==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-MAY-05 2CUZ . COMPND 2 MOLECULE: GLUTAMYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR S.SEKINE,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 469 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 68.2 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 . 4 0.9 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 . 25 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 38.6 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 1 2 2 0 5 0 1 4 0 1 0 0 0 0 0 0 1 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 0 163 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 131.8 44.1 23.6 1.8 2 2 A V - 0 0 15 30,-0.4 33,-2.6 27,-0.2 2,-0.4 -0.427 360.0-175.3 -71.0 134.8 40.4 24.0 2.6 3 3 A V E +a 35 0A 18 31,-0.2 198,-1.9 -2,-0.2 199,-1.8 -0.980 6.6 173.5-133.8 120.4 39.4 23.2 6.2 4 4 A T E -a 36 0A 0 31,-2.6 33,-2.7 -2,-0.4 2,-0.3 -0.748 8.5-162.9-118.1 165.6 35.8 23.3 7.3 5 5 A R E -a 37 0A 0 197,-0.4 2,-0.4 -2,-0.3 199,-0.3 -0.984 20.6-143.8-147.2 162.2 34.0 22.3 10.5 6 6 A I E -a 38 0A 5 31,-2.0 33,-2.3 -2,-0.3 199,-0.1 -0.952 19.9-166.3-116.4 140.7 30.7 21.4 12.0 7 7 A A - 0 0 4 -2,-0.4 33,-0.1 31,-0.2 31,-0.1 -0.489 11.7-177.8-134.1 69.0 30.4 22.8 15.6 8 8 A P - 0 0 2 0, 0.0 33,-2.8 0, 0.0 -2,-0.0 -0.288 22.4-137.8 -71.0 146.8 27.4 21.2 17.4 9 9 A S - 0 0 35 31,-0.2 2,-2.0 33,-0.1 3,-0.3 -0.919 16.4-136.9-103.0 122.7 26.3 21.9 20.9 10 10 A P + 0 0 2 0, 0.0 39,-2.0 0, 0.0 43,-0.2 -0.462 66.2 118.1 -81.9 71.8 25.3 18.8 22.8 11 11 A T S S- 0 0 62 -2,-2.0 2,-0.3 37,-0.2 31,-0.0 0.268 77.2 -14.3-118.7 9.1 22.2 20.2 24.4 12 12 A G S S- 0 0 25 -3,-0.3 37,-0.1 37,-0.2 3,-0.1 -0.922 99.7 -23.2-176.6-159.1 19.5 18.0 22.9 13 13 A D S S- 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.383 82.0 -84.3 -69.7 152.8 18.6 15.4 20.3 14 14 A P - 0 0 0 0, 0.0 239,-3.2 0, 0.0 240,-0.5 -0.477 55.7-133.2 -62.5 119.1 20.8 15.5 17.2 15 15 A H B >> -C 252 0B 70 -2,-0.3 3,-1.5 237,-0.2 4,-1.3 -0.570 8.5-136.5 -82.3 135.8 19.1 18.2 15.1 16 16 A V H 3> S+ 0 0 0 235,-3.1 4,-2.1 -2,-0.3 5,-0.1 0.829 106.7 62.4 -58.6 -29.0 18.3 17.8 11.4 17 17 A G H 3> S+ 0 0 15 234,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.809 98.2 55.2 -68.4 -26.2 19.6 21.4 11.0 18 18 A T H <> S+ 0 0 25 -3,-1.5 4,-3.1 2,-0.2 -1,-0.2 0.904 107.7 48.7 -72.3 -36.2 23.0 20.2 12.2 19 19 A A H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.896 109.4 53.7 -67.5 -38.4 23.1 17.5 9.5 20 20 A Y H X S+ 0 0 6 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.954 115.1 39.0 -60.8 -50.3 22.1 20.1 6.9 21 21 A I H X S+ 0 0 19 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.920 115.0 54.1 -66.3 -43.2 25.0 22.4 7.8 22 22 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.914 104.3 56.9 -57.1 -44.6 27.3 19.4 8.3 23 23 A L H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.893 108.2 44.1 -56.1 -45.8 26.5 18.1 4.8 24 24 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.868 113.2 51.9 -72.9 -31.4 27.6 21.3 3.0 25 25 A N H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.931 112.8 45.2 -66.3 -44.0 30.7 21.6 5.2 26 26 A Y H X S+ 0 0 28 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.951 114.3 49.2 -62.5 -48.8 31.7 18.0 4.3 27 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.921 110.4 49.2 -61.1 -45.6 30.9 18.6 0.6 28 28 A W H X S+ 0 0 39 -4,-2.6 4,-1.0 1,-0.2 6,-0.2 0.899 114.4 46.2 -62.9 -38.9 32.9 21.8 0.3 29 29 A A H <>S+ 0 0 0 -4,-2.0 5,-2.7 -5,-0.2 3,-0.4 0.964 114.9 45.2 -68.2 -48.5 35.9 20.2 2.0 30 30 A R H ><5S+ 0 0 66 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.905 108.8 55.3 -61.7 -42.3 35.8 17.0 -0.1 31 31 A R H 3<5S+ 0 0 131 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 114.3 43.7 -59.7 -27.9 35.3 18.9 -3.4 32 32 A N T 3<5S- 0 0 70 -4,-1.0 -30,-0.4 -3,-0.4 -1,-0.3 0.321 112.7-115.7-101.6 7.8 38.4 20.8 -2.5 33 33 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.709 77.8 121.6 67.2 18.1 40.6 17.8 -1.3 34 34 A G < - 0 0 7 -5,-2.7 2,-0.3 -6,-0.2 -31,-0.2 0.064 62.6 -79.8 -96.1-153.8 40.6 19.4 2.1 35 35 A R E -a 3 0A 87 -33,-2.6 -31,-2.6 -3,-0.1 2,-0.5 -0.888 21.8-160.0-120.6 146.8 39.6 18.5 5.6 36 36 A F E -a 4 0A 0 -2,-0.3 32,-3.4 -33,-0.2 33,-0.5 -0.991 22.1-174.2-124.3 118.4 36.3 18.4 7.5 37 37 A I E -ab 5 69A 0 -33,-2.7 -31,-2.0 -2,-0.5 2,-0.5 -0.763 20.6-134.1-119.7 163.7 36.4 18.5 11.3 38 38 A V E -a 6 0A 0 31,-2.6 2,-0.5 -2,-0.3 -31,-0.2 -0.965 17.7-178.3-116.9 123.7 34.1 18.2 14.3 39 39 A R - 0 0 0 -33,-2.3 2,-0.5 -2,-0.5 42,-0.2 -0.980 19.1-143.6-122.3 121.7 34.3 20.6 17.3 40 40 A I B -d 81 0C 1 40,-2.7 42,-2.8 -2,-0.5 2,-1.1 -0.710 5.5-157.5 -85.4 122.6 31.9 20.0 20.2 41 41 A E + 0 0 12 -33,-2.8 3,-0.2 -2,-0.5 40,-0.1 -0.767 34.5 148.9-102.6 88.2 30.8 23.3 21.7 42 42 A D + 0 0 8 -2,-1.1 -1,-0.1 -33,-0.2 6,-0.1 -0.109 23.1 115.1-117.2 35.9 29.8 22.0 25.2 43 43 A T + 0 0 24 1,-0.1 2,-2.2 2,-0.1 3,-0.2 0.580 49.7 95.4 -80.1 -12.0 30.4 24.9 27.6 44 44 A D > + 0 0 48 -3,-0.2 4,-1.3 1,-0.2 3,-0.5 -0.541 50.1 175.9 -80.9 80.2 26.7 25.3 28.5 45 45 A R T 4 S+ 0 0 110 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.735 76.4 59.0 -57.6 -21.8 27.0 23.1 31.6 46 46 A A T 4 S+ 0 0 94 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.916 112.5 35.1 -74.7 -43.8 23.4 24.0 32.2 47 47 A R T 4 S+ 0 0 171 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.488 86.4 131.4 -90.9 -0.5 22.1 22.6 28.9 48 48 A Y < - 0 0 84 -4,-1.3 -37,-0.2 -6,-0.1 -6,-0.0 -0.264 39.5-162.7 -57.3 126.4 24.5 19.7 28.7 49 49 A V > - 0 0 54 -39,-2.0 3,-2.7 -37,-0.1 4,-0.4 -0.936 20.5-125.9-116.5 112.5 22.7 16.4 28.0 50 50 A P T 3 S+ 0 0 103 0, 0.0 -39,-0.0 0, 0.0 -2,-0.0 -0.347 99.2 19.7 -56.8 120.4 24.8 13.2 28.7 51 51 A G T 3> S+ 0 0 26 -2,-0.1 4,-2.0 -41,-0.0 5,-0.1 0.214 94.9 106.1 103.1 -13.5 24.8 11.1 25.6 52 52 A A H <> S+ 0 0 0 -3,-2.7 4,-1.9 -42,-0.2 5,-0.2 0.851 78.0 50.4 -67.4 -37.6 24.0 14.1 23.4 53 53 A E H > S+ 0 0 9 -4,-0.4 4,-2.5 -43,-0.2 5,-0.2 0.956 112.1 48.4 -65.3 -47.8 27.5 14.4 22.0 54 54 A E H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.860 110.2 51.1 -61.2 -37.2 27.6 10.7 21.2 55 55 A R H X S+ 0 0 80 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.893 110.6 47.8 -68.9 -39.8 24.2 10.8 19.5 56 56 A I H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.932 113.8 47.6 -66.0 -43.1 25.1 13.7 17.2 57 57 A L H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.930 113.5 48.0 -61.7 -43.1 28.4 12.0 16.3 58 58 A A H X S+ 0 0 47 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.905 109.7 54.0 -62.7 -44.0 26.6 8.7 15.6 59 59 A A H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 106.5 50.2 -59.9 -42.7 24.0 10.6 13.5 60 60 A L H <>S+ 0 0 1 -4,-2.2 5,-2.6 1,-0.2 -1,-0.2 0.910 114.5 45.2 -64.3 -39.5 26.6 12.2 11.3 61 61 A K H ><5S+ 0 0 101 -4,-1.9 3,-1.8 3,-0.2 -2,-0.2 0.893 106.8 58.1 -70.5 -38.1 28.2 8.8 10.7 62 62 A W H 3<5S+ 0 0 60 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.926 109.1 46.6 -56.4 -41.2 24.8 7.2 10.1 63 63 A L T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.430 120.1-111.0 -81.9 3.9 24.3 9.7 7.3 64 64 A G T < 5S+ 0 0 35 -3,-1.8 2,-1.5 1,-0.1 -3,-0.2 0.636 70.8 140.7 79.0 13.4 27.9 9.0 5.9 65 65 A L < - 0 0 2 -5,-2.6 -1,-0.1 -6,-0.2 -3,-0.1 -0.464 34.0-170.6 -89.6 65.9 29.4 12.4 6.8 66 66 A S - 0 0 70 -2,-1.5 2,-0.3 -5,-0.1 -30,-0.1 -0.194 4.0-154.5 -59.2 143.2 32.8 11.1 7.9 67 67 A Y - 0 0 16 1,-0.1 -30,-0.2 -32,-0.1 3,-0.1 -0.871 15.0-143.8-122.5 160.5 35.0 13.7 9.6 68 68 A D S S+ 0 0 37 -32,-3.4 2,-0.3 -2,-0.3 -31,-0.2 0.613 81.9 22.0 -99.6 -17.5 38.8 13.9 9.9 69 69 A E B S+b 37 0A 6 -33,-0.5 -31,-2.6 6,-0.1 6,-0.2 -0.980 75.5 120.8-147.8 145.8 39.4 15.3 13.4 70 70 A G B > S-E 74 0D 0 4,-1.9 4,-2.0 -2,-0.3 -31,-0.1 -0.980 70.2 -66.7 175.1-179.9 37.1 15.3 16.4 71 71 A P T 4 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 0.878 128.7 32.3 -60.0 -41.2 36.6 14.2 20.0 72 72 A D T 4 S+ 0 0 82 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 0.898 125.4 39.8 -86.5 -39.2 36.6 10.5 19.3 73 73 A V T 4 S- 0 0 84 1,-0.2 -1,-0.1 0, 0.0 2,-0.1 0.704 98.7-150.1 -81.7 -16.6 39.0 10.3 16.3 74 74 A G B < -E 70 0D 27 -4,-2.0 -4,-1.9 3,-0.0 -1,-0.2 -0.391 15.1-162.4 76.9-161.9 41.3 12.8 17.9 75 75 A G > - 0 0 44 -6,-0.2 3,-0.7 -4,-0.1 -6,-0.1 -0.883 34.3 -82.2 159.0 169.1 43.5 15.1 15.7 76 76 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.523 118.0 43.1 -79.0 -5.2 46.5 17.4 15.6 77 77 A H T 3 S+ 0 0 90 121,-0.1 -8,-0.0 -3,-0.0 -3,-0.0 -0.080 98.9 141.7-132.4 37.4 44.9 20.5 17.0 78 78 A G < + 0 0 33 -3,-0.7 2,-0.2 -8,-0.1 -39,-0.0 -0.051 48.0 120.5 -84.3-169.3 42.7 19.3 19.8 79 79 A P - 0 0 58 0, 0.0 5,-0.0 0, 0.0 6,-0.0 0.545 52.3-162.4 -59.4 158.7 41.2 19.0 22.4 80 80 A Y + 0 0 6 -2,-0.2 -40,-2.7 -10,-0.1 2,-0.5 0.249 65.8 77.5-104.3 11.3 38.1 19.0 20.3 81 81 A R B > S-d 40 0C 59 -42,-0.2 3,-2.0 -11,-0.1 -40,-0.2 -0.983 73.2-143.8-116.5 126.7 35.5 19.7 23.1 82 82 A Q G > S+ 0 0 4 -42,-2.8 3,-2.1 -2,-0.5 4,-0.2 0.824 99.3 69.4 -63.2 -24.9 35.4 23.4 24.1 83 83 A S G 3 S+ 0 0 34 -43,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.688 98.0 54.5 -63.5 -14.9 34.9 22.2 27.8 84 84 A E G < S+ 0 0 92 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.304 105.7 49.9-100.5 7.0 38.5 21.0 27.5 85 85 A R X> + 0 0 9 -3,-2.1 3,-1.8 -4,-0.1 4,-1.3 0.190 63.9 124.8-129.6 19.5 40.0 24.4 26.4 86 86 A L H 3> S+ 0 0 32 -3,-0.3 4,-1.7 1,-0.3 5,-0.1 0.813 73.9 58.3 -48.7 -35.8 38.5 26.7 29.0 87 87 A P H 3> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.809 100.6 56.5 -66.4 -31.1 42.0 27.9 29.9 88 88 A L H <> S+ 0 0 57 -3,-1.8 4,-2.3 2,-0.2 5,-0.2 0.927 105.5 49.0 -67.5 -45.4 42.7 29.0 26.3 89 89 A Y H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.926 110.9 51.1 -61.7 -41.4 39.7 31.4 26.2 90 90 A Q H X S+ 0 0 69 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.936 112.2 46.7 -61.7 -44.7 40.7 33.0 29.5 91 91 A K H X S+ 0 0 148 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.845 113.5 47.5 -66.2 -35.1 44.3 33.5 28.3 92 92 A Y H X S+ 0 0 58 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.880 109.7 53.3 -74.7 -33.8 43.1 35.0 25.0 93 93 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 108.4 50.7 -63.7 -42.5 40.6 37.2 26.8 94 94 A E H X S+ 0 0 94 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.875 105.8 56.0 -62.7 -35.7 43.5 38.5 28.9 95 95 A E H X S+ 0 0 64 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.876 105.4 51.5 -63.1 -36.8 45.5 39.2 25.7 96 96 A L H X>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 4,-0.9 0.904 106.6 54.3 -66.0 -39.8 42.6 41.4 24.5 97 97 A L H ><5S+ 0 0 32 -4,-1.9 3,-1.0 4,-0.2 -2,-0.2 0.941 107.1 51.5 -57.6 -46.1 42.7 43.3 27.7 98 98 A K H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 109.9 48.6 -64.2 -26.8 46.5 43.9 27.2 99 99 A R H 3<5S- 0 0 124 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.555 115.4-110.9 -91.1 -7.2 45.9 45.3 23.7 100 100 A G T <<5S+ 0 0 35 -3,-1.0 -3,-0.2 -4,-0.9 -2,-0.1 0.628 90.7 112.0 87.3 14.4 43.1 47.6 24.7 101 101 A W S - 0 0 61 1,-0.1 4,-2.5 36,-0.0 5,-0.2 -0.339 31.8-102.4 -78.9 166.1 25.4 43.5 38.7 109 109 A P H > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.868 123.8 55.6 -61.1 -33.9 22.3 42.1 36.9 110 110 A E H > S+ 0 0 142 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.921 109.8 46.2 -63.8 -41.8 20.1 44.8 38.6 111 111 A E H > S+ 0 0 93 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.947 110.5 51.9 -64.7 -48.4 22.4 47.5 37.2 112 112 A L H X S+ 0 0 53 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.888 109.3 51.5 -57.2 -38.1 22.6 46.0 33.7 113 113 A E H X S+ 0 0 84 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.910 111.0 46.6 -67.0 -40.8 18.7 45.9 33.7 114 114 A Q H X S+ 0 0 91 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.921 114.8 47.5 -65.6 -42.3 18.5 49.6 34.7 115 115 A I H X>S+ 0 0 2 -4,-3.0 4,-3.5 1,-0.2 5,-0.6 0.891 108.9 54.1 -65.8 -38.9 21.1 50.6 32.1 116 116 A R H X5S+ 0 0 121 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.854 112.6 44.2 -62.5 -35.6 19.4 48.5 29.4 117 117 A K H <5S+ 0 0 146 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.867 118.7 43.1 -76.9 -37.9 16.2 50.5 30.2 118 118 A E H <5S+ 0 0 105 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.931 132.9 17.2 -73.0 -48.3 17.9 53.8 30.3 119 119 A K H <5S- 0 0 123 -4,-3.5 -3,-0.2 2,-0.2 -2,-0.2 0.611 99.3-114.3-103.0 -19.0 20.2 53.4 27.3 120 120 A G S < + 0 0 5 51,-0.1 3,-2.5 1,-0.1 4,-0.3 0.637 63.2 148.8 72.4 16.5 30.2 50.7 27.8 125 125 A R G > + 0 0 89 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.770 62.2 69.0 -56.4 -26.5 30.5 52.9 30.9 126 126 A A G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.658 80.0 77.4 -67.3 -14.7 33.1 50.5 32.4 127 127 A R G < S+ 0 0 65 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.783 87.5 61.9 -64.3 -20.0 35.5 51.6 29.8 128 128 A N G < S+ 0 0 142 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.384 76.8 105.3 -88.9 8.7 36.0 54.7 31.9 129 129 A I S < S- 0 0 34 -3,-1.7 -25,-0.1 -25,-0.1 5,-0.0 -0.713 89.2-103.1 -84.5 134.9 37.3 52.9 34.9 130 130 A P >> - 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0 0 2 -68,-3.3 2,-0.7 -2,-0.5 -35,-0.0 -0.756 25.0-169.1 -86.9 100.4 12.0 21.0 4.8 306 306 A D > - 0 0 52 -2,-1.1 4,-2.2 1,-0.1 3,-0.5 -0.823 21.7-162.3-101.5 106.7 8.9 19.0 3.6 307 307 A L H > S+ 0 0 57 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.817 93.4 57.7 -51.3 -34.6 8.1 15.7 5.3 308 308 A E H > S+ 0 0 149 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 108.3 42.9 -65.5 -45.4 5.9 14.8 2.3 309 309 A K H > S+ 0 0 62 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.874 114.2 53.0 -70.7 -32.1 8.6 15.2 -0.2 310 310 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.921 108.9 48.2 -66.7 -46.3 11.1 13.3 2.1 311 311 A R H X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.914 110.4 53.3 -60.7 -39.1 8.6 10.4 2.5 312 312 A W H X S+ 0 0 99 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.919 110.6 46.1 -60.7 -42.3 8.3 10.4 -1.3 313 313 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.883 109.8 53.4 -68.6 -37.1 12.0 10.2 -1.7 314 314 A N H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.928 109.9 49.1 -62.5 -44.0 12.3 7.5 0.9 315 315 A G H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.919 108.3 52.9 -61.2 -44.6 9.7 5.5 -1.1 316 316 A K H X>S+ 0 0 45 -4,-2.2 4,-1.5 1,-0.2 5,-0.8 0.849 111.4 47.4 -61.2 -34.2 11.6 6.0 -4.3 317 317 A Y H X>S+ 0 0 11 -4,-2.0 5,-2.9 3,-0.2 4,-0.8 0.909 110.5 51.8 -72.8 -42.7 14.7 4.7 -2.7 318 318 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.931 124.2 25.7 -60.8 -44.0 12.9 1.7 -1.2 319 319 A R H <5S+ 0 0 78 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.523 135.6 23.5-103.6 -0.2 11.4 0.6 -4.5 320 320 A E H <5S+ 0 0 122 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.602 124.0 37.7-133.3 -23.6 13.8 2.0 -7.2 321 321 A V T < - 0 0 47 1,-0.1 4,-2.0 -2,-0.0 3,-0.2 -0.526 30.3-107.1 -89.3 166.9 17.6 -4.0 -4.4 324 324 A L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.934 121.0 52.3 -59.6 -46.4 14.9 -6.3 -2.9 325 325 A E H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.817 107.7 51.8 -60.6 -31.6 17.5 -8.1 -0.8 326 326 A E H > S+ 0 0 95 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.889 108.4 50.0 -73.4 -37.5 18.8 -4.8 0.6 327 327 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.902 109.2 54.1 -65.7 -37.3 15.3 -3.7 1.6 328 328 A A H X S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.911 107.7 48.6 -63.2 -42.4 14.9 -7.1 3.3 329 329 A E H >< S+ 0 0 108 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.941 110.7 53.4 -63.7 -40.7 18.1 -6.6 5.3 330 330 A R H 3< S+ 0 0 67 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.783 103.4 53.1 -67.5 -28.3 16.9 -3.1 6.3 331 331 A V H >X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.2 3,-0.5 0.720 87.5 84.9 -80.8 -16.6 13.5 -4.1 7.7 332 332 A K H S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.887 113.7 48.5 -57.7 -32.8 15.8 -4.3 12.9 334 334 A F H <> S+ 0 0 26 -3,-0.5 4,-1.2 -4,-0.4 -2,-0.2 0.841 109.0 50.0 -75.9 -34.3 12.2 -3.1 12.6 335 335 A L H <>S+ 0 0 0 -4,-2.4 5,-2.1 2,-0.2 3,-0.5 0.949 111.9 49.7 -67.5 -45.0 10.6 -6.6 12.6 336 336 A R H ><5S+ 0 0 150 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.910 108.5 52.2 -57.1 -45.1 12.6 -7.5 15.7 337 337 A E H 3<5S+ 0 0 134 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.797 108.6 51.0 -61.2 -30.7 11.5 -4.2 17.4 338 338 A A T 3<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.338 121.0-113.9 -87.8 6.2 7.9 -5.2 16.6 339 339 A G T < 5S+ 0 0 62 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.919 71.0 136.0 62.9 45.8 8.7 -8.6 18.1 340 340 A L < - 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