==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 10-FEB-03 1NXJ . COMPND 2 MOLECULE: PROBABLE S-ADENOSYLMETHIONINE:2- . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.JOHNSTON,V.L.ARCUS,E.N.BAKER,TB STRUCTURAL GENOMICS . 465 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 14.0 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 1.3 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 . 53 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 3 0 0 2 4 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 3 0 0 6 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 PARALLEL BRIDGES PER LADDER . 1 8 6 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 3 0 0 0 0 3 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 A 0 0 157 0, 0.0 2,-0.5 0, 0.0 59,-0.1 0.000 360.0 360.0 360.0 146.5 31.1 1.5 41.2 2 3 A I - 0 0 70 33,-0.2 2,-0.5 58,-0.1 33,-0.2 -0.775 360.0-144.5 -90.9 125.9 28.7 -0.7 43.0 3 4 A S - 0 0 58 -2,-0.5 33,-0.1 31,-0.1 394,-0.1 -0.799 22.7-116.9 -93.5 126.5 26.6 -3.0 40.8 4 5 A F - 0 0 11 -2,-0.5 31,-0.1 31,-0.2 143,-0.1 -0.207 32.5-176.6 -58.9 149.5 23.0 -3.6 42.0 5 6 A R - 0 0 82 29,-0.2 29,-0.1 143,-0.0 5,-0.1 -0.985 36.9 -94.7-145.9 140.4 22.0 -7.2 42.9 6 7 A P >> - 0 0 45 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.285 31.6-127.3 -56.9 140.2 18.5 -8.4 44.0 7 8 A T H 3> S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.845 109.1 58.5 -59.2 -33.3 18.2 -8.5 47.8 8 9 A A H 3> S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 106.4 47.7 -64.0 -38.5 17.1 -12.1 47.6 9 10 A D H <> S+ 0 0 64 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.877 110.0 52.2 -69.6 -38.8 20.3 -13.1 45.9 10 11 A L H X S+ 0 0 11 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.923 108.9 51.3 -62.7 -42.8 22.4 -11.2 48.4 11 12 A V H X S+ 0 0 48 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.927 107.8 51.6 -59.7 -45.4 20.6 -13.0 51.2 12 13 A D H < S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.1 44.3 -58.2 -38.7 21.3 -16.4 49.5 13 14 A D H < S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.897 117.8 41.7 -71.7 -44.1 25.0 -15.3 49.3 14 15 A I H < S- 0 0 75 -4,-3.1 3,-0.3 1,-0.2 -2,-0.2 0.846 95.3-152.0 -77.1 -37.8 25.3 -13.9 52.9 15 16 A G >< - 0 0 23 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.475 47.3 -24.2 98.2-171.6 23.4 -16.5 54.9 16 17 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.677 129.9 56.3 -51.4 -29.4 21.4 -16.4 58.2 17 18 A D T 3 S+ 0 0 153 -3,-0.3 -2,-0.1 -6,-0.1 -6,-0.0 0.247 75.4 140.7 -93.9 15.0 23.2 -13.4 59.6 18 19 A V < - 0 0 30 -3,-1.8 2,-1.3 -7,-0.1 138,-0.1 -0.218 59.6-120.4 -55.8 142.9 22.4 -11.2 56.6 19 20 A R E +A 155 0A 78 136,-0.5 136,-1.9 2,-0.0 2,-0.5 -0.709 46.8 166.5 -90.4 88.9 21.6 -7.6 57.6 20 21 A S E -A 154 0A 46 -2,-1.3 2,-0.4 134,-0.2 134,-0.2 -0.920 34.2-127.8-110.2 126.0 18.1 -7.3 56.2 21 22 A C - 0 0 7 132,-2.4 132,-0.4 -2,-0.5 115,-0.2 -0.565 13.7-164.5 -74.8 124.3 15.8 -4.4 57.2 22 23 A D + 0 0 116 114,-2.2 2,-0.2 -2,-0.4 114,-0.2 0.609 54.9 110.7 -83.2 -14.2 12.3 -5.5 58.4 23 24 A L - 0 0 56 112,-0.1 2,-0.7 1,-0.1 130,-0.1 -0.452 69.4-130.0 -67.1 128.3 10.8 -2.0 58.1 24 25 A Q - 0 0 162 -2,-0.2 2,-0.3 128,-0.0 -1,-0.1 -0.714 30.8-175.0 -84.3 113.7 8.2 -1.9 55.3 25 26 A F - 0 0 33 -2,-0.7 2,-0.3 70,-0.0 89,-0.2 -0.711 21.6-128.2-105.8 159.4 8.8 1.1 53.0 26 27 A R E -D 113 0B 133 87,-2.9 87,-1.7 -2,-0.3 2,-0.4 -0.786 25.5-124.1-101.2 149.5 6.8 2.4 50.0 27 28 A Q E +D 112 0B 56 -2,-0.3 85,-0.2 85,-0.2 5,-0.1 -0.792 38.0 159.6 -94.8 138.1 8.6 2.9 46.7 28 29 A F + 0 0 13 83,-3.0 84,-0.2 -2,-0.4 -1,-0.1 0.566 41.6 89.1-130.3 -22.7 8.3 6.4 45.2 29 30 A G S S- 0 0 18 82,-1.0 76,-0.2 2,-0.3 81,-0.2 -0.178 82.3-108.4 -83.4 173.5 11.2 6.9 42.7 30 31 A G S S+ 0 0 15 77,-2.6 2,-0.5 79,-0.6 313,-0.4 0.635 106.7 61.5 -70.8 -15.5 11.7 6.3 39.0 31 32 A R B -e 110 0B 35 78,-1.5 80,-0.5 76,-0.3 -2,-0.3 -0.963 58.5-171.2-116.5 128.1 14.0 3.4 40.0 32 33 A S S S+ 0 0 30 -2,-0.5 2,-0.4 309,-0.4 -1,-0.1 0.621 78.0 49.9 -88.6 -13.8 12.8 0.4 42.0 33 34 A Q + 0 0 21 116,-0.1 2,-0.3 308,-0.1 116,-0.2 -0.976 64.0 149.1-129.0 139.2 16.3 -0.9 42.4 34 35 A F E -B 148 0A 1 114,-2.1 114,-3.2 -2,-0.4 2,-0.3 -0.987 16.4-173.5-162.6 158.3 19.5 0.8 43.6 35 36 A A E +B 147 0A 11 -2,-0.3 112,-0.2 112,-0.2 -33,-0.2 -0.974 23.3 124.0-155.8 143.5 22.7 0.2 45.4 36 37 A G E -B 146 0A 1 110,-1.9 110,-2.5 -2,-0.3 25,-0.2 -0.957 57.9 -53.0 174.8 169.3 25.5 2.4 46.7 37 38 A P E -B 145 0A 49 0, 0.0 25,-2.8 0, 0.0 2,-0.2 -0.363 60.4-114.7 -64.3 137.6 27.7 3.6 49.5 38 39 A I E +f 62 0B 5 106,-3.1 105,-2.4 103,-0.3 2,-0.3 -0.527 33.7 173.5 -81.8 136.6 25.8 4.8 52.6 39 40 A S E -f 63 0B 37 23,-2.2 25,-2.6 -2,-0.2 2,-0.3 -0.906 19.6-151.4-129.9 154.9 25.8 8.4 54.0 40 41 A T E +f 64 0B 2 -2,-0.3 90,-2.2 23,-0.2 2,-0.3 -0.961 20.5 178.8-138.3 154.9 23.5 9.4 56.8 41 42 A V E -fG 65 129B 0 23,-1.9 25,-2.6 -2,-0.3 2,-0.5 -0.967 11.3-159.6-150.4 130.7 21.6 12.3 58.3 42 43 A R E +fG 66 128B 77 86,-2.8 86,-2.3 -2,-0.3 2,-0.3 -0.956 32.8 137.3-112.6 132.6 19.3 12.3 61.4 43 44 A C - 0 0 12 23,-2.6 2,-0.3 -2,-0.5 84,-0.1 -0.911 44.1-122.6-157.7-178.9 16.8 15.2 61.6 44 45 A F S S- 0 0 121 82,-0.3 78,-0.1 -2,-0.3 23,-0.1 -0.846 78.9 -37.0-146.4 107.2 13.3 16.0 62.5 45 46 A Q S S+ 0 0 44 -2,-0.3 77,-2.8 22,-0.2 2,-0.3 0.781 114.2 101.3 50.6 32.6 10.8 17.7 60.2 46 47 A D B +l 122 0C 4 75,-0.3 4,-0.2 27,-0.1 77,-0.2 -0.991 44.7 178.7-143.7 132.8 13.6 19.8 58.9 47 48 A N > + 0 0 13 75,-2.2 4,-1.6 -2,-0.3 76,-0.2 0.223 52.7 100.7-125.6 18.9 15.5 19.2 55.6 48 49 A A H > S+ 0 0 27 74,-0.4 4,-1.7 2,-0.2 5,-0.1 0.913 88.2 48.1 -68.8 -39.8 18.1 21.9 55.3 49 50 A L H > S+ 0 0 25 77,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.946 112.4 46.0 -66.2 -49.0 20.9 19.6 56.5 50 51 A L H > S+ 0 0 1 1,-0.2 4,-2.2 -4,-0.2 -1,-0.2 0.824 110.9 55.0 -64.9 -29.5 20.0 16.7 54.2 51 52 A K H X S+ 0 0 88 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.887 106.7 49.7 -70.1 -38.2 19.7 19.0 51.3 52 53 A S H >X S+ 0 0 53 -4,-1.7 3,-0.5 1,-0.2 4,-0.5 0.890 111.2 50.4 -66.5 -37.5 23.2 20.4 51.8 53 54 A V H >< S+ 0 0 4 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.916 110.9 47.8 -64.6 -43.5 24.5 16.8 52.0 54 55 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.549 99.4 70.4 -75.4 -7.1 22.7 16.0 48.7 55 56 A S H << S+ 0 0 60 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.692 84.8 86.4 -80.3 -19.7 24.1 19.1 47.2 56 57 A Q S << S- 0 0 93 -3,-1.1 31,-0.1 -4,-0.5 -3,-0.0 -0.550 94.2 -96.0 -84.0 145.8 27.6 17.5 47.2 57 58 A P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 31,-0.2 -0.277 45.3-165.9 -58.3 143.4 28.8 15.3 44.3 58 59 A S - 0 0 26 29,-2.8 2,-1.6 26,-0.1 -4,-0.0 -0.999 28.1-135.0-139.1 139.3 28.3 11.6 45.0 59 60 A A S S- 0 0 97 -2,-0.4 30,-0.1 1,-0.2 29,-0.1 -0.458 86.1 -56.1 -87.8 63.6 29.6 8.4 43.3 60 61 A G S S+ 0 0 25 -2,-1.6 29,-0.2 28,-1.0 -1,-0.2 0.855 90.4 174.1 69.0 36.3 26.2 6.7 43.2 61 62 A G - 0 0 1 -25,-0.2 29,-2.5 27,-0.1 30,-1.4 -0.187 29.0-134.6 -75.2 167.6 25.7 7.1 47.0 62 63 A V E -fh 38 91B 0 -25,-2.8 -23,-2.2 28,-0.2 2,-0.6 -0.989 13.1-151.9-122.2 126.3 22.6 6.2 49.1 63 64 A L E -fh 39 92B 0 28,-2.3 30,-2.7 -2,-0.4 2,-0.6 -0.890 4.1-159.9-103.6 121.9 21.4 8.7 51.7 64 65 A V E -fh 40 93B 0 -25,-2.6 -23,-1.9 -2,-0.6 2,-0.6 -0.900 10.6-164.8-100.7 120.0 19.6 7.2 54.7 65 66 A I E -fh 41 94B 0 28,-3.4 30,-3.4 -2,-0.6 2,-0.9 -0.918 9.2-160.9-110.6 117.9 17.5 9.9 56.4 66 67 A D E +fh 42 95B 20 -25,-2.6 -23,-2.6 -2,-0.6 30,-0.1 -0.835 22.5 161.2 -99.3 103.1 16.2 9.3 59.9 67 68 A G > - 0 0 1 28,-1.6 3,-1.9 -2,-0.9 -22,-0.2 -0.056 67.5-101.3-107.1 29.0 13.3 11.7 60.4 68 69 A A T 3 - 0 0 63 1,-0.3 28,-0.2 -24,-0.1 -2,-0.1 0.642 64.5 -77.5 61.2 16.2 12.0 9.6 63.3 69 70 A G T 3 S+ 0 0 17 26,-2.7 27,-0.3 1,-0.2 -1,-0.3 0.646 78.1 171.2 71.4 15.0 9.4 8.3 60.9 70 71 A S < - 0 0 22 -3,-1.9 27,-0.5 25,-0.5 -1,-0.2 -0.314 26.0-170.1 -61.2 137.3 7.3 11.4 61.1 71 72 A L + 0 0 93 25,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.126 69.4 89.4-111.1 17.6 4.5 11.6 58.6 72 73 A H S S+ 0 0 86 1,-0.1 2,-0.3 25,-0.1 47,-0.2 0.807 92.3 21.0 -84.7 -34.5 3.8 15.3 59.5 73 74 A T S S- 0 0 6 -3,-0.1 24,-0.7 45,-0.1 2,-0.7 -0.938 79.7-108.4-135.3 159.0 6.2 17.0 57.0 74 75 A A E -ij 97 120B 3 45,-2.8 47,-0.7 -2,-0.3 24,-0.3 -0.775 23.8-175.8 -89.7 117.5 7.9 16.1 53.7 75 76 A L E S+ 0 0 3 22,-2.8 2,-0.4 -2,-0.7 23,-0.2 0.827 77.5 29.7 -79.2 -32.6 11.6 15.6 54.1 76 77 A V E +i 98 0B 0 21,-0.9 23,-2.1 4,-0.1 -1,-0.2 -0.994 66.6 162.9-132.5 135.1 12.0 15.1 50.4 77 78 A G > - 0 0 9 -2,-0.4 4,-2.2 21,-0.2 5,-0.2 -0.570 60.3 -73.0-129.2-165.9 10.0 16.5 47.5 78 79 A D H > S+ 0 0 60 -2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.761 126.8 57.9 -70.2 -19.8 10.8 16.8 43.7 79 80 A V H > S+ 0 0 90 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.968 112.9 36.0 -72.1 -52.4 13.3 19.6 44.3 80 81 A I H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.871 116.8 54.3 -68.8 -36.2 15.6 17.7 46.6 81 82 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.935 111.1 44.8 -62.5 -46.7 15.0 14.4 44.7 82 83 A E H X S+ 0 0 73 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.893 112.6 52.5 -64.4 -39.8 16.1 16.1 41.4 83 84 A L H X S+ 0 0 42 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.951 109.6 48.6 -59.7 -50.1 19.0 17.7 43.2 84 85 A A H >X>S+ 0 0 0 -4,-2.9 5,-2.1 1,-0.2 3,-0.7 0.929 112.9 47.5 -55.8 -48.6 20.1 14.3 44.5 85 86 A R H ><5S+ 0 0 30 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.902 109.8 53.7 -60.2 -41.5 19.8 12.8 41.1 86 87 A S H 3<5S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.693 109.1 48.5 -68.6 -20.7 21.7 15.6 39.5 87 88 A T H <<5S- 0 0 30 -4,-1.3 -29,-2.8 -3,-0.7 -1,-0.2 0.429 125.6 -93.7-100.1 0.1 24.7 15.3 41.9 88 89 A G T <<5S+ 0 0 31 -3,-1.0 -28,-1.0 -4,-0.5 -3,-0.2 0.381 71.7 144.6 110.1 -5.8 25.1 11.5 41.5 89 90 A W < - 0 0 15 -5,-2.1 -1,-0.3 -29,-0.2 -27,-0.2 -0.425 30.4-164.5 -69.7 141.6 23.1 9.9 44.3 90 91 A T + 0 0 15 -29,-2.5 20,-2.3 1,-0.3 2,-0.3 0.650 64.4 9.9-100.0 -19.2 21.4 6.7 43.3 91 92 A G E -hk 62 110B 0 -30,-1.4 -28,-2.3 18,-0.2 2,-0.4 -0.985 49.4-153.3-163.8 151.4 18.9 6.3 46.2 92 93 A L E -hk 63 111B 0 18,-2.2 20,-2.4 -2,-0.3 2,-0.6 -0.994 7.3-163.9-127.4 128.8 17.2 7.9 49.2 93 94 A I E -hk 64 112B 0 -30,-2.7 -28,-3.4 -2,-0.4 2,-0.7 -0.947 15.5-166.5-114.5 108.3 15.9 5.9 52.2 94 95 A V E -hk 65 113B 0 18,-3.5 2,-2.2 -2,-0.6 20,-0.6 -0.852 20.5-163.7-106.4 110.2 13.6 8.2 54.1 95 96 A H E S+h 66 0B 32 -30,-3.4 -26,-2.7 -2,-0.7 -28,-1.6 -0.550 83.0 34.1 -85.4 71.6 12.4 7.2 57.6 96 97 A G E S- 0 0 0 -2,-2.2 18,-2.3 -27,-0.3 19,-0.8 -0.906 102.0 -50.0 175.1-149.0 9.7 9.9 57.3 97 98 A A E -ik 74 115B 0 -24,-0.7 -22,-2.8 -27,-0.5 -21,-0.9 -0.701 34.6-157.7-117.2 165.4 7.5 11.3 54.6 98 99 A V E -ik 76 116B 0 17,-1.8 19,-1.9 -24,-0.3 2,-0.3 -0.824 6.5-148.1-131.6 170.0 7.8 12.8 51.1 99 100 A R S S+ 0 0 82 -23,-2.1 5,-0.1 -2,-0.3 -26,-0.0 -0.833 71.6 47.7-133.2 172.8 5.8 15.1 48.8 100 101 A D >> + 0 0 57 -2,-0.3 4,-2.5 -23,-0.1 3,-1.0 0.851 61.1 167.2 61.7 35.9 5.2 15.5 45.0 101 102 A A H 3> S+ 0 0 38 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.873 71.1 55.7 -47.8 -45.9 4.6 11.7 44.8 102 103 A A H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.868 113.8 41.1 -58.0 -36.7 3.2 12.0 41.3 103 104 A A H X4 S+ 0 0 42 -3,-1.0 3,-1.7 1,-0.2 -2,-0.2 0.815 104.1 65.8 -81.1 -32.6 6.5 13.7 40.2 104 105 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -74,-0.6 0.832 91.7 62.4 -59.3 -34.7 8.8 11.5 42.2 105 106 A R T 3< S+ 0 0 177 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.661 102.5 54.6 -66.0 -13.5 7.9 8.5 40.0 106 107 A G T < S+ 0 0 35 -3,-1.7 2,-0.5 -4,-0.1 -1,-0.3 0.213 87.2 92.7-105.0 13.6 9.3 10.4 37.1 107 108 A I S < S- 0 0 15 -3,-1.9 2,-2.6 2,-0.2 -77,-2.6 -0.946 80.2-125.2-111.4 126.9 12.8 11.1 38.6 108 109 A D S S+ 0 0 11 -2,-0.5 2,-0.3 -78,-0.2 207,-0.1 -0.359 77.8 88.0 -71.0 66.5 15.5 8.7 37.8 109 110 A I S S- 0 0 0 -2,-2.6 -78,-1.5 -5,-0.3 -79,-0.6 -0.975 80.2-102.3-157.2 154.3 16.5 7.8 41.4 110 111 A G E +ek 31 91B 0 -20,-2.3 -18,-2.2 -2,-0.3 2,-0.4 -0.660 39.0 179.6 -84.4 139.2 15.5 5.3 44.0 111 112 A I E + k 0 92B 0 -80,-0.5 -83,-3.0 -2,-0.3 -82,-1.0 -0.948 9.1 176.5-145.9 122.1 13.2 6.6 46.8 112 113 A K E +Dk 27 93B 9 -20,-2.4 -18,-3.5 -2,-0.4 2,-0.3 -0.971 14.4 151.8-123.9 139.1 11.7 4.8 49.8 113 114 A A E -Dk 26 94B 0 -87,-1.7 -87,-2.9 -2,-0.4 -16,-0.2 -0.949 50.5-113.1-155.3 170.5 9.7 6.4 52.5 114 115 A L E S- 0 0 50 -18,-2.3 2,-0.3 -20,-0.6 -17,-0.2 0.679 82.5 -52.9 -84.4 -20.6 6.9 5.6 55.0 115 116 A G E - 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