==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 31-DEC-09 2X1M . COMPND 2 MOLECULE: METHIONYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR H.INGVARSSON,T.A.JONES,T.UNGE . 512 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.9 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 2 0 1 3 3 2 1 0 1 0 1 0 1 1 0 0 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 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 . 3 3 2 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 2 1 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 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 2 A S 0 0 114 0, 0.0 39,-0.1 0, 0.0 38,-0.1 0.000 360.0 360.0 360.0 90.5 14.3 -11.4 30.1 2 3 A E - 0 0 139 37,-0.2 39,-2.7 1,-0.1 2,-0.1 -0.386 360.0-110.3 -72.1 143.0 11.7 -13.3 28.0 3 4 A P E -a 41 0A 26 0, 0.0 2,-0.4 0, 0.0 39,-0.2 -0.436 27.3-167.5 -71.8 146.9 11.3 -17.1 28.3 4 5 A F E -a 42 0A 18 37,-3.3 39,-1.9 -2,-0.1 2,-0.6 -0.911 0.6-168.8-138.3 109.5 12.4 -19.5 25.5 5 6 A Y E +a 43 0A 0 -2,-0.4 252,-2.2 248,-0.3 253,-1.5 -0.884 12.1 172.6-105.3 116.0 11.3 -23.1 25.6 6 7 A I E -ab 44 258A 0 37,-2.3 39,-2.0 -2,-0.6 2,-0.3 -0.961 5.8-174.4-125.5 139.1 13.0 -25.5 23.1 7 8 A T E -ab 45 259A 0 251,-2.1 253,-2.8 -2,-0.4 2,-0.2 -0.928 14.6-146.9-131.9 153.5 12.8 -29.3 22.9 8 9 A T E - b 0 260A 0 37,-1.8 2,-0.3 -2,-0.3 253,-0.2 -0.710 42.2 -87.5-105.1 166.9 14.2 -32.2 20.9 9 10 A A - 0 0 5 251,-0.8 2,-1.0 -2,-0.2 38,-0.3 -0.600 38.5-128.2 -71.6 132.5 12.5 -35.4 19.9 10 11 A I - 0 0 0 -2,-0.3 38,-0.3 36,-0.1 -1,-0.1 -0.751 33.9-148.5 -86.5 102.1 12.8 -38.0 22.7 11 12 A A B -c 48 0A 2 -2,-1.0 38,-2.6 36,-0.9 66,-0.0 -0.202 17.6 -98.0 -76.7 159.3 14.1 -41.1 20.8 12 13 A Y > - 0 0 13 36,-0.2 2,-1.4 1,-0.1 3,-0.5 -0.637 25.5-145.4 -72.5 122.9 13.6 -44.8 21.4 13 14 A P T 3 + 0 0 0 0, 0.0 60,-0.2 0, 0.0 61,-0.1 -0.409 63.8 118.4 -86.0 59.7 16.5 -46.3 23.3 14 15 A N T 3 S- 0 0 49 -2,-1.4 2,-0.2 59,-0.1 60,-0.0 0.658 80.1 -3.2 -96.0 -21.0 16.3 -49.6 21.5 15 16 A G S < S- 0 0 31 -3,-0.5 3,-0.0 58,-0.1 43,-0.0 -0.508 100.9 -40.5-142.2-150.1 19.7 -49.5 19.8 16 17 A V - 0 0 100 -2,-0.2 -2,-0.1 1,-0.1 57,-0.0 -0.748 67.5 -98.5 -90.4 135.4 22.9 -47.4 19.4 17 18 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.303 43.8-143.6 -53.3 130.5 22.4 -43.6 18.8 18 19 A H > - 0 0 123 292,-0.1 4,-1.4 293,-0.1 3,-0.2 -0.262 26.0-100.1 -89.3 178.1 22.6 -42.7 15.1 19 20 A I H > S+ 0 0 16 290,-0.2 4,-2.6 1,-0.2 5,-0.2 0.808 120.0 62.6 -66.5 -31.4 24.1 -39.7 13.3 20 21 A G H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.845 102.1 49.2 -64.2 -37.4 20.5 -38.3 13.0 21 22 A H H > S+ 0 0 37 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 112.5 47.1 -65.3 -50.0 20.1 -38.0 16.7 22 23 A A H X S+ 0 0 2 -4,-1.4 4,-2.6 1,-0.2 5,-0.3 0.884 109.5 54.5 -58.6 -43.3 23.5 -36.3 17.1 23 24 A Y H X S+ 0 0 1 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.879 111.5 45.4 -56.7 -41.9 22.6 -33.9 14.3 24 25 A E H X S+ 0 0 11 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.899 112.6 49.3 -69.7 -43.3 19.4 -33.0 16.1 25 26 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 113.3 45.8 -66.6 -43.0 21.0 -32.5 19.5 26 27 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.921 113.7 49.5 -63.5 -46.5 23.8 -30.3 18.2 27 28 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.880 114.4 44.0 -61.4 -42.3 21.4 -28.2 16.1 28 29 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.859 111.5 54.0 -71.8 -38.0 19.0 -27.7 19.1 29 30 A D H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.885 105.1 55.3 -60.9 -40.8 21.9 -27.0 21.4 30 31 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 111.4 42.6 -60.0 -45.9 23.2 -24.3 19.1 31 32 A I H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.912 114.8 50.8 -66.6 -43.4 19.8 -22.5 19.1 32 33 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.862 113.6 44.5 -63.2 -38.9 19.5 -22.9 22.9 33 34 A R H X S+ 0 0 48 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.867 111.5 54.2 -71.4 -38.2 23.0 -21.5 23.5 34 35 A F H X S+ 0 0 0 -4,-2.1 4,-1.0 -5,-0.2 -2,-0.2 0.880 107.7 49.8 -62.8 -41.0 22.3 -18.7 21.1 35 36 A K H <>S+ 0 0 7 -4,-2.2 5,-2.0 2,-0.2 -1,-0.2 0.870 108.5 52.4 -68.3 -38.2 19.2 -17.6 23.0 36 37 A R H ><5S+ 0 0 71 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.930 111.0 46.7 -60.8 -47.1 20.9 -17.6 26.4 37 38 A L H 3<5S+ 0 0 27 -4,-2.0 451,-2.5 1,-0.3 452,-0.4 0.686 107.9 57.6 -70.1 -19.7 23.7 -15.4 25.0 38 39 A D T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.342 128.2 -98.2 -91.5 3.4 21.0 -13.1 23.5 39 40 A G T < 5S+ 0 0 42 -3,-1.5 2,-0.3 1,-0.2 -37,-0.2 0.817 74.0 141.3 88.6 35.5 19.5 -12.7 27.0 40 41 A Y < - 0 0 76 -5,-2.0 2,-1.0 -39,-0.1 -1,-0.2 -0.739 57.6-118.2-105.1 154.4 16.6 -15.2 27.1 41 42 A D E -a 3 0A 44 -39,-2.7 -37,-3.3 -2,-0.3 2,-0.5 -0.811 44.7-162.2 -88.6 101.3 15.4 -17.4 29.9 42 43 A V E -a 4 0A 10 -2,-1.0 2,-0.5 -39,-0.2 -37,-0.2 -0.765 24.0-176.8-101.4 123.8 16.0 -20.8 28.3 43 44 A R E -a 5 0A 71 -39,-1.9 -37,-2.3 -2,-0.5 2,-0.5 -0.985 14.2-168.8-108.4 127.4 14.6 -24.2 29.2 44 45 A Y E -a 6 0A 1 -2,-0.5 45,-2.3 -39,-0.2 46,-1.3 -0.945 2.1-169.9-125.5 108.8 16.0 -27.0 27.0 45 46 A L E +ad 7 90A 2 -39,-2.0 -37,-1.8 -2,-0.5 2,-0.3 -0.815 16.7 147.9-104.9 138.5 14.4 -30.4 27.1 46 47 A T E + d 0 91A 0 44,-1.6 46,-2.8 -2,-0.4 2,-0.3 -0.915 15.8 106.5-149.7 172.6 15.8 -33.6 25.6 47 48 A G E - d 0 92A 0 -38,-0.3 -36,-0.9 -2,-0.3 2,-0.3 -0.994 52.4 -49.6 157.0-145.2 15.7 -37.4 26.4 48 49 A T E -cd 11 93A 0 44,-2.2 46,-1.2 -2,-0.3 2,-0.6 -0.921 21.2-138.3-135.6 154.6 14.2 -40.8 25.6 49 50 A D + 0 0 0 -38,-2.6 183,-0.1 -2,-0.3 44,-0.1 -0.879 28.5 174.7-113.2 95.3 10.9 -42.5 24.9 50 51 A V + 0 0 0 -2,-0.6 -1,-0.1 -38,-0.1 2,-0.1 0.598 48.0 76.9 -85.0 -15.1 11.3 -45.8 26.8 51 52 A H + 0 0 1 177,-0.1 4,-0.2 4,-0.1 164,-0.2 -0.245 56.9 76.0 -90.4 178.3 7.8 -47.4 26.3 52 53 A G S > S- 0 0 2 162,-1.4 4,-1.8 1,-0.1 5,-0.1 -0.280 84.5 -77.4 109.8 167.7 6.1 -49.1 23.4 53 54 A Q H > S+ 0 0 26 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.812 124.2 62.1 -70.8 -33.6 6.1 -52.5 21.6 54 55 A K H > S+ 0 0 32 73,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.898 110.1 40.1 -57.8 -43.7 9.3 -51.6 19.8 55 56 A M H > S+ 0 0 0 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.878 114.1 52.7 -72.3 -41.2 11.1 -51.4 23.1 56 57 A A H X S+ 0 0 30 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.835 110.5 47.7 -66.4 -35.8 9.4 -54.4 24.6 57 58 A E H X S+ 0 0 99 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.906 110.4 50.1 -71.3 -44.5 10.3 -56.7 21.7 58 59 A T H X S+ 0 0 38 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.815 111.8 50.5 -63.8 -32.2 14.0 -55.6 21.6 59 60 A A H <>S+ 0 0 1 -4,-1.6 5,-2.8 2,-0.2 -1,-0.2 0.887 112.1 45.7 -70.6 -42.1 14.1 -56.3 25.3 60 61 A A H ><5S+ 0 0 78 -4,-1.7 3,-0.5 3,-0.2 -2,-0.2 0.813 110.4 54.3 -70.2 -32.4 12.6 -59.8 24.8 61 62 A K H 3<5S+ 0 0 186 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.3 43.5 -70.6 -31.7 14.9 -60.5 21.9 62 63 A E T 3<5S- 0 0 99 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.328 114.8-121.5 -94.3 4.8 17.9 -59.7 24.1 63 64 A G T < 5S+ 0 0 65 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.813 72.7 113.2 61.2 36.1 16.3 -61.7 27.0 64 65 A I S - 0 0 83 0, 0.0 4,-1.7 0, 0.0 3,-0.2 -0.262 34.4-122.5 -59.2 152.2 13.4 -56.9 31.2 66 67 A A H > S+ 0 0 21 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.849 113.9 53.1 -64.0 -36.8 12.0 -53.9 29.3 67 68 A A H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.769 106.2 54.1 -69.0 -28.4 12.8 -51.6 32.3 68 69 A E H > S+ 0 0 108 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.876 110.2 45.2 -72.9 -40.6 16.4 -52.9 32.2 69 70 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.836 108.8 60.4 -67.5 -34.5 16.8 -52.0 28.5 70 71 A A H X S+ 0 0 5 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.930 111.9 35.2 -59.2 -51.4 15.2 -48.6 29.3 71 72 A R H X S+ 0 0 168 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.952 117.5 51.5 -68.0 -52.5 17.8 -47.5 31.8 72 73 A R H X S+ 0 0 96 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.908 116.2 38.1 -54.8 -52.5 20.9 -49.1 30.1 73 74 A N H X S+ 0 0 12 -4,-2.1 4,-2.0 -60,-0.2 -1,-0.2 0.764 114.0 55.1 -75.0 -27.4 20.3 -47.6 26.6 74 75 A S H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.3 -1,-0.2 0.843 104.7 54.8 -70.3 -35.5 19.0 -44.3 28.0 75 76 A D H X S+ 0 0 35 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.841 108.7 49.1 -61.9 -36.1 22.3 -44.0 29.9 76 77 A V H X S+ 0 0 62 -4,-1.1 4,-1.6 -5,-0.2 -2,-0.2 0.911 111.9 47.9 -67.9 -45.3 24.1 -44.5 26.6 77 78 A F H X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.860 112.7 49.0 -63.3 -38.2 21.9 -41.8 24.9 78 79 A Q H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.867 108.8 52.2 -70.2 -38.8 22.6 -39.4 27.8 79 80 A R H X S+ 0 0 149 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.825 105.3 56.0 -68.4 -33.3 26.4 -40.0 27.8 80 81 A L H X S+ 0 0 10 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.935 108.8 46.9 -59.9 -47.8 26.4 -39.2 24.0 81 82 A Q H <>S+ 0 0 0 -4,-1.4 5,-2.9 2,-0.2 -2,-0.2 0.825 110.9 52.0 -65.8 -33.5 24.8 -35.8 24.7 82 83 A E H ><5S+ 0 0 115 -4,-1.7 3,-0.8 3,-0.2 -1,-0.2 0.883 112.0 46.4 -66.4 -40.4 27.3 -35.2 27.5 83 84 A K H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 110.0 53.2 -67.9 -36.6 30.1 -36.0 25.1 84 85 A L T 3<5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.450 114.8-122.6 -76.3 -0.4 28.5 -33.7 22.5 85 86 A N T < 5 - 0 0 52 -3,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.900 43.1-180.0 57.2 46.9 28.5 -31.0 25.2 86 87 A I < - 0 0 11 -5,-2.9 2,-0.9 1,-0.1 -1,-0.2 -0.669 24.6-146.6 -80.6 126.4 24.7 -30.5 25.1 87 88 A S + 0 0 26 -2,-0.4 2,-0.1 -58,-0.0 -43,-0.1 -0.299 38.3 158.3 -91.2 49.6 23.5 -27.8 27.5 88 89 A F - 0 0 41 -2,-0.9 -43,-0.2 1,-0.1 3,-0.2 -0.459 38.4-149.2 -72.5 145.4 20.1 -29.5 28.3 89 90 A D S S+ 0 0 90 -45,-2.3 2,-0.3 1,-0.3 -44,-0.2 0.836 82.8 13.9 -83.1 -37.0 18.4 -28.5 31.5 90 91 A R E -d 45 0A 67 -46,-1.3 -44,-1.6 2,-0.0 2,-0.9 -0.991 59.1-149.3-142.4 133.5 16.7 -31.9 31.9 91 92 A F E -d 46 0A 17 -2,-0.3 -44,-0.3 -46,-0.2 2,-0.1 -0.840 33.8-156.6 -96.2 94.6 17.2 -35.3 30.3 92 93 A I E -d 47 0A 0 -46,-2.8 -44,-2.2 -2,-0.9 2,-0.4 -0.426 14.4-168.1 -79.3 145.4 13.7 -36.6 30.5 93 94 A R E > -d 48 0A 29 -46,-0.2 3,-2.6 -2,-0.1 6,-0.2 -0.999 26.0-133.6-132.0 130.9 12.7 -40.3 30.4 94 95 A T T 3 S+ 0 0 0 -46,-1.2 -45,-0.1 -2,-0.4 -2,-0.0 0.587 104.2 67.7 -63.3 -8.9 9.1 -41.4 29.9 95 96 A S T 3 S+ 0 0 51 4,-0.1 -1,-0.3 -25,-0.1 5,-0.1 0.501 75.9 118.9 -84.2 -7.0 9.5 -43.9 32.8 96 97 A D S X> S- 0 0 43 -3,-2.6 4,-1.3 1,-0.1 3,-0.6 -0.267 71.4-126.7 -62.8 146.6 9.9 -40.9 35.3 97 98 A A H 3> S+ 0 0 83 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.894 108.7 52.9 -62.3 -44.1 7.3 -40.6 38.1 98 99 A D H 3> S+ 0 0 62 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.685 105.6 57.0 -67.8 -18.9 6.3 -37.0 37.3 99 100 A H H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.2 -1,-0.2 0.839 99.7 57.3 -78.2 -37.0 5.7 -38.1 33.7 100 101 A Y H X S+ 0 0 59 -4,-1.3 4,-1.6 -3,-0.3 -2,-0.2 0.874 108.2 47.5 -58.1 -41.0 3.1 -40.8 34.7 101 102 A E H X S+ 0 0 118 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.856 112.0 50.2 -69.1 -36.9 1.1 -38.1 36.4 102 103 A A H X S+ 0 0 0 -4,-1.0 4,-2.2 140,-0.3 -2,-0.2 0.873 109.8 49.1 -70.7 -40.2 1.3 -35.8 33.4 103 104 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.876 113.1 47.6 -65.7 -39.6 0.2 -38.5 30.9 104 105 A K H X S+ 0 0 68 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.745 110.8 54.0 -72.0 -24.9 -2.8 -39.4 33.2 105 106 A A H X S+ 0 0 21 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.925 108.7 44.8 -75.2 -48.1 -3.6 -35.7 33.5 106 107 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.847 112.1 55.1 -65.1 -34.3 -3.8 -34.9 29.7 107 108 A W H X S+ 0 0 13 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.930 108.4 47.5 -60.7 -48.2 -5.8 -38.1 29.3 108 109 A K H X S+ 0 0 127 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.908 110.6 52.5 -60.8 -44.9 -8.4 -36.9 31.9 109 110 A R H X S+ 0 0 86 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.923 112.6 43.9 -55.5 -49.2 -8.6 -33.5 30.2 110 111 A M H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 6,-0.4 0.837 114.5 50.0 -67.3 -35.7 -9.3 -35.0 26.8 111 112 A A H ><5S+ 0 0 37 -4,-2.2 3,-0.8 4,-0.2 5,-0.3 0.863 109.2 50.7 -71.4 -38.8 -11.8 -37.5 28.2 112 113 A D H 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