==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-DEC-11 3V1T . COMPND 2 MOLECULE: 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR D.DUTTA,S.BHATTACHARYYA,A.K.DAS . 816 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 15.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.2 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 . 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 . 51 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 3 1 4 2 0 1 3 8 0 0 0 0 0 2 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 6 6 4 2 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 . 5 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 0 0 4 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 29 C P 0 0 170 0, 0.0 116,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.9 -22.5 -13.8 -10.8 2 30 C Q - 0 0 87 1,-0.1 2,-0.2 0, 0.0 116,-0.2 -0.661 360.0-102.5 -92.1 150.3 -20.7 -15.3 -13.9 3 31 C P - 0 0 77 0, 0.0 2,-0.3 0, 0.0 368,-0.1 -0.552 39.4-128.2 -67.1 142.0 -17.2 -14.1 -15.3 4 32 C E - 0 0 59 366,-0.4 2,-0.8 -2,-0.2 115,-0.0 -0.622 17.7-111.0 -87.1 142.7 -17.6 -12.0 -18.4 5 33 C T - 0 0 128 -2,-0.3 -1,-0.1 1,-0.0 2,-0.0 -0.676 47.6-128.8 -68.8 113.1 -15.8 -12.6 -21.6 6 34 C L - 0 0 11 -2,-0.8 2,-0.4 1,-0.1 113,-0.1 -0.349 9.6-126.2 -75.4 138.0 -13.5 -9.6 -21.4 7 35 C R - 0 0 58 112,-0.1 2,-0.3 144,-0.1 144,-0.2 -0.735 33.1-172.3 -78.9 131.9 -13.4 -7.3 -24.4 8 36 C R - 0 0 68 -2,-0.4 141,-0.2 142,-0.1 2,-0.1 -0.774 33.9 -71.1-124.3 171.4 -9.7 -6.8 -25.5 9 37 C Y + 0 0 51 139,-0.3 2,-0.3 -2,-0.3 -1,-0.0 -0.412 49.5 166.4 -70.2 133.6 -8.2 -4.5 -28.1 10 38 C R > - 0 0 46 -2,-0.1 3,-1.4 4,-0.1 138,-0.1 -0.955 40.1-103.7-139.9 135.8 -8.8 -5.1 -31.7 11 39 C A T 3 S+ 0 0 72 -2,-0.3 161,-0.0 1,-0.2 0, 0.0 -0.073 99.5 21.3 -60.5 145.7 -8.0 -2.5 -34.4 12 40 C G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 0, 0.0 160,-0.0 0.207 96.1 117.3 87.8 -18.8 -10.8 -0.4 -36.1 13 41 C E S < S- 0 0 111 -3,-1.4 -1,-0.3 1,-0.1 4,-0.0 -0.409 77.2 -98.3 -73.1 153.3 -13.1 -1.1 -33.2 14 42 C P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.523 27.7-125.7 -71.1 142.9 -14.4 1.9 -31.0 15 43 C P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 133,-0.2 0.912 95.2 34.2 -54.9 -44.7 -12.4 2.3 -27.8 16 44 C L S S- 0 0 13 2,-0.1 33,-0.1 131,-0.1 65,-0.1 -0.798 72.2-138.9-109.5 161.6 -15.6 2.1 -25.7 17 45 C T S S+ 0 0 63 -2,-0.3 29,-0.3 62,-0.2 2,-0.2 0.549 87.1 17.4 -97.1 -13.9 -18.7 0.1 -26.3 18 46 C G S S- 0 0 16 1,-0.2 23,-0.4 27,-0.1 29,-0.2 -0.743 101.2 -55.5-138.7-162.1 -21.1 3.0 -25.3 19 47 C S E -a 47 0A 14 27,-2.5 29,-2.7 -2,-0.2 30,-1.7 -0.182 47.5-120.1 -80.2 166.9 -21.1 6.7 -24.8 20 48 C L E -ab 49 42A 1 21,-3.2 23,-2.2 28,-0.2 2,-0.7 -0.940 21.7-165.9-116.3 109.9 -18.6 8.6 -22.5 21 49 C L E -a 50 0A 29 28,-2.4 30,-2.5 -2,-0.6 2,-0.5 -0.864 4.4-171.1 -92.6 119.1 -20.2 10.6 -19.6 22 50 C I E +a 51 0A 2 -2,-0.7 30,-0.2 21,-0.4 2,-0.2 -0.945 21.0 153.8-111.4 120.5 -17.7 13.0 -18.0 23 51 C G E +a 52 0A 7 28,-3.3 30,-2.5 -2,-0.5 2,-0.2 -0.549 16.1 74.9-131.0-169.2 -19.0 14.7 -14.8 24 52 C G E -a 53 0A 33 28,-0.3 2,-0.3 -2,-0.2 30,-0.2 -0.511 69.2 -83.6 93.6-168.0 -17.9 16.2 -11.6 25 53 C A + 0 0 64 28,-2.0 31,-2.2 -2,-0.2 2,-0.3 -0.998 69.2 65.0-151.2 132.1 -16.3 19.6 -10.9 26 54 C G S S- 0 0 43 -2,-0.3 4,-0.4 29,-0.2 27,-0.1 -0.975 91.4 -42.6 150.5-161.2 -12.8 20.9 -11.0 27 55 C R S S+ 0 0 83 -2,-0.3 -1,-0.1 1,-0.2 26,-0.0 0.445 121.9 52.4 -83.3 -1.7 -9.9 21.7 -13.4 28 56 C V S > S+ 0 0 2 58,-0.1 4,-2.3 2,-0.1 5,-0.3 0.795 83.9 72.7-108.8 -35.1 -10.2 18.5 -15.5 29 57 C V H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.890 102.0 45.0 -53.8 -43.5 -13.8 17.9 -16.8 30 58 C E H > S+ 0 0 158 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.978 117.0 39.9 -68.7 -57.9 -13.7 20.6 -19.4 31 59 C P H > S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.790 115.8 53.7 -60.9 -29.6 -10.2 20.0 -21.0 32 60 C L H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.923 108.0 50.2 -72.1 -42.1 -10.8 16.3 -20.8 33 61 C R H X S+ 0 0 104 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.938 110.3 50.1 -53.2 -53.0 -14.0 16.7 -22.7 34 62 C A H < S+ 0 0 77 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.874 112.9 46.7 -53.7 -46.8 -12.3 18.8 -25.3 35 63 C A H < S+ 0 0 37 -4,-2.1 4,-0.3 1,-0.2 3,-0.2 0.825 118.1 38.6 -62.7 -39.4 -9.5 16.1 -25.8 36 64 C L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.4 0.582 89.8 97.9 -94.8 -9.6 -11.7 13.0 -26.0 37 65 C E T < S+ 0 0 121 -4,-1.4 5,-0.4 1,-0.2 -1,-0.2 0.831 87.6 38.0 -47.2 -50.5 -14.5 14.7 -28.1 38 66 C K T 4 S+ 0 0 95 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.787 123.4 39.5 -79.0 -27.9 -13.5 13.5 -31.6 39 67 C D T 4 S+ 0 0 82 -3,-0.4 2,-0.3 -4,-0.3 -2,-0.2 0.644 116.3 48.8 -95.5 -19.9 -12.3 9.9 -30.6 40 68 C Y S < S- 0 0 21 -4,-2.7 2,-1.1 -25,-0.1 -21,-0.1 -0.775 84.6-112.7-117.2 165.3 -15.1 9.1 -28.0 41 69 C D - 0 0 104 -23,-0.4 -21,-3.2 -2,-0.3 7,-0.2 -0.741 44.0-157.3 -97.0 86.4 -18.9 9.4 -28.0 42 70 C L B b 20 0A 39 -2,-1.1 -21,-0.2 -5,-0.4 -23,-0.1 -0.409 360.0 360.0 -72.6 143.5 -19.4 12.2 -25.4 43 71 C V 0 0 89 -23,-2.2 -21,-0.4 -2,-0.1 -1,-0.1 -0.236 360.0 360.0-143.3 360.0 -22.7 12.7 -23.4 44 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 45 81 C D 0 0 144 0, 0.0 2,-0.1 0, 0.0 -27,-0.1 0.000 360.0 360.0 360.0 119.3 -27.0 3.0 -26.1 46 82 C S - 0 0 33 -29,-0.3 -27,-2.5 33,-0.0 2,-0.6 -0.424 360.0 -90.7 -99.5 174.7 -25.2 2.4 -22.7 47 83 C F E -ac 19 77A 40 29,-2.8 31,-3.3 -29,-0.2 -27,-0.2 -0.839 32.5-176.8 -87.1 121.4 -22.4 4.3 -20.9 48 84 C G E S+ 0 0 0 -29,-2.7 34,-1.4 -2,-0.6 2,-0.3 0.681 74.7 18.7 -89.0 -23.2 -19.1 2.8 -22.0 49 85 C G E -ac 20 82A 0 -30,-1.7 -28,-2.4 32,-0.2 2,-0.4 -0.997 55.8-166.1-150.4 150.2 -17.4 5.1 -19.5 50 86 C L E -ac 21 83A 0 32,-2.9 34,-2.2 -2,-0.3 2,-0.5 -0.977 16.3-178.0-134.8 112.4 -18.1 7.2 -16.4 51 87 C V E -ac 22 84A 1 -30,-2.5 -28,-3.3 -2,-0.4 2,-0.5 -0.972 5.8-166.0-118.1 132.5 -15.4 9.7 -15.5 52 88 C F E -ac 23 85A 10 32,-2.4 34,-2.5 -2,-0.5 2,-0.7 -0.962 15.3-142.1-121.3 121.8 -15.8 11.9 -12.4 53 89 C D E +ac 24 86A 2 -30,-2.5 -28,-2.0 -2,-0.5 3,-0.2 -0.745 26.2 169.2 -81.6 113.0 -13.6 14.9 -11.8 54 90 C A > + 0 0 0 32,-3.3 3,-2.2 -2,-0.7 34,-0.2 0.354 50.8 99.7 -99.9 -0.2 -12.9 15.0 -8.0 55 91 C T T 3 S+ 0 0 10 31,-0.7 -29,-0.2 1,-0.3 -1,-0.1 0.833 74.3 63.2 -64.9 -27.1 -10.3 17.6 -8.1 56 92 C G T 3 S+ 0 0 40 -31,-2.2 2,-0.8 -3,-0.2 -1,-0.3 0.660 79.8 100.1 -63.9 -16.2 -12.8 20.3 -7.1 57 93 C I < + 0 0 18 -3,-2.2 45,-0.1 -32,-0.2 -3,-0.0 -0.635 36.5 158.4 -83.1 108.6 -13.3 18.5 -3.7 58 94 C T + 0 0 53 -2,-0.8 -1,-0.2 43,-0.1 43,-0.1 0.336 59.3 45.0-111.9 2.4 -11.3 20.3 -1.1 59 95 C E S > S- 0 0 80 39,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.992 80.4-117.3-141.8 151.8 -13.1 19.1 2.1 60 96 C P G > S+ 0 0 7 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.871 113.4 65.5 -55.1 -37.0 -14.4 15.8 3.5 61 97 C A G > S+ 0 0 60 1,-0.3 3,-0.6 2,-0.1 630,-0.0 0.745 95.9 60.2 -56.3 -21.4 -18.0 17.4 3.4 62 98 C G G X S+ 0 0 25 -3,-1.7 3,-1.7 1,-0.2 -1,-0.3 0.560 74.6 90.6 -87.2 -6.0 -17.6 17.5 -0.4 63 99 C L G X> + 0 0 0 -3,-2.2 3,-2.2 1,-0.3 4,-0.5 0.722 67.6 80.9 -66.2 -19.6 -17.1 13.7 -1.0 64 100 C K H <> S+ 0 0 80 -3,-0.6 4,-2.7 1,-0.3 -1,-0.3 0.707 73.3 77.2 -53.9 -25.5 -20.9 13.3 -1.4 65 101 C G H <> S+ 0 0 15 -3,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.821 85.4 62.7 -54.7 -32.5 -20.4 14.5 -4.9 66 102 C L H <> S+ 0 0 0 -3,-2.2 4,-2.9 2,-0.2 5,-0.3 0.961 109.2 38.9 -54.4 -52.8 -19.1 11.0 -5.7 67 103 C H H X S+ 0 0 10 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.942 112.3 56.0 -65.0 -47.0 -22.5 9.5 -4.8 68 104 C E H < S+ 0 0 101 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.6 38.7 -58.2 -32.6 -24.5 12.3 -6.4 69 105 C F H < S+ 0 0 31 -4,-1.9 4,-0.5 -5,-0.2 -2,-0.2 0.963 125.1 32.3 -78.6 -56.0 -22.7 11.7 -9.7 70 106 C F H >X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 3,-1.1 0.891 103.2 68.9 -75.3 -41.6 -22.4 7.8 -9.8 71 107 C T T 3< S+ 0 0 23 -4,-1.9 4,-0.4 -5,-0.3 3,-0.3 0.841 103.1 42.8 -53.2 -50.3 -25.5 6.6 -8.0 72 108 C P T 34 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.731 119.8 42.9 -67.0 -23.6 -28.1 7.7 -10.7 73 109 C V T X4 S+ 0 0 28 -3,-1.1 3,-2.0 -4,-0.5 4,-0.3 0.634 85.4 85.8-104.0 -10.7 -26.0 6.5 -13.7 74 110 C L G >< S+ 0 0 23 -4,-1.9 3,-1.7 -3,-0.3 -1,-0.2 0.818 78.5 72.0 -60.7 -28.2 -24.6 3.1 -12.6 75 111 C R G 3 S+ 0 0 92 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.667 103.8 41.9 -55.6 -25.2 -27.9 1.4 -13.9 76 112 C N G < S+ 0 0 81 -3,-2.0 -29,-2.8 -30,-0.1 -1,-0.3 0.361 77.5 129.0-114.6 8.8 -26.6 2.2 -17.4 77 113 C L E < -c 47 0A 19 -3,-1.7 -29,-0.2 -4,-0.3 3,-0.1 -0.387 57.4-126.0 -64.9 133.1 -23.0 1.3 -17.2 78 114 C G E > - 0 0 2 -31,-3.3 3,-1.3 1,-0.2 2,-0.1 -0.196 31.0 -75.8 -84.5 176.3 -22.2 -1.0 -20.1 79 115 C R E 3 S+ 0 0 61 1,-0.3 40,-0.2 40,-0.1 -62,-0.2 -0.504 123.3 9.9 -70.4 141.6 -20.6 -4.4 -20.1 80 116 C C E 3 S+ 0 0 5 38,-2.3 -1,-0.3 37,-0.2 39,-0.2 0.812 100.1 167.2 53.0 32.0 -16.8 -4.1 -19.6 81 117 C G E < - 0 0 0 -3,-1.3 40,-1.6 36,-0.3 2,-0.4 -0.161 30.1-126.5 -71.4 169.3 -17.5 -0.4 -18.8 82 118 C R E -cd 49 121A 6 -34,-1.4 -32,-2.9 38,-0.2 2,-0.5 -0.992 18.2-171.4-129.1 125.1 -14.9 2.0 -17.2 83 119 C V E +cd 50 122A 1 38,-2.5 40,-1.5 -2,-0.4 2,-0.4 -0.950 13.4 174.8-109.5 125.5 -15.3 4.1 -14.1 84 120 C V E -cd 51 123A 1 -34,-2.2 -32,-2.4 -2,-0.5 2,-0.5 -0.997 16.5-161.9-132.6 133.7 -12.4 6.6 -13.4 85 121 C V E -cd 52 124A 0 38,-2.1 40,-3.0 -2,-0.4 2,-0.6 -0.945 11.9-154.8-109.6 131.1 -12.2 9.1 -10.7 86 122 C V E +cd 53 125A 0 -34,-2.5 -32,-3.3 -2,-0.5 -31,-0.7 -0.935 22.8 166.6-111.6 118.3 -9.7 11.9 -11.3 87 123 C G E - d 0 126A 0 38,-2.9 40,-2.4 -2,-0.6 2,-0.4 -0.541 38.5 -96.5-117.3-176.0 -8.3 13.6 -8.2 88 124 C G E - d 0 127A 2 38,-0.3 40,-0.2 -34,-0.2 5,-0.1 -0.872 53.2 -89.5-108.7 138.4 -5.4 15.9 -7.3 89 125 C T > - 0 0 17 38,-1.2 3,-0.8 -2,-0.4 4,-0.3 -0.211 37.8-143.3 -44.0 122.9 -2.2 14.3 -5.9 90 126 C P G > S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.875 95.4 56.5 -68.8 -32.3 -2.9 14.3 -2.2 91 127 C E G 3 S+ 0 0 133 1,-0.3 -2,-0.1 8,-0.1 8,-0.1 0.713 109.2 49.6 -63.0 -26.8 0.7 15.1 -1.1 92 128 C A G < S+ 0 0 48 -3,-0.8 -1,-0.3 7,-0.1 -3,-0.1 0.404 82.8 135.1 -97.2 8.9 0.5 18.3 -3.2 93 129 C A < - 0 0 24 -3,-1.5 3,-0.0 -4,-0.3 -35,-0.0 -0.034 60.2-130.0 -59.8 152.8 -2.9 19.5 -1.9 94 130 C A S S+ 0 0 99 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.521 89.0 20.3 -85.2 -6.7 -3.2 23.2 -1.0 95 131 C S S > S- 0 0 50 1,-0.1 4,-1.9 -37,-0.0 5,-0.1 -0.970 78.8-113.4-149.4 157.5 -4.7 22.4 2.5 96 132 C T H > S+ 0 0 57 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.868 117.4 58.6 -62.5 -31.4 -4.8 19.5 4.9 97 133 C N H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.902 106.8 46.2 -60.9 -43.0 -8.6 19.2 4.3 98 134 C E H > S+ 0 0 27 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.909 110.5 51.8 -69.7 -40.2 -8.0 18.7 0.6 99 135 C R H X S+ 0 0 58 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.946 111.5 48.9 -54.9 -48.1 -5.2 16.1 1.2 100 136 C I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 643,-0.2 0.928 114.3 44.7 -59.6 -47.3 -7.6 14.2 3.5 101 137 C A H X S+ 0 0 0 -4,-2.5 4,-0.6 2,-0.2 -2,-0.2 0.918 116.4 44.6 -69.3 -43.7 -10.5 14.3 0.9 102 138 C Q H >< S+ 0 0 0 -4,-3.1 3,-0.7 1,-0.2 4,-0.3 0.894 112.4 52.4 -66.4 -41.7 -8.3 13.4 -2.1 103 139 C R H >< S+ 0 0 41 -4,-3.2 3,-1.3 -5,-0.2 4,-0.3 0.878 104.3 59.1 -54.4 -48.5 -6.5 10.5 -0.0 104 140 C A H >X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-0.9 0.685 85.1 80.2 -56.0 -22.4 -10.1 9.2 0.9 105 141 C L H S+ 0 0 28 -3,-1.3 4,-1.7 -4,-0.3 5,-0.3 0.831 97.4 53.2 -70.6 -36.6 -9.0 5.4 -2.9 107 143 C G H <> S+ 0 0 0 -3,-0.9 4,-2.1 -4,-0.3 629,-0.3 0.920 112.1 50.2 -59.3 -37.2 -11.4 3.7 -0.4 108 144 C F H X S+ 0 0 0 -4,-1.3 4,-2.1 627,-0.2 -2,-0.2 0.924 111.0 43.7 -67.0 -50.9 -14.2 4.8 -2.8 109 145 C T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.886 115.9 47.0 -72.0 -29.9 -12.7 3.4 -6.1 110 146 C R H X S+ 0 0 14 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.912 113.3 48.4 -77.0 -41.4 -11.5 0.1 -4.6 111 147 C S H >< S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.3 4,-0.3 0.924 112.2 49.3 -63.2 -40.3 -14.9 -0.5 -2.9 112 148 C L H >X S+ 0 0 2 -4,-2.1 3,-1.8 1,-0.2 4,-1.4 0.887 100.9 63.9 -71.9 -31.2 -16.7 0.3 -6.1 113 149 C G H 3< S+ 0 0 2 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 101.1 54.4 -49.1 -32.7 -14.4 -2.1 -8.1 114 150 C K T << S+ 0 0 39 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.426 110.4 44.3 -84.7 -2.1 -16.0 -4.8 -5.9 115 151 C E T <4 S+ 0 0 6 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.611 85.0 105.0-108.4 -25.3 -19.6 -3.9 -6.8 116 152 C L < - 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