==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (BINDING PROTEIN/PEPTIDE) 10-SEP-95 1OLC . COMPND 2 MOLECULE: OLIGO-PEPTIDE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.TAME,A.J.WILKINSON . 521 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.2 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 . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 2 1 2 0 2 3 0 1 0 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 0 0 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 PARALLEL BRIDGES PER LADDER . 5 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 A 0 0 11 0, 0.0 2,-0.7 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 143.5 1.9 8.2 -8.1 2 2 A D - 0 0 132 509,-0.5 495,-0.1 495,-0.0 511,-0.1 -0.861 360.0-157.4-114.2 92.1 1.1 4.6 -9.0 3 3 A V - 0 0 53 -2,-0.7 3,-0.1 1,-0.1 509,-0.0 -0.501 17.4-122.3 -74.0 124.2 -2.2 4.7 -10.9 4 4 A P > - 0 0 66 0, 0.0 3,-1.2 0, 0.0 2,-0.3 -0.187 33.8 -94.1 -60.9 155.9 -4.1 1.4 -10.9 5 5 A A T 3 S+ 0 0 109 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.610 110.9 24.7 -79.8 131.3 -5.0 -0.2 -14.2 6 6 A G T 3 S+ 0 0 67 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.274 84.9 127.5 100.3 -10.5 -8.5 0.8 -15.3 7 7 A V < - 0 0 48 -3,-1.2 2,-0.5 508,-0.0 -1,-0.4 -0.673 53.5-140.6 -77.8 137.4 -8.7 4.1 -13.4 8 8 A Q - 0 0 121 -2,-0.3 508,-3.3 508,-0.1 2,-0.3 -0.907 16.8-142.0-100.1 123.6 -9.7 7.0 -15.7 9 9 A L B -A 515 0A 67 -2,-0.5 506,-0.3 506,-0.3 4,-0.1 -0.664 17.5-112.0 -90.3 139.9 -7.8 10.2 -14.9 10 10 A A - 0 0 17 504,-2.0 504,-0.1 -2,-0.3 506,-0.1 -0.227 22.1-123.7 -61.1 161.0 -9.4 13.6 -15.0 11 11 A D S S+ 0 0 146 1,-0.1 2,-0.7 504,-0.1 -1,-0.1 0.840 101.3 55.9 -76.6 -36.7 -8.2 15.9 -17.7 12 12 A K S S- 0 0 157 2,-0.1 2,-1.0 206,-0.0 -1,-0.1 -0.868 71.1-165.8-101.2 114.5 -7.2 18.7 -15.3 13 13 A Q + 0 0 15 -2,-0.7 206,-2.5 204,-0.1 207,-1.2 -0.712 39.3 127.2 -99.7 79.3 -4.8 17.3 -12.6 14 14 A T E -b 220 0B 63 -2,-1.0 2,-0.4 204,-0.2 207,-0.2 -0.937 37.2-161.5-131.4 155.7 -4.9 20.0 -10.0 15 15 A L E -b 221 0B 1 205,-2.2 207,-2.6 -2,-0.3 2,-0.5 -0.999 9.0-155.4-140.7 144.0 -5.6 19.7 -6.2 16 16 A V E -b 222 0B 33 -2,-0.4 226,-2.0 205,-0.2 227,-1.3 -0.979 17.4-178.3-120.2 122.0 -6.7 22.2 -3.5 17 17 A R E -bc 223 243B 1 205,-3.0 207,-2.1 -2,-0.5 2,-0.3 -0.956 25.2-133.1-115.5 141.2 -5.8 21.3 0.1 18 18 A N E -b 224 0B 2 225,-2.4 228,-0.1 -2,-0.4 205,-0.0 -0.732 19.3-169.5 -86.9 142.8 -6.6 23.3 3.3 19 19 A N - 0 0 2 205,-2.6 2,-0.7 -2,-0.3 19,-0.1 0.147 34.6-117.3-120.4 14.4 -3.4 23.6 5.4 20 20 A G S S- 0 0 6 206,-0.4 2,-0.3 204,-0.1 -2,-0.0 0.014 76.5 -8.8 81.3 -36.2 -4.7 24.9 8.7 21 21 A S S S- 0 0 10 -2,-0.7 2,-0.4 203,-0.3 205,-0.2 -0.967 89.8 -59.3-173.8 177.5 -2.9 28.2 8.9 22 22 A E - 0 0 13 203,-0.3 376,-0.3 -2,-0.3 14,-0.1 -0.639 62.2-114.3 -75.8 130.1 -0.2 30.5 7.3 23 23 A V - 0 0 8 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.251 8.6-130.9 -66.1 153.1 3.1 28.7 7.5 24 24 A Q S S- 0 0 53 1,-0.3 2,-0.3 -3,-0.0 -1,-0.1 0.882 80.1 -32.4 -72.2 -28.8 5.9 30.1 9.6 25 25 A S - 0 0 25 1,-0.1 -1,-0.3 3,-0.0 6,-0.0 -0.989 39.1-126.6-178.1 164.3 8.3 29.8 6.6 26 26 A L S S+ 0 0 9 -2,-0.3 -1,-0.1 -3,-0.1 5,-0.1 0.383 80.7 101.8-103.6 -4.3 9.3 27.9 3.5 27 27 A D > - 0 0 9 1,-0.1 3,-2.5 150,-0.1 4,-0.4 -0.742 69.3-144.5 -82.5 120.0 12.9 27.4 4.7 28 28 A P T 3 S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.629 97.4 56.7 -57.2 -17.9 13.3 23.8 6.0 29 29 A H T 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.491 107.0 49.8 -94.5 -2.3 15.7 25.0 8.7 30 30 A K S < S+ 0 0 84 -3,-2.5 2,-0.2 77,-0.2 -1,-0.2 0.319 92.4 91.7-116.6 5.9 13.2 27.4 10.1 31 31 A I + 0 0 3 -4,-0.4 78,-0.1 -3,-0.2 132,-0.1 -0.689 31.2 165.9-105.3 158.1 10.1 25.3 10.5 32 32 A E + 0 0 1 -2,-0.2 488,-2.3 488,-0.1 2,-0.2 0.464 51.7 82.0-143.3 -9.0 8.6 23.3 13.3 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.0 1,-0.1 488,-0.2 -0.491 76.0-114.3-109.2 179.4 5.0 22.5 12.4 34 34 A V H > S+ 0 0 5 486,-2.7 4,-2.5 2,-0.2 5,-0.2 0.959 115.8 51.0 -67.5 -49.2 2.6 20.2 10.5 35 35 A P H > S+ 0 0 0 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.907 113.0 47.3 -53.3 -49.0 1.4 23.0 8.2 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.886 113.4 47.9 -58.2 -43.2 5.0 23.9 7.4 37 37 A S H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.842 103.1 61.6 -72.8 -30.8 6.0 20.2 6.8 38 38 A N H < S+ 0 0 4 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.917 113.5 35.8 -60.1 -49.2 3.0 19.5 4.5 39 39 A V H >X S+ 0 0 0 -4,-1.3 4,-1.2 -5,-0.2 3,-1.0 0.911 113.4 59.5 -72.5 -38.7 4.3 22.1 2.0 40 40 A S H >X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 3,-0.7 0.875 97.8 58.9 -60.0 -40.3 7.9 21.2 2.7 41 41 A R H 3< S+ 0 0 14 -4,-2.4 149,-0.4 1,-0.3 -1,-0.2 0.716 106.5 48.1 -61.6 -25.4 7.5 17.5 1.6 42 42 A D H <4 S+ 0 0 2 -3,-1.0 149,-2.0 -4,-0.5 -1,-0.3 0.774 120.7 36.5 -85.3 -22.4 6.4 18.6 -1.9 43 43 A L H << S+ 0 0 0 -4,-1.2 146,-2.7 -3,-0.7 145,-1.0 0.802 117.1 37.4 -97.1 -39.0 9.3 21.1 -2.3 44 44 A F < - 0 0 5 -4,-2.6 2,-0.4 144,-0.2 -1,-0.2 -0.977 62.4-162.7-125.8 130.5 12.4 19.6 -0.7 45 45 A E - 0 0 9 -2,-0.4 4,-0.1 -3,-0.1 115,-0.1 -0.950 6.7-168.6-115.4 135.1 13.5 16.0 -0.7 46 46 A G - 0 0 5 -2,-0.4 14,-2.5 2,-0.4 15,-0.2 -0.035 47.9 -66.0-100.9-159.9 16.1 14.4 1.6 47 47 A L S S+ 0 0 1 117,-0.4 12,-2.4 112,-0.3 14,-1.6 0.907 117.6 17.5 -61.0 -47.4 17.9 11.1 1.8 48 48 A L E -N 58 0D 2 111,-0.7 -2,-0.4 10,-0.3 2,-0.3 -0.864 66.4-169.1-122.0 158.5 14.8 9.0 2.4 49 49 A I E -N 57 0D 12 8,-2.5 8,-3.5 -2,-0.3 2,-0.4 -0.772 31.6 -99.9-132.1 173.2 11.1 9.7 1.9 50 50 A S E -N 56 0D 3 -2,-0.3 458,-0.0 6,-0.2 2,-0.0 -0.847 29.0-133.8 -97.7 142.8 8.1 7.7 3.1 51 51 A D > - 0 0 57 4,-2.1 3,-1.7 -2,-0.4 455,-0.1 -0.155 45.9 -82.0 -78.1-177.9 6.2 5.4 0.7 52 52 A V T 3 S+ 0 0 64 1,-0.3 449,-0.4 2,-0.1 450,-0.4 0.637 133.0 49.4 -70.0 -5.6 2.3 5.6 0.7 53 53 A E T 3 S- 0 0 77 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.485 122.8-102.9-108.8 1.2 2.1 3.3 3.7 54 54 A G S < S+ 0 0 17 -3,-1.7 -2,-0.1 1,-0.3 3,-0.0 0.513 70.6 141.7 97.3 -0.6 4.6 5.3 5.7 55 55 A H - 0 0 95 1,-0.1 -4,-2.1 -5,-0.0 -1,-0.3 -0.670 60.8-104.8 -83.7 141.8 7.7 3.2 5.5 56 56 A P E +N 50 0D 49 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.355 55.3 167.8 -58.2 122.8 11.1 4.9 5.1 57 57 A S E -N 49 0D 23 -8,-3.5 -8,-2.5 -6,-0.0 2,-0.1 -0.904 40.3 -61.4-136.2 173.2 12.1 4.5 1.4 58 58 A P E +N 48 0D 52 0, 0.0 -10,-0.3 0, 0.0 4,-0.2 -0.297 52.7 156.8 -62.1 130.0 14.7 5.8 -1.0 59 59 A G S S- 0 0 0 -12,-2.4 -12,-0.2 2,-0.6 -11,-0.2 0.310 80.7 -19.2-116.3-111.9 14.6 9.6 -1.7 60 60 A V S S+ 0 0 0 -14,-2.5 17,-3.1 -12,-0.1 2,-0.5 0.887 132.0 70.6 -67.2 -35.3 17.8 11.2 -3.0 61 61 A A E -O 76 0E 0 -14,-1.6 -2,-0.6 15,-0.3 15,-0.3 -0.709 64.7-168.2 -85.3 123.9 19.7 8.2 -1.7 62 62 A E E S- 0 0 82 13,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.783 73.5 -2.6 -74.7 -40.7 19.1 5.0 -3.7 63 63 A K E -O 75 0E 98 12,-1.3 12,-3.1 2,-0.0 2,-0.3 -0.987 63.7-171.6-154.1 159.0 20.8 2.8 -1.1 64 64 A W E -O 74 0E 68 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.961 3.1-164.0-151.0 161.5 22.6 3.1 2.1 65 65 A E E -O 73 0E 89 8,-1.9 8,-3.0 -2,-0.3 2,-0.3 -0.926 7.8-148.5-142.5 162.7 24.6 0.9 4.6 66 66 A N E -O 72 0E 66 -2,-0.3 2,-0.5 6,-0.3 6,-0.2 -0.958 8.0-146.5-135.1 155.1 25.7 1.2 8.1 67 67 A K E >> S-O 71 0E 134 4,-2.0 3,-2.1 -2,-0.3 4,-1.6 -0.979 88.1 -25.5-120.6 107.7 28.7 -0.1 10.0 68 68 A D T 34 S- 0 0 104 -2,-0.5 4,-0.1 1,-0.3 -1,-0.1 0.744 108.0 -75.8 62.7 22.7 27.8 -1.0 13.6 69 69 A F T 34 S+ 0 0 86 2,-0.2 83,-2.3 82,-0.2 -1,-0.3 0.609 128.0 84.5 64.0 17.1 24.8 1.5 13.5 70 70 A K T <4 S+ 0 0 82 -3,-2.1 78,-3.4 1,-0.3 2,-0.5 0.747 82.0 45.2-122.4 -30.4 27.5 4.2 13.9 71 71 A V E < -OP 67 147E 36 -4,-1.6 -4,-2.0 76,-0.2 2,-0.4 -0.969 69.3-171.0-120.5 114.8 28.8 5.0 10.4 72 72 A W E -OP 66 146E 6 74,-2.5 74,-2.6 -2,-0.5 2,-0.5 -0.916 3.8-162.9-109.1 129.2 26.0 5.4 7.8 73 73 A T E -OP 65 145E 22 -8,-3.0 -8,-1.9 -2,-0.4 2,-0.5 -0.972 2.0-163.9-118.9 126.8 26.8 5.7 4.1 74 74 A F E -OP 64 144E 0 70,-3.0 70,-2.0 -2,-0.5 2,-0.8 -0.901 8.8-153.0-112.6 126.7 24.3 6.9 1.6 75 75 A H E -OP 63 143E 41 -12,-3.1 -13,-2.0 -2,-0.5 -12,-1.3 -0.887 21.0-146.4 -98.3 105.6 24.7 6.4 -2.2 76 76 A L E -O 61 0E 4 66,-2.2 -15,-0.3 -2,-0.8 -16,-0.1 -0.540 20.3-106.2 -77.4 139.8 22.9 9.3 -3.9 77 77 A R > - 0 0 28 -17,-3.1 3,-1.4 -2,-0.2 11,-0.2 -0.311 22.0-132.6 -66.3 141.3 21.2 8.7 -7.2 78 78 A E T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -2,-0.1 10,-0.1 0.798 101.0 52.2 -66.7 -26.3 23.0 10.2 -10.2 79 79 A N T 3 S+ 0 0 83 8,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.250 73.6 125.2 -96.7 15.2 19.9 11.9 -11.8 80 80 A A < + 0 0 2 -3,-1.4 8,-2.2 8,-0.2 2,-0.3 -0.579 41.4 176.4 -72.3 127.0 18.8 13.8 -8.6 81 81 A K B -R 87 0F 84 -2,-0.3 130,-0.2 128,-0.3 2,-0.1 -0.981 32.7-120.5-135.5 158.2 18.5 17.5 -9.6 82 82 A W > - 0 0 5 4,-3.7 3,-1.8 -2,-0.3 106,-0.2 -0.350 44.9-100.6 -79.2 165.6 17.5 20.9 -8.4 83 83 A S T 3 S+ 0 0 27 104,-2.4 105,-0.1 1,-0.3 126,-0.1 0.639 121.9 59.9 -68.9 -12.4 14.7 22.8 -10.2 84 84 A D T 3 S- 0 0 84 2,-0.2 -1,-0.3 103,-0.1 102,-0.0 0.353 122.7-103.5 -93.1 3.4 17.3 25.0 -12.0 85 85 A G S < S+ 0 0 29 -3,-1.8 -2,-0.1 1,-0.3 0, 0.0 0.321 80.4 129.2 94.7 -8.5 18.8 21.8 -13.5 86 86 A T - 0 0 63 1,-0.1 -4,-3.7 -5,-0.1 -1,-0.3 -0.542 62.7-101.4 -81.6 151.6 21.9 21.6 -11.3 87 87 A P B -R 81 0F 71 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.322 19.5-125.9 -70.5 148.9 22.6 18.3 -9.6 88 88 A V + 0 0 2 -8,-2.2 2,-0.3 -11,-0.2 -8,-0.2 -0.854 43.1 177.6 -90.6 123.8 21.9 17.4 -6.0 89 89 A T >> - 0 0 21 -2,-0.5 3,-1.0 1,-0.1 4,-0.8 -0.815 47.8-100.1-123.8 175.9 25.2 16.1 -4.6 90 90 A A H >> S+ 0 0 0 51,-2.7 4,-1.8 -2,-0.3 3,-0.5 0.818 119.2 65.4 -60.9 -32.0 26.6 14.9 -1.3 91 91 A H H 3> S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.812 94.3 58.4 -59.0 -34.0 28.1 18.5 -0.9 92 92 A D H <> S+ 0 0 25 -3,-1.0 4,-2.5 1,-0.2 75,-0.5 0.866 107.5 46.9 -61.4 -40.3 24.6 19.9 -0.7 93 93 A F H X - 0 0 49 -4,-1.7 3,-2.6 1,-0.1 4,-0.7 -0.429 67.7-142.7 -61.2 119.4 24.8 26.4 13.2 103 103 A P G >4 S+ 0 0 66 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.770 99.4 65.1 -52.2 -34.2 23.7 28.5 16.2 104 104 A N G 34 S+ 0 0 144 1,-0.2 -5,-0.1 2,-0.1 -2,-0.1 0.729 94.3 57.9 -63.0 -28.0 23.3 31.5 13.8 105 105 A T G <4 S- 0 0 12 -3,-2.6 -1,-0.2 -6,-0.3 -5,-0.1 0.739 90.0-155.5 -73.4 -28.1 20.5 29.7 11.9 106 106 A A << - 0 0 71 -4,-0.7 -2,-0.1 -3,-0.7 -5,-0.1 0.911 19.1-173.1 55.6 45.3 18.6 29.5 15.1 107 107 A S > - 0 0 5 -7,-0.4 3,-2.2 -5,-0.4 4,-0.3 -0.517 30.5-141.7 -74.8 137.1 16.6 26.5 13.9 108 108 A P T 3 S+ 0 0 23 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.739 108.9 49.7 -64.6 -19.9 13.8 25.3 16.1 109 109 A Y T > S+ 0 0 1 -80,-0.4 3,-2.1 1,-0.2 4,-0.4 0.127 70.9 118.7-106.1 27.0 14.9 21.9 15.0 110 110 A A T X S+ 0 0 18 -3,-2.2 3,-1.6 1,-0.3 4,-0.4 0.923 74.7 58.7 -53.4 -44.0 18.7 22.4 15.8 111 111 A S T 3> S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.3 3,-0.5 0.552 78.6 86.7 -63.2 -12.7 18.4 19.6 18.2 112 112 A Y H <> S+ 0 0 4 -3,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.821 88.3 53.9 -60.9 -26.3 17.2 17.1 15.5 113 113 A L H <>>S+ 0 0 4 -3,-1.6 5,-1.9 -4,-0.4 4,-0.6 0.830 106.9 51.7 -76.6 -24.7 21.0 16.4 14.9 114 114 A Q H >45S+ 0 0 19 -3,-0.5 3,-0.8 -4,-0.4 -2,-0.2 0.908 103.9 56.5 -71.7 -38.7 21.3 15.7 18.7 115 115 A Y H 3<5S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 113.3 41.1 -59.5 -36.7 18.4 13.2 18.4 116 116 A G H 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.589 108.0-133.3 -83.1 -15.5 20.5 11.4 15.7 117 117 A H T <<5 - 0 0 49 -3,-0.8 32,-2.6 -4,-0.6 33,-0.4 0.846 29.9-173.8 58.1 44.4 23.7 11.8 17.7 118 118 A I B > < -S 148 0G 1 -5,-1.9 3,-1.7 30,-0.2 30,-0.3 -0.414 41.2 -87.1 -64.8 138.2 25.9 13.1 14.8 119 119 A A T 3 S+ 0 0 18 28,-3.4 16,-2.4 16,-0.3 -1,-0.1 -0.240 107.3 5.6 -51.8 137.4 29.4 13.4 16.0 120 120 A N T >> S+ 0 0 63 14,-0.2 4,-1.8 -3,-0.1 3,-0.6 0.329 84.2 128.5 71.8 2.5 30.3 16.8 17.6 121 121 A I H <> + 0 0 6 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.875 67.3 57.1 -55.2 -42.2 26.8 18.2 17.6 122 122 A D H 3> S+ 0 0 89 -4,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.860 109.9 43.9 -58.3 -41.3 26.7 19.2 21.3 123 123 A D H <4>S+ 0 0 52 -3,-0.6 5,-1.5 2,-0.2 6,-1.4 0.827 113.2 52.0 -74.8 -33.9 29.9 21.4 21.0 124 124 A I H ><5S+ 0 0 1 -4,-1.8 3,-1.3 4,-0.2 -2,-0.2 0.909 110.3 47.7 -69.8 -42.2 28.6 23.0 17.7 125 125 A I H 3<5S+ 0 0 50 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.905 111.1 52.5 -61.7 -41.7 25.3 23.9 19.3 126 126 A A T 3<5S- 0 0 58 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.313 114.9-112.7 -77.6 4.2 27.1 25.3 22.3 127 127 A G T < 5S+ 0 0 62 -3,-1.3 -3,-0.2 2,-0.3 -4,-0.1 0.404 88.7 113.3 77.9 -0.4 29.4 27.6 20.3 128 128 A K S - 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