==== 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 TRANSFERASE 06-NOV-08 2W37 . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE, CATABOLIC; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS HILGARDII; . AUTHOR B.DE LAS RIVAS,G.C.FOX,I.ANGULO,H.RODRIGUEZ,R.MUNOZ, . 1023 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 727 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 57 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 3 4 2 0 3 0 4 5 0 5 4 3 0 0 0 0 6 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 0 12 9 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 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 3 A K 0 0 212 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.0 -16.6 -56.7 -12.5 2 4 A D + 0 0 105 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.780 360.0 177.7 -90.8 108.2 -17.8 -53.4 -14.0 3 5 A F + 0 0 156 -2,-0.8 2,-0.2 2,-0.1 -1,-0.1 0.367 40.5 120.9 -90.9 2.0 -14.8 -51.4 -15.3 4 6 A R - 0 0 166 333,-0.0 2,-0.4 2,-0.0 333,-0.1 -0.522 44.7-166.3 -64.8 129.6 -16.9 -48.5 -16.7 5 7 A Q + 0 0 101 -2,-0.2 333,-2.5 330,-0.1 2,-0.2 -0.989 29.4 130.9-123.4 120.8 -15.9 -45.2 -15.1 6 8 A N B > -a 338 0A 30 -2,-0.4 3,-0.6 331,-0.2 331,-0.1 -0.613 37.1-158.1-168.5 107.4 -18.0 -42.1 -15.4 7 9 A V T 3 S+ 0 0 59 331,-1.6 325,-0.1 1,-0.2 330,-0.0 0.571 96.3 43.0 -67.3 -10.8 -19.0 -39.9 -12.3 8 10 A F T > S+ 0 0 0 323,-0.3 3,-2.2 330,-0.2 -1,-0.2 0.681 81.0 118.3-103.6 -25.5 -22.0 -38.5 -14.2 9 11 A Q T < S+ 0 0 48 -3,-0.6 324,-0.2 1,-0.3 323,-0.2 -0.231 87.6 3.9 -58.2 122.7 -23.5 -41.6 -15.9 10 12 A G T 3 S+ 0 0 45 322,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.301 98.4 131.0 90.7 -8.4 -27.0 -42.4 -14.8 11 13 A R < - 0 0 73 -3,-2.2 -1,-0.3 321,-0.1 2,-0.2 -0.479 52.1-133.4 -77.2 146.5 -27.3 -39.3 -12.6 12 14 A S - 0 0 26 116,-0.2 2,-0.5 -2,-0.2 118,-0.2 -0.584 4.4-144.2 -92.3 161.5 -30.2 -36.9 -12.8 13 15 A V B +b 130 0B 5 116,-2.3 118,-3.0 -2,-0.2 3,-0.1 -0.880 44.4 139.3-126.3 94.0 -29.8 -33.2 -13.0 14 16 A L + 0 0 19 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.717 69.7 15.4-107.6 -30.4 -32.7 -31.7 -10.9 15 17 A A > - 0 0 0 123,-0.1 3,-2.0 124,-0.1 -1,-0.4 -0.980 65.2-133.7-152.5 131.0 -31.2 -28.8 -9.0 16 18 A E G > S+ 0 0 3 -2,-0.3 3,-1.5 1,-0.3 8,-0.1 0.767 102.4 68.9 -66.1 -21.5 -27.9 -27.1 -9.6 17 19 A K G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.610 85.7 70.4 -69.1 -11.6 -27.0 -27.3 -5.8 18 20 A D G < S+ 0 0 85 -3,-2.0 2,-0.4 2,-0.1 -1,-0.3 0.423 93.1 71.8 -81.7 0.5 -26.7 -31.0 -6.2 19 21 A F S < S- 0 0 9 -3,-1.5 2,-0.1 -4,-0.1 -6,-0.0 -0.930 79.5-127.9-122.4 141.3 -23.5 -30.5 -8.1 20 22 A S > - 0 0 56 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.333 32.5-104.8 -77.0 163.9 -20.1 -29.3 -7.0 21 23 A A H > S+ 0 0 36 160,-0.2 4,-2.8 1,-0.2 5,-0.2 0.904 124.0 52.6 -51.6 -45.6 -18.2 -26.4 -8.6 22 24 A A H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.878 110.4 47.1 -60.4 -41.5 -15.9 -28.9 -10.3 23 25 A E H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.914 113.5 47.7 -67.2 -43.3 -18.9 -30.8 -11.7 24 26 A L H X S+ 0 0 9 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.923 112.9 47.9 -62.8 -47.2 -20.6 -27.6 -12.9 25 27 A E H X S+ 0 0 22 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.852 108.2 55.8 -62.8 -40.2 -17.4 -26.3 -14.6 26 28 A Y H X S+ 0 0 69 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.944 110.3 44.5 -53.7 -50.7 -16.8 -29.7 -16.2 27 29 A L H X S+ 0 0 4 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.839 113.6 51.1 -66.7 -35.7 -20.2 -29.6 -17.9 28 30 A I H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.931 114.2 43.0 -64.1 -47.7 -19.7 -25.9 -18.9 29 31 A D H X S+ 0 0 68 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.870 111.5 54.6 -68.3 -41.4 -16.3 -26.7 -20.4 30 32 A F H X S+ 0 0 23 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.908 107.1 52.8 -55.3 -45.4 -17.7 -29.8 -22.1 31 33 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.887 108.7 47.8 -57.6 -43.7 -20.4 -27.6 -23.6 32 34 A L H X S+ 0 0 42 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.873 111.5 51.9 -67.4 -37.2 -17.8 -25.2 -25.0 33 35 A H H X S+ 0 0 109 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 111.7 45.1 -59.3 -50.9 -15.9 -28.2 -26.4 34 36 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.809 108.4 57.4 -68.0 -32.5 -19.0 -29.6 -28.1 35 37 A K H X S+ 0 0 18 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.950 109.1 46.4 -57.9 -50.0 -19.9 -26.1 -29.5 36 38 A A H X S+ 0 0 58 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 111.7 51.7 -56.8 -47.8 -16.4 -26.1 -31.1 37 39 A L H X>S+ 0 0 22 -4,-2.5 5,-2.3 1,-0.2 4,-0.7 0.928 110.7 47.6 -54.6 -48.6 -17.0 -29.7 -32.4 38 40 A K H ><5S+ 0 0 55 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.899 109.4 52.5 -63.7 -40.7 -20.4 -28.7 -34.0 39 41 A K H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.5 45.4 -59.9 -39.1 -18.9 -25.5 -35.6 40 42 A A H 3<5S- 0 0 71 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.499 113.8-114.4 -84.1 -6.0 -16.2 -27.7 -37.3 41 43 A G T <<5 + 0 0 63 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.672 59.6 156.6 77.9 19.0 -18.5 -30.5 -38.4 42 44 A I < - 0 0 84 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.693 42.5-122.5 -81.8 118.8 -16.9 -33.1 -36.1 43 45 A P + 0 0 102 0, 0.0 31,-0.1 0, 0.0 -1,-0.1 -0.268 35.2 169.0 -62.2 141.5 -19.3 -36.0 -35.3 44 46 A H + 0 0 11 29,-0.5 2,-1.9 -6,-0.0 3,-0.2 -0.355 6.9 161.4-152.2 58.3 -20.2 -36.7 -31.6 45 47 A H > + 0 0 90 1,-0.2 3,-1.3 30,-0.1 29,-0.2 -0.460 11.4 152.4 -85.3 67.7 -23.1 -39.2 -31.6 46 48 A Y T 3 S+ 0 0 75 -2,-1.9 -1,-0.2 1,-0.3 29,-0.1 0.667 72.9 48.3 -75.2 -17.4 -22.6 -40.3 -28.0 47 49 A L T > S+ 0 0 0 27,-2.3 3,-2.3 -3,-0.2 -1,-0.3 -0.031 80.4 165.4-109.5 26.6 -26.4 -41.2 -27.7 48 50 A E T < + 0 0 152 -3,-1.3 28,-0.2 1,-0.3 27,-0.1 -0.149 68.0 8.0 -42.4 126.9 -26.5 -43.2 -30.9 49 51 A G T 3 S+ 0 0 45 26,-1.3 -1,-0.3 1,-0.2 27,-0.2 0.335 97.4 135.0 82.5 -6.0 -29.7 -45.3 -31.0 50 52 A K < - 0 0 45 -3,-2.3 27,-3.0 25,-0.3 2,-0.4 -0.329 46.4-142.0 -84.8 157.3 -31.4 -43.8 -27.9 51 53 A N E -c 77 0B 0 25,-0.2 55,-3.1 53,-0.1 56,-0.8 -0.959 18.0-168.2-112.5 136.1 -35.0 -42.7 -27.3 52 54 A I E -cd 78 107B 0 25,-2.6 27,-2.5 -2,-0.4 2,-0.5 -0.980 12.7-144.3-128.6 133.6 -35.6 -39.6 -25.1 53 55 A A E -cd 79 108B 0 54,-2.5 56,-3.4 -2,-0.4 2,-0.7 -0.852 7.5-160.7 -96.4 131.0 -38.9 -38.4 -23.6 54 56 A L E -cd 80 109B 0 25,-2.9 27,-3.4 -2,-0.5 2,-0.5 -0.881 12.4-168.2-111.2 98.2 -39.4 -34.6 -23.4 55 57 A L E +cd 81 110B 0 54,-3.0 56,-2.1 -2,-0.7 2,-0.4 -0.739 10.3 174.6 -88.6 126.8 -42.1 -33.9 -20.9 56 58 A F E + d 0 111B 0 25,-2.7 30,-0.2 -2,-0.5 29,-0.2 -0.945 16.8 179.6-131.6 112.6 -43.6 -30.4 -20.7 57 59 A E S S+ 0 0 35 54,-3.1 2,-0.4 -2,-0.4 55,-0.2 0.741 87.2 31.6 -76.6 -26.1 -46.6 -29.7 -18.3 58 60 A K S S- 0 0 110 53,-0.4 -1,-0.2 -3,-0.1 2,-0.1 -0.986 105.4 -95.6-127.8 143.1 -46.4 -26.1 -19.5 59 61 A S + 0 0 49 -2,-0.4 2,-0.1 -3,-0.1 -2,-0.1 -0.333 47.2 163.5 -59.0 127.7 -45.3 -25.0 -23.0 60 62 A S > + 0 0 27 1,-0.1 4,-2.1 -2,-0.1 3,-0.2 -0.575 5.0 172.4-148.0 74.2 -41.6 -24.1 -23.0 61 63 A T H > S+ 0 0 22 366,-0.3 4,-2.6 1,-0.2 5,-0.2 0.796 72.7 53.8 -66.5 -35.7 -40.6 -24.1 -26.7 62 64 A R H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.930 112.9 45.7 -64.3 -43.1 -37.1 -22.7 -26.5 63 65 A T H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 112.6 51.5 -64.0 -40.5 -36.1 -25.4 -23.9 64 66 A R H X S+ 0 0 8 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.946 109.7 49.0 -60.3 -47.3 -37.8 -28.0 -26.1 65 67 A S H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.824 110.6 50.6 -64.0 -37.5 -35.9 -26.9 -29.1 66 68 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.916 114.3 43.6 -63.2 -49.1 -32.6 -27.0 -27.2 67 69 A F H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.870 116.2 49.6 -62.6 -38.8 -33.3 -30.5 -26.0 68 70 A T H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.938 114.3 40.6 -67.0 -53.2 -34.5 -31.6 -29.5 69 71 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.902 115.7 53.0 -68.0 -39.4 -31.6 -30.3 -31.5 70 72 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.891 109.0 49.2 -57.0 -42.4 -29.2 -31.5 -28.8 71 73 A S H <>S+ 0 0 0 -4,-1.8 5,-3.3 2,-0.2 4,-0.5 0.914 111.2 49.3 -66.4 -45.5 -30.7 -35.0 -29.0 72 74 A I H ><5S+ 0 0 28 -4,-2.1 3,-1.3 3,-0.2 -1,-0.2 0.912 109.0 51.3 -59.8 -49.0 -30.5 -35.2 -32.7 73 75 A D H 3<5S+ 0 0 13 -4,-2.3 -29,-0.5 1,-0.3 -1,-0.2 0.821 112.1 48.3 -57.3 -35.5 -26.8 -34.1 -32.8 74 76 A L T 3<5S- 0 0 0 -4,-1.5 -27,-2.3 -5,-0.2 -1,-0.3 0.503 122.3-108.0 -82.7 -7.4 -26.0 -36.8 -30.2 75 77 A G T < 5S+ 0 0 28 -3,-1.3 -26,-1.3 -4,-0.5 2,-0.3 0.592 78.2 125.5 91.5 11.8 -27.9 -39.4 -32.3 76 78 A A < - 0 0 2 -5,-3.3 -1,-0.3 -28,-0.2 -25,-0.2 -0.763 58.0-127.8-101.1 148.0 -30.9 -39.8 -29.9 77 79 A H E -c 51 0B 13 -27,-3.0 -25,-2.6 -2,-0.3 2,-0.4 -0.861 21.3-154.3-101.6 119.6 -34.5 -39.4 -30.9 78 80 A P E -c 52 0B 0 0, 0.0 2,-0.5 0, 0.0 -25,-0.2 -0.694 4.7-163.0 -88.0 131.7 -36.6 -36.9 -28.8 79 81 A E E -c 53 0B 6 -27,-2.5 -25,-2.9 -2,-0.4 2,-0.5 -0.976 16.7-135.1-114.9 127.7 -40.4 -37.2 -28.5 80 82 A Y E -c 54 0B 27 -2,-0.5 2,-0.6 -27,-0.2 -25,-0.2 -0.636 20.2-177.4 -78.0 116.6 -42.3 -34.2 -27.2 81 83 A L E +c 55 0B 1 -27,-3.4 -25,-2.7 -2,-0.5 -2,-0.0 -0.898 18.6 178.6-114.9 97.2 -45.0 -35.0 -24.6 82 84 A G >> - 0 0 1 -2,-0.6 4,-1.8 -27,-0.2 3,-1.1 -0.030 45.7 -71.4 -87.5-167.5 -46.8 -31.7 -23.8 83 85 A Q T 34 S+ 0 0 94 1,-0.3 -26,-0.1 2,-0.2 -28,-0.0 0.756 130.7 46.9 -64.7 -29.7 -49.6 -30.6 -21.5 84 86 A N T 34 S+ 0 0 100 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.642 116.0 48.3 -81.8 -14.5 -52.4 -32.3 -23.6 85 87 A D T <4 S+ 0 0 21 -3,-1.1 2,-0.3 1,-0.3 660,-0.2 0.720 119.5 24.5 -95.6 -27.7 -50.3 -35.5 -23.8 86 88 A I < + 0 0 14 -4,-1.8 2,-0.3 -30,-0.2 -1,-0.3 -0.996 46.1 175.9-149.0 132.2 -49.3 -35.9 -20.2 87 89 A Q >> - 0 0 66 -2,-0.3 3,-1.5 -3,-0.1 4,-0.6 -0.810 29.9-142.5-135.1 96.5 -50.6 -34.8 -16.7 88 90 A L T 34 S+ 0 0 17 -2,-0.3 5,-0.1 1,-0.2 6,-0.1 -0.310 79.3 2.2 -65.7 135.1 -48.4 -36.3 -14.0 89 91 A G T 34 S+ 0 0 16 3,-0.9 881,-2.3 880,-0.1 -1,-0.2 0.533 104.5 104.4 69.3 9.1 -50.1 -37.5 -10.8 90 92 A K T <4 S- 0 0 99 -3,-1.5 881,-1.9 2,-0.3 882,-0.3 0.967 102.6 -10.9 -83.8 -66.1 -53.6 -36.6 -12.2 91 93 A K S < S+ 0 0 111 -4,-0.6 2,-0.4 1,-0.3 -3,-0.1 0.517 140.3 38.2-114.3 -14.1 -55.2 -40.0 -13.2 92 94 A E S S- 0 0 8 -5,-0.4 -3,-0.9 870,-0.1 -2,-0.3 -0.988 97.0-101.8-132.1 141.0 -52.1 -42.2 -12.8 93 95 A S > - 0 0 3 -2,-0.4 4,-2.0 870,-0.3 3,-0.3 -0.322 25.7-123.5 -62.1 144.0 -49.5 -41.8 -10.0 94 96 A T H > S+ 0 0 9 874,-0.4 4,-2.8 1,-0.2 5,-0.1 0.875 113.4 56.0 -54.6 -39.1 -46.3 -40.1 -11.1 95 97 A S H > S+ 0 0 20 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 105.4 49.0 -61.2 -44.1 -44.4 -43.1 -9.8 96 98 A D H > S+ 0 0 4 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.914 114.3 46.2 -62.5 -43.3 -46.4 -45.6 -12.1 97 99 A T H X S+ 0 0 12 -4,-2.0 4,-3.5 2,-0.2 5,-0.3 0.930 108.3 55.9 -65.6 -47.4 -45.8 -43.3 -15.1 98 100 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 -1,-0.2 0.899 107.1 50.8 -47.3 -51.1 -42.0 -42.9 -14.3 99 101 A K H X S+ 0 0 81 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.884 114.2 42.5 -58.7 -43.6 -41.7 -46.7 -14.3 100 102 A V H X S+ 0 0 5 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.917 115.1 49.3 -73.8 -42.8 -43.3 -47.1 -17.7 101 103 A L H >X S+ 0 0 11 -4,-3.5 4,-3.0 1,-0.2 3,-0.9 0.936 112.0 51.0 -53.5 -50.1 -41.5 -44.1 -19.2 102 104 A G H 3< S+ 0 0 13 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.764 104.8 56.1 -60.1 -29.7 -38.2 -45.6 -17.8 103 105 A S H 3< S+ 0 0 33 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.704 120.7 28.2 -77.8 -21.1 -38.9 -49.0 -19.3 104 106 A M H << S+ 0 0 5 -4,-0.9 2,-0.2 -3,-0.9 -2,-0.2 0.771 115.3 56.8-104.9 -40.0 -39.3 -47.5 -22.9 105 107 A F < - 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