==== 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 LIGASE 02-MAR-01 1I6M . COMPND 2 MOLECULE: TRYPTOPHANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.RETAILLEAU,C.W.CARTER . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 2 1 1 3 0 0 2 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 1 1 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 3 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 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 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 0 146 0, 0.0 32,-0.1 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 179.7 75.3 22.0 50.0 2 2 A K - 0 0 115 30,-0.4 32,-3.0 1,-0.1 2,-0.4 -0.222 360.0-118.9 -76.2 165.1 71.8 23.4 50.5 3 3 A T E -a 34 0A 18 134,-0.3 137,-2.3 30,-0.2 136,-1.5 -0.905 21.7-162.4-114.4 142.1 68.8 21.1 50.0 4 4 A I E -ab 35 140A 0 30,-3.5 32,-2.2 -2,-0.4 2,-0.4 -0.942 7.8-179.7-123.2 141.4 66.0 21.4 47.5 5 5 A F E +a 36 0A 5 135,-1.6 2,-0.3 -2,-0.4 32,-0.2 -0.989 9.5 156.3-133.2 143.9 62.6 19.8 47.5 6 6 A S E -a 37 0A 3 30,-2.0 32,-2.3 -2,-0.4 2,-0.3 -0.993 16.5-158.2-162.4 153.0 59.8 20.0 45.1 7 7 A G E -a 38 0A 33 -2,-0.3 2,-0.3 30,-0.2 32,-0.2 -0.954 7.6-163.3-137.6 159.0 56.8 18.0 44.0 8 8 A I E -a 39 0A 16 30,-2.2 32,-1.9 -2,-0.3 -2,-0.0 -0.992 27.3-120.8-136.7 136.9 54.3 17.5 41.2 9 9 A Q - 0 0 23 -2,-0.3 2,-0.3 30,-0.2 32,-0.1 -0.654 29.1-118.9 -77.4 140.8 51.0 15.7 41.3 10 10 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 48,-0.2 -0.585 54.6 152.2 -78.3 123.8 50.6 12.7 39.0 11 11 A S - 0 0 16 -2,-0.3 3,-0.1 46,-0.3 38,-0.0 -0.969 61.3 -99.9-149.1 167.4 47.8 13.6 36.6 12 12 A G S S+ 0 0 60 -2,-0.3 2,-0.4 1,-0.2 184,-0.0 0.726 109.7 47.7 -63.1 -20.9 46.5 13.0 33.1 13 13 A V + 0 0 24 192,-0.1 2,-0.5 193,-0.0 -1,-0.2 -0.951 55.1 177.9-130.6 120.7 48.0 16.3 32.0 14 14 A I - 0 0 12 -2,-0.4 192,-2.3 -3,-0.1 193,-0.3 -0.988 29.5-155.8-115.3 121.1 51.5 17.7 32.6 15 15 A T B > -E 205 0B 2 -2,-0.5 4,-1.9 190,-0.3 190,-0.2 -0.393 33.5-110.5 -95.6 171.1 51.7 21.1 30.8 16 16 A I H > S+ 0 0 3 188,-2.1 4,-2.8 1,-0.2 5,-0.2 0.755 121.0 63.8 -71.7 -19.4 54.4 23.3 29.4 17 17 A G H > S+ 0 0 14 187,-0.3 4,-2.8 2,-0.2 5,-0.4 0.937 103.1 47.1 -65.8 -47.6 53.4 25.6 32.4 18 18 A N H >>S+ 0 0 48 1,-0.2 5,-1.9 2,-0.2 4,-1.7 0.876 114.8 48.1 -55.1 -45.6 54.7 22.7 34.7 19 19 A Y H <>S+ 0 0 39 -4,-1.9 5,-2.9 3,-0.2 6,-0.3 0.954 116.3 40.0 -59.3 -55.6 57.8 22.5 32.6 20 20 A I H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.897 121.8 40.4 -65.6 -40.3 58.6 26.2 32.5 21 21 A G H <5S- 0 0 4 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.843 137.6 -2.0 -80.1 -29.3 57.7 27.0 36.2 22 22 A A T >X5S+ 0 0 13 -4,-1.7 4,-2.0 -5,-0.4 3,-0.7 0.744 120.9 53.0-126.3 -76.2 59.2 23.9 37.7 23 23 A L H 3> S+ 0 0 2 -3,-0.7 4,-2.9 -6,-0.3 5,-0.2 0.903 107.8 55.9 -63.9 -42.7 64.4 24.7 37.4 26 26 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.909 110.4 44.6 -57.1 -45.2 64.9 21.1 38.7 27 27 A V H < S+ 0 0 52 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.942 114.0 51.5 -66.6 -41.6 67.2 20.3 35.8 28 28 A E H < S+ 0 0 105 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.902 118.6 34.1 -59.1 -48.2 69.0 23.6 36.3 29 29 A L H >X S+ 0 0 10 -4,-2.9 3,-1.5 1,-0.2 4,-1.0 0.642 87.6 96.0 -88.9 -17.5 69.7 23.1 40.0 30 30 A Q T 3< S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.3 5,-0.2 0.720 85.9 47.8 -49.3 -32.6 70.2 19.4 40.4 31 31 A H T 34 S+ 0 0 119 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.735 112.3 49.3 -82.2 -20.7 74.0 19.5 40.3 32 32 A E T <4 S+ 0 0 117 -3,-1.5 -30,-0.4 -4,-0.2 2,-0.3 0.534 113.0 36.9 -93.0 -12.7 74.4 22.3 42.8 33 33 A Y S < S- 0 0 60 -4,-1.0 2,-0.6 -32,-0.1 -30,-0.2 -0.901 86.0 -97.6-134.8 168.4 72.1 21.1 45.6 34 34 A N E -a 3 0A 68 -32,-3.0 -30,-3.5 -2,-0.3 2,-0.4 -0.774 57.2-159.4 -82.5 126.7 71.0 18.0 47.5 35 35 A C E -a 4 0A 5 -2,-0.6 41,-3.0 39,-0.5 2,-0.5 -0.956 27.4-178.6-126.0 128.5 67.7 17.4 45.6 36 36 A Y E -ac 5 76A 13 -32,-2.2 -30,-2.0 -2,-0.4 2,-0.5 -0.989 9.1-175.5-119.2 127.7 64.5 15.6 46.4 37 37 A F E -ac 6 77A 0 39,-2.8 41,-2.0 -2,-0.5 2,-0.3 -0.987 13.4-159.9-129.1 122.1 61.8 15.5 43.7 38 38 A C E -ac 7 78A 0 -32,-2.3 -30,-2.2 -2,-0.5 2,-0.8 -0.838 26.1-142.9-115.6 146.6 58.6 13.9 44.5 39 39 A I E -ac 8 79A 0 39,-2.5 41,-2.7 -2,-0.3 2,-1.8 -0.937 28.9-149.3-102.2 102.5 55.6 12.4 42.8 40 40 A V > + 0 0 6 -32,-1.9 4,-1.9 -2,-0.8 3,-0.2 -0.519 37.1 154.1 -78.3 64.3 52.8 13.6 45.2 41 41 A D H > S+ 0 0 18 -2,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.819 71.8 57.6 -67.7 -28.5 50.3 10.7 44.8 42 42 A Q H 4 S+ 0 0 53 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.852 108.8 46.8 -69.8 -30.6 48.9 11.3 48.3 43 43 A H H >4 S+ 0 0 2 -3,-0.2 3,-1.9 1,-0.2 4,-0.2 0.838 104.7 62.4 -75.0 -35.0 48.1 14.9 47.3 44 44 A A H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.882 96.2 58.2 -55.5 -41.5 46.6 13.6 44.1 45 45 A I T 3< S+ 0 0 102 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.392 73.2 96.0 -71.8 6.4 44.0 11.7 46.0 46 46 A T T < S+ 0 0 16 -3,-1.9 76,-0.4 75,-0.1 2,-0.3 0.688 97.3 37.5 -70.5 -9.0 42.6 14.9 47.6 47 47 A V S < S- 0 0 55 -3,-1.3 0, 0.0 -4,-0.2 0, 0.0 -0.952 117.4 -79.0-133.3 151.1 40.2 14.7 44.7 48 48 A W - 0 0 206 -2,-0.3 2,-0.4 1,-0.0 -2,-0.1 -0.228 49.4-169.4 -52.1 136.2 38.8 11.4 43.3 49 49 A Q - 0 0 39 -4,-0.1 3,-0.1 -38,-0.0 -1,-0.0 -0.994 28.8-120.0-129.8 134.0 41.2 9.5 41.1 50 50 A D > - 0 0 65 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.620 30.7-137.2 -68.7 124.9 40.4 6.5 38.9 51 51 A P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.907 99.5 49.3 -57.4 -41.7 42.8 4.0 40.5 52 52 A H H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.919 114.2 45.1 -63.8 -45.1 44.0 2.5 37.2 53 53 A E H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.871 111.6 54.1 -65.3 -41.1 44.7 6.0 35.7 54 54 A L H X S+ 0 0 25 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.971 107.8 48.4 -56.9 -54.2 46.4 7.1 39.0 55 55 A R H X S+ 0 0 186 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.936 116.2 44.8 -52.2 -50.0 48.8 4.1 38.9 56 56 A Q H X S+ 0 0 59 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.901 111.5 52.6 -61.2 -41.4 49.6 4.9 35.2 57 57 A N H X S+ 0 0 7 -4,-2.8 4,-2.3 2,-0.2 -46,-0.3 0.850 105.8 54.1 -67.0 -30.6 49.9 8.7 35.8 58 58 A I H X S+ 0 0 18 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.941 112.0 43.8 -68.0 -44.4 52.4 8.1 38.6 59 59 A R H X S+ 0 0 53 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.931 113.7 52.8 -64.4 -44.6 54.6 6.0 36.2 60 60 A R H X S+ 0 0 78 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.888 109.6 47.0 -55.5 -49.3 54.1 8.6 33.5 61 61 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.897 109.6 52.5 -62.7 -39.5 55.2 11.4 35.7 62 62 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.942 112.1 48.2 -60.5 -43.3 58.3 9.5 36.9 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.900 111.5 49.2 -62.9 -40.9 59.1 9.0 33.1 64 64 A L H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.906 107.8 53.3 -66.3 -41.7 58.6 12.7 32.4 65 65 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 4,-0.5 0.962 115.9 40.8 -56.3 -50.2 60.9 13.7 35.3 66 66 A L H ><5S+ 0 0 8 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.888 113.0 55.6 -65.9 -40.9 63.6 11.3 33.8 67 67 A A H 3<5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.871 103.3 52.3 -60.4 -37.2 62.9 12.5 30.2 68 68 A V T 3<5S- 0 0 11 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.627 131.4 -91.8 -76.5 -12.3 63.4 16.1 30.9 69 69 A G T < 5 + 0 0 32 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.2 0.527 65.9 157.2 120.5 3.0 66.8 15.2 32.5 70 70 A I < - 0 0 5 -5,-2.1 -1,-0.3 -6,-0.2 -43,-0.1 -0.454 34.2-146.3 -61.1 129.0 66.5 14.6 36.2 71 71 A D >> - 0 0 63 -2,-0.2 3,-2.2 1,-0.1 4,-1.7 -0.901 11.5-149.1-109.8 118.1 69.5 12.5 36.9 72 72 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.493 98.7 58.5 -61.4 -8.9 69.2 9.9 39.6 73 73 A T T 34 S+ 0 0 108 1,-0.1 3,-0.1 3,-0.1 -3,-0.0 0.541 116.8 34.7 -93.5 -11.2 72.9 10.2 40.5 74 74 A Q T <4 S+ 0 0 61 -3,-2.2 -39,-0.5 1,-0.2 2,-0.3 0.549 125.0 29.2-107.7 -27.2 72.3 13.9 41.2 75 75 A A S < S- 0 0 7 -4,-1.7 2,-0.7 -41,-0.1 -1,-0.2 -0.957 70.4-121.1-139.0 160.6 68.8 13.8 42.7 76 76 A T E -c 36 0A 20 -41,-3.0 -39,-2.8 -2,-0.3 2,-0.5 -0.906 27.7-170.3-106.9 114.1 66.5 11.6 44.6 77 77 A L E +c 37 0A 2 -2,-0.7 226,-0.3 222,-0.2 2,-0.3 -0.900 21.9 151.1-105.6 123.8 63.2 10.9 42.7 78 78 A F E -c 38 0A 0 -41,-2.0 -39,-2.5 -2,-0.5 2,-0.5 -0.952 46.8-103.9-152.6 165.4 60.5 9.2 44.7 79 79 A I E > -c 39 0A 11 -2,-0.3 3,-1.8 221,-0.3 4,-0.2 -0.843 27.4-136.7 -94.9 122.7 56.8 8.6 45.2 80 80 A Q G > S+ 0 0 0 -41,-2.7 3,-1.9 -2,-0.5 6,-0.3 0.887 101.1 53.8 -42.6 -51.2 55.3 10.4 48.2 81 81 A S G 3 S+ 0 0 54 -42,-0.4 -1,-0.3 1,-0.3 -41,-0.1 0.643 96.6 66.2 -63.5 -21.2 53.2 7.3 49.4 82 82 A E G < S+ 0 0 86 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.496 94.0 64.0 -83.1 2.3 56.3 5.1 49.5 83 83 A V X - 0 0 0 -3,-1.9 3,-1.9 -4,-0.2 4,-0.5 -0.898 69.0-165.4-127.2 96.6 57.7 7.2 52.4 84 84 A P T 3> S+ 0 0 77 0, 0.0 4,-2.0 0, 0.0 3,-0.4 0.750 78.7 78.1 -55.5 -25.1 55.4 6.8 55.4 85 85 A A H 3> S+ 0 0 2 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.773 84.8 61.9 -56.3 -31.9 57.1 9.8 57.1 86 86 A H H <> S+ 0 0 0 -3,-1.9 4,-2.2 -6,-0.3 -1,-0.3 0.963 107.4 41.7 -61.6 -54.0 55.1 12.2 54.9 87 87 A A H > S+ 0 0 46 -4,-0.5 4,-1.7 -3,-0.4 -2,-0.2 0.866 116.8 50.6 -55.9 -42.8 51.8 11.0 56.3 88 88 A Q H X S+ 0 0 82 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.936 113.6 42.3 -65.6 -47.0 53.2 10.9 59.9 89 89 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.853 109.9 59.5 -68.8 -31.2 54.7 14.4 59.8 90 90 A A H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.898 104.1 50.3 -64.8 -38.3 51.5 15.7 58.1 91 91 A W H X S+ 0 0 157 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.958 111.0 48.4 -63.7 -51.9 49.4 14.5 61.1 92 92 A M H X S+ 0 0 6 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.920 114.2 46.5 -52.5 -47.5 51.7 16.3 63.6 93 93 A L H >X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 3,-1.1 0.884 106.1 57.8 -65.2 -34.5 51.6 19.5 61.5 94 94 A Q H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 101.5 58.7 -60.8 -31.0 47.8 19.2 61.1 95 95 A C H 3< S+ 0 0 73 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.702 111.6 40.4 -76.7 -14.0 47.6 19.3 65.0 96 96 A I H << S+ 0 0 2 -3,-1.1 2,-0.2 -4,-0.6 -1,-0.2 0.551 97.7 84.8-110.9 -3.9 49.4 22.6 65.0 97 97 A V S < S- 0 0 14 -4,-1.2 2,-0.4 -3,-0.2 3,-0.0 -0.643 77.1-124.6 -93.5 149.6 47.7 24.5 62.1 98 98 A Y >> - 0 0 124 -2,-0.2 4,-1.4 1,-0.1 3,-1.0 -0.773 13.8-124.2 -93.2 148.0 44.4 26.3 62.7 99 99 A I H 3> S+ 0 0 113 -2,-0.4 4,-2.2 1,-0.3 3,-0.4 0.899 112.5 56.2 -53.6 -42.7 41.4 25.5 60.6 100 100 A G H 3> S+ 0 0 45 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.824 101.8 56.5 -62.4 -30.5 41.1 29.2 59.7 101 101 A E H <4 S+ 0 0 37 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.884 110.4 44.7 -67.9 -37.0 44.6 29.1 58.3 102 102 A L H >< S+ 0 0 6 -4,-1.4 3,-1.3 -3,-0.4 -2,-0.2 0.859 107.9 57.6 -72.4 -40.9 43.6 26.3 56.0 103 103 A E H 3< S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.698 101.5 55.8 -63.0 -25.0 40.3 27.8 54.9 104 104 A R T 3< S+ 0 0 149 -4,-0.9 -1,-0.3 -3,-0.2 2,-0.2 0.383 76.5 118.9 -91.6 2.6 42.0 31.0 53.6 105 105 A M <> - 0 0 2 -3,-1.3 4,-2.5 1,-0.2 5,-0.1 -0.499 60.1-146.7 -68.9 131.0 44.3 29.1 51.2 106 106 A T H > S+ 0 0 56 -2,-0.2 4,-3.1 2,-0.2 5,-0.3 0.915 98.3 56.7 -69.0 -35.7 43.5 30.2 47.7 107 107 A Q H > S+ 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.941 110.4 44.1 -58.7 -47.2 44.2 26.8 46.3 108 108 A F H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.948 112.7 52.3 -60.5 -50.8 41.6 25.3 48.6 109 109 A K H X S+ 0 0 116 -4,-2.5 4,-0.8 2,-0.2 -2,-0.2 0.929 113.8 42.5 -54.0 -45.3 39.2 28.1 47.9 110 110 A E H >< S+ 0 0 130 -4,-3.1 3,-1.0 1,-0.2 -2,-0.2 0.964 114.5 48.5 -66.8 -52.1 39.5 27.5 44.1 111 111 A K H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.758 118.2 42.0 -60.1 -25.2 39.4 23.8 44.1 112 112 A S H >< S+ 0 0 19 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 0.482 83.6 126.5-103.2 -3.0 36.3 23.7 46.4 113 113 A A T << S+ 0 0 73 -3,-1.0 3,-0.1 -4,-0.8 -3,-0.0 -0.188 79.2 7.2 -60.5 148.1 34.2 26.5 44.9 114 114 A G T 3 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.700 99.5 145.7 54.8 17.7 30.6 25.9 43.9 115 115 A K < - 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0 0 4 -3,-0.8 -33,-0.2 -4,-0.6 -34,-0.1 -0.231 68.1-112.1 -53.1 125.3 46.5 31.3 20.8 221 221 A V + 0 0 70 -35,-2.3 -1,-0.1 1,-0.1 2,-0.1 -0.348 49.8 157.7 -60.1 134.5 44.6 34.5 21.5 222 222 A T - 0 0 42 15,-0.1 15,-0.3 1,-0.1 2,-0.3 0.050 34.9 -95.1-125.6-124.7 46.5 37.7 20.8 223 223 A D - 0 0 45 12,-0.1 3,-0.4 13,-0.1 -1,-0.1 -0.871 26.2-105.3-153.0-177.6 45.4 41.2 20.0 224 224 A S S S+ 0 0 131 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 0.328 97.4 87.5 -99.9 6.2 44.7 43.5 17.0 225 225 A E S S- 0 0 81 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.461 75.1-152.2 -85.8 -1.3 47.9 45.5 17.5 226 226 A G + 0 0 38 -3,-0.4 2,-0.5 1,-0.1 -2,-0.1 0.636 52.6 125.8 37.4 23.1 50.1 43.2 15.4 227 227 A T - 0 0 66 2,-0.1 2,-1.4 37,-0.1 -1,-0.1 -0.934 58.9-141.2-113.5 131.3 53.1 44.3 17.5 228 228 A I + 0 0 8 -2,-0.5 2,-0.3 35,-0.4 32,-0.1 -0.676 54.3 127.1 -91.0 87.1 55.4 41.8 19.3 229 229 A R - 0 0 95 -2,-1.4 2,-0.4 2,-0.1 -2,-0.1 -0.996 61.4-110.7-142.8 140.2 56.1 43.6 22.5 230 230 A Y + 0 0 80 -2,-0.3 2,-0.1 23,-0.1 -2,-0.0 -0.588 51.3 141.3 -76.3 127.6 55.8 42.5 26.1 231 231 A D B > -G 235 0D 44 4,-0.6 4,-3.7 -2,-0.4 8,-0.3 -0.569 28.3-167.2-166.0 88.2 53.0 44.3 28.0 232 232 A K T 4 S+ 0 0 106 1,-0.2 7,-0.1 2,-0.2 8,-0.1 0.884 87.7 42.8 -49.6 -47.8 51.2 41.9 30.4 233 233 A E T 4 S+ 0 0 178 2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.942 126.7 29.5 -65.8 -51.5 48.3 44.3 31.1 234 234 A A T 4 S+ 0 0 62 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.854 135.2 25.6 -79.1 -40.4 47.7 45.5 27.5 235 235 A K B X +G 231 0D 2 -4,-3.7 4,-2.3 1,-0.1 -4,-0.6 -0.637 66.3 157.7-127.4 70.5 48.9 42.4 25.5 236 236 A P H > S+ 0 0 36 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.905 75.2 50.8 -61.7 -44.4 48.4 39.4 27.8 237 237 A G H > S+ 0 0 4 -15,-0.3 4,-2.2 2,-0.2 5,-0.1 0.947 116.6 38.1 -58.9 -56.0 48.3 36.9 24.9 238 238 A I H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.853 115.4 55.0 -65.0 -37.0 51.5 38.1 23.2 239 239 A S H X S+ 0 0 2 -4,-2.3 4,-1.6 -8,-0.3 -1,-0.2 0.892 108.6 47.2 -63.5 -42.4 53.2 38.7 26.5 240 240 A N H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.910 111.9 50.9 -66.2 -41.8 52.5 35.1 27.6 241 241 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.875 108.3 52.7 -63.0 -36.4 53.8 33.7 24.2 242 242 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.856 107.8 51.3 -66.4 -37.9 56.9 35.8 24.6 243 243 A N H X S+ 0 0 19 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.915 112.2 45.9 -65.6 -40.8 57.4 34.2 28.0 244 244 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.944 115.5 47.2 -65.6 -44.7 57.1 30.7 26.6 245 245 A Y H X S+ 0 0 9 -4,-2.7 4,-2.4 -5,-0.2 6,-0.4 0.949 114.1 47.0 -61.7 -48.0 59.4 31.7 23.7 246 246 A S H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 5,-0.3 0.933 113.9 44.9 -61.8 -50.9 62.0 33.3 26.0 247 247 A T H < S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.873 118.2 43.0 -66.0 -35.5 62.2 30.5 28.5 248 248 A L H < S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.853 120.2 39.9 -80.2 -30.6 62.3 27.7 26.0 249 249 A S H < S- 0 0 43 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.705 99.1-124.8 -89.7 -25.4 64.7 29.3 23.6 250 250 A G < + 0 0 68 -4,-2.1 2,-0.4 1,-0.3 -3,-0.1 0.410 69.4 130.4 91.1 0.1 67.1 30.9 26.0 251 251 A Q - 0 0 49 -6,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 -0.711 59.8-117.9 -91.0 138.7 66.5 34.3 24.3 252 252 A S > - 0 0 46 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.164 23.4-113.3 -66.1 162.9 65.7 37.3 26.4 253 253 A I H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.876 120.3 51.3 -66.4 -34.4 62.4 39.1 25.9 254 254 A E H > S+ 0 0 127 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.940 107.4 51.9 -65.9 -48.5 64.3 42.1 24.5 255 255 A E H > S+ 0 0 75 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.928 111.6 47.9 -51.8 -50.4 66.2 39.9 22.1 256 256 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.834 108.9 52.0 -63.2 -37.8 62.9 38.5 20.8 257 257 A E H < S+ 0 0 47 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.910 113.3 45.5 -66.3 -39.8 61.2 41.9 20.4 258 258 A R H >< S+ 0 0 130 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.970 111.2 52.6 -64.0 -53.9 64.2 43.0 18.3 259 259 A Q H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.863 116.0 40.6 -50.3 -39.3 64.2 39.9 16.3 260 260 A Y T >< S+ 0 0 3 -4,-2.0 3,-2.4 -5,-0.2 -32,-0.3 0.203 80.6 142.0 -98.8 18.0 60.5 40.4 15.6 261 261 A E T < S+ 0 0 148 -3,-2.3 3,-0.1 1,-0.3 -3,-0.1 -0.320 81.9 4.5 -58.9 133.7 60.7 44.1 15.0 262 262 A G T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -34,-0.0 2,-0.1 0.396 108.4 123.7 70.3 -6.0 58.3 45.0 12.2 263 263 A K < - 0 0 85 -3,-2.4 -35,-0.4 -35,-0.1 -1,-0.2 -0.491 54.6-129.2 -89.3 158.1 57.2 41.3 12.0 264 264 A G > - 0 0 37 -2,-0.1 4,-1.7 -3,-0.1 3,-0.2 -0.488 27.3 -99.4-100.3 173.5 53.6 40.0 12.4 265 265 A Y H > S+ 0 0 26 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.796 112.2 64.3 -61.2 -33.7 52.0 37.4 14.6 266 266 A G H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.947 107.6 38.1 -56.6 -57.8 51.9 34.7 11.9 267 267 A V H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.922 116.5 53.9 -62.7 -41.7 55.7 34.3 11.5 268 268 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.929 111.8 43.9 -58.9 -45.3 56.2 34.7 15.3 269 269 A K H X S+ 0 0 23 -4,-3.1 4,-2.8 2,-0.2 -1,-0.2 0.858 111.1 53.7 -70.0 -36.6 53.7 31.9 16.1 270 270 A A H X S+ 0 0 43 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.948 112.4 45.2 -62.1 -46.6 55.1 29.6 13.4 271 271 A D H X S+ 0 0 52 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.860 113.2 49.7 -62.3 -45.1 58.6 30.1 14.9 272 272 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.923 107.1 54.4 -61.2 -47.4 57.4 29.6 18.5 273 273 A A H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 109.2 49.0 -54.8 -35.6 55.5 26.4 17.5 274 274 A Q H X S+ 0 0 83 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.899 107.9 53.1 -74.6 -34.4 58.8 25.1 16.1 275 275 A V H X S+ 0 0 17 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.935 110.7 48.3 -65.2 -42.7 60.7 26.1 19.3 276 276 A V H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.938 112.2 48.8 -61.3 -44.5 58.0 24.1 21.4 277 277 A I H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.929 108.8 53.2 -58.8 -47.3 58.4 21.1 19.0 278 278 A E H < S+ 0 0 108 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 113.5 44.4 -56.3 -36.8 62.2 21.3 19.3 279 279 A T H X S+ 0 0 24 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.922 118.2 40.2 -74.9 -46.4 61.9 21.2 23.1 280 280 A L H X S+ 0 0 3 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.820 98.5 72.5 -79.6 -30.6 59.3 18.4 23.4 281 281 A R H X S+ 0 0 130 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.914 102.6 40.9 -52.4 -50.0 60.4 16.0 20.7 282 282 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 113.6 54.8 -68.0 -38.9 63.5 14.8 22.7 283 283 A I H X S+ 0 0 3 -4,-0.9 4,-3.0 1,-0.2 -2,-0.2 0.963 109.0 48.2 -57.1 -50.3 61.6 14.7 25.9 284 284 A Q H X S+ 0 0 24 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.892 109.4 51.9 -58.8 -36.3 59.0 12.5 24.2 285 285 A E H X S+ 0 0 103 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.931 113.8 43.2 -66.0 -44.0 61.6 10.1 22.8 286 286 A R H X S+ 0 0 109 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.928 110.0 59.6 -67.7 -37.1 63.2 9.6 26.2 287 287 A Y H X S+ 0 0 10 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.907 104.7 47.3 -55.5 -51.3 59.8 9.4 27.8 288 288 A H H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.911 109.3 54.9 -61.0 -39.9 58.7 6.4 25.8 289 289 A H H >< S+ 0 0 126 -4,-1.5 3,-0.8 1,-0.2 4,-0.3 0.957 111.0 44.6 -56.7 -52.5 62.0 4.6 26.5 290 290 A W H >< S+ 0 0 54 -4,-2.6 3,-1.7 1,-0.3 6,-0.4 0.909 107.9 57.9 -60.4 -40.7 61.5 5.0 30.2 291 291 A M H 3< S+ 0 0 36 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.795 110.4 44.1 -60.9 -26.6 57.9 3.9 30.1 292 292 A E T << S+ 0 0 160 -4,-1.4 2,-0.3 -3,-0.8 -1,-0.3 0.359 100.4 95.0 -98.9 3.3 59.0 0.7 28.5 293 293 A S X - 0 0 25 -3,-1.7 3,-1.0 -4,-0.3 4,-0.5 -0.775 64.6-147.7-103.3 147.3 61.9 0.1 30.9 294 294 A E T >> S+ 0 0 135 -2,-0.3 4,-1.3 1,-0.2 3,-0.6 0.741 96.7 74.9 -74.7 -16.5 62.3 -1.9 34.1 295 295 A E H 3> S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.711 80.4 68.0 -67.9 -25.3 64.9 0.8 35.1 296 296 A L H <> S+ 0 0 0 -3,-1.0 4,-1.9 -6,-0.4 -1,-0.2 0.936 103.0 46.0 -57.2 -44.9 62.1 3.3 35.8 297 297 A D H <> S+ 0 0 82 -3,-0.6 4,-2.3 -4,-0.5 -2,-0.2 0.861 110.5 53.6 -66.9 -35.1 61.1 1.1 38.8 298 298 A R H X S+ 0 0 113 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.897 106.8 50.5 -67.0 -42.1 64.6 0.8 39.9 299 299 A V H X S+ 0 0 20 -4,-2.1 4,-2.1 1,-0.2 -222,-0.2 0.924 113.7 45.0 -61.7 -46.7 65.2 4.5 40.0 300 300 A L H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -221,-0.3 0.863 110.4 55.7 -67.8 -35.2 62.0 5.0 42.1 301 301 A D H X S+ 0 0 97 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.970 111.9 42.5 -60.0 -53.2 63.0 2.1 44.4 302 302 A E H X S+ 0 0 132 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.853 112.9 52.2 -61.5 -38.5 66.4 3.7 45.1 303 303 A G H X S+ 0 0 4 -4,-2.1 4,-2.6 -226,-0.3 -1,-0.2 0.922 110.0 48.7 -67.5 -42.3 64.9 7.2 45.6 304 304 A A H X S+ 0 0 8 -4,-2.5 4,-2.9 -227,-0.2 5,-0.2 0.882 108.6 55.7 -62.2 -41.2 62.3 5.9 48.1 305 305 A E H X S+ 0 0 129 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.936 112.8 40.1 -54.7 -51.3 65.1 4.1 49.9 306 306 A K H X S+ 0 0 61 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 115.7 49.5 -65.8 -46.5 67.1 7.4 50.4 307 307 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.898 109.1 53.4 -62.3 -41.3 64.1 9.5 51.1 308 308 A N H X S+ 0 0 50 -4,-2.9 4,-2.3 -5,-0.2 5,-0.3 0.920 106.0 54.2 -61.4 -41.8 62.9 7.0 53.8 309 309 A R H X S+ 0 0 154 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.950 117.3 35.3 -58.8 -46.5 66.3 7.1 55.5 310 310 A V H X S+ 0 0 44 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.906 120.2 45.0 -74.4 -46.9 66.2 10.9 55.8 311 311 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.860 107.7 56.7 -68.7 -36.3 62.5 11.5 56.5 312 312 A S H X S+ 0 0 58 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.870 108.2 50.4 -63.8 -36.0 62.1 8.7 59.0 313 313 A E H X S+ 0 0 63 -4,-1.0 4,-2.1 -5,-0.3 -1,-0.2 0.887 109.2 49.5 -69.2 -41.8 64.9 10.3 61.1 314 314 A M H X S+ 0 0 15 -4,-1.7 4,-2.1 -179,-0.2 -1,-0.2 0.848 109.5 53.0 -65.4 -37.0 63.3 13.7 61.0 315 315 A V H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.909 106.1 52.8 -64.1 -39.0 60.0 12.1 62.0 316 316 A R H X S+ 0 0 110 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.938 111.1 47.1 -62.1 -44.3 61.7 10.5 65.1 317 317 A K H X S+ 0 0 79 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.874 111.5 50.9 -65.8 -37.6 63.1 14.0 66.1 318 318 A M H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.930 111.2 47.2 -65.9 -44.0 59.6 15.5 65.6 319 319 A E H X>S+ 0 0 61 -4,-2.6 5,-2.1 2,-0.2 4,-1.5 0.904 111.6 52.3 -59.2 -46.2 58.0 12.8 67.8 320 320 A Q H <5S+ 0 0 134 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.927 109.1 49.6 -58.7 -44.0 60.7 13.3 70.4 321 321 A A H <5S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 116.2 40.7 -66.8 -33.1 60.0 17.1 70.5 322 322 A M H <5S- 0 0 54 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.599 112.4-119.5 -87.4 -14.4 56.2 16.6 70.9 323 323 A G T <5 + 0 0 61 -4,-1.5 -3,-0.2 -3,-0.3 -4,-0.1 0.661 57.9 154.7 79.6 23.3 56.7 13.8 73.3 324 324 A L < - 0 0 89 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.454 55.1 -8.7 -73.1 158.1 54.9 11.2 71.3 325 325 A G 0 0 71 -2,-0.1 0, 0.0 -5,-0.0 0, 0.0 -0.286 360.0 360.0 63.1-136.5 55.8 7.5 71.7 326 326 A R 0 0 296 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.751 360.0 360.0-133.3 360.0 58.8 6.6 73.9