==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 05-JAN-99 1B46 . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,S.H.SLEIGH,A.J.WILKINSON . 520 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.7 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 . 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 . 38 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 23.8 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 4 1 1 2 0 2 3 0 1 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 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 1 A A 0 0 16 0, 0.0 2,-0.6 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 151.8 2.1 7.3 -8.2 2 2 A D - 0 0 129 509,-0.4 511,-0.1 511,-0.0 495,-0.0 -0.950 360.0-157.3-116.2 94.0 1.4 3.7 -9.1 3 3 A V - 0 0 54 -2,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.756 20.1-120.1 -79.6 123.2 -2.0 3.8 -10.9 4 4 A P > - 0 0 64 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.247 37.9 -83.8 -61.4 150.8 -3.7 0.4 -10.7 5 5 A A T 3 S+ 0 0 108 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.237 111.1 13.0 -56.9 135.3 -4.6 -1.5 -13.9 6 6 A G T 3 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.205 83.6 131.5 86.2 -16.1 -7.9 -0.3 -15.4 7 7 A V < - 0 0 45 -3,-1.8 2,-0.5 1,-0.0 -1,-0.2 -0.545 53.3-135.6 -73.9 139.2 -8.5 2.9 -13.5 8 8 A Q - 0 0 133 -2,-0.2 508,-2.5 508,-0.1 2,-0.3 -0.841 19.2-136.1 -91.0 131.2 -9.4 5.7 -15.9 9 9 A L B -A 515 0A 68 -2,-0.5 506,-0.3 506,-0.3 4,-0.1 -0.652 19.6-109.3 -88.4 145.2 -7.6 8.9 -15.0 10 10 A A - 0 0 13 504,-2.5 504,-0.1 -2,-0.3 506,-0.1 -0.258 23.6-124.2 -62.8 154.0 -9.4 12.3 -15.0 11 11 A D S S+ 0 0 153 1,-0.1 2,-0.6 504,-0.1 -1,-0.1 0.847 101.1 54.2 -69.4 -39.0 -8.4 14.6 -17.9 12 12 A K S S- 0 0 142 2,-0.1 2,-1.0 206,-0.0 -1,-0.1 -0.912 72.0-162.4-100.2 121.2 -7.4 17.4 -15.4 13 13 A Q + 0 0 13 -2,-0.6 206,-2.5 204,-0.1 207,-1.1 -0.694 40.0 131.0-105.2 75.4 -5.0 16.2 -12.8 14 14 A T E -b 220 0B 35 -2,-1.0 2,-0.4 204,-0.2 207,-0.2 -0.925 34.4-163.5-127.7 154.2 -5.3 18.9 -10.2 15 15 A L E -b 221 0B 1 205,-2.0 207,-2.5 -2,-0.3 2,-0.5 -0.991 10.3-158.4-138.7 144.8 -5.8 18.7 -6.4 16 16 A V E -b 222 0B 28 -2,-0.4 226,-1.9 205,-0.2 227,-1.5 -0.987 17.4-179.6-124.7 120.5 -6.9 21.0 -3.6 17 17 A R E -bc 223 243B 0 205,-3.3 207,-2.1 -2,-0.5 2,-0.3 -0.971 24.9-133.9-117.8 139.3 -5.9 20.1 -0.1 18 18 A N E -b 224 0B 2 225,-2.5 228,-0.1 -2,-0.4 209,-0.0 -0.645 17.2-168.3 -84.5 146.9 -6.7 22.0 3.1 19 19 A N - 0 0 3 205,-2.3 2,-0.5 -2,-0.3 19,-0.1 0.122 34.8-117.7-125.5 18.1 -3.6 22.4 5.2 20 20 A G S S- 0 0 11 206,-0.4 2,-0.3 208,-0.1 377,-0.1 0.092 78.3 -2.4 75.7 -28.8 -5.0 23.6 8.5 21 21 A S S S- 0 0 11 -2,-0.5 2,-0.3 203,-0.4 205,-0.2 -0.957 89.8 -64.8-175.9 172.4 -3.3 27.0 8.7 22 22 A E - 0 0 12 203,-0.3 376,-0.3 -2,-0.3 14,-0.1 -0.638 63.2-109.3 -71.5 134.5 -0.8 29.4 7.1 23 23 A V - 0 0 6 -2,-0.3 3,-0.1 12,-0.1 -1,-0.1 -0.230 9.4-132.3 -63.7 155.3 2.6 27.9 7.1 24 24 A Q S S- 0 0 49 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.876 80.3 -41.6 -68.6 -36.9 5.4 29.3 9.3 25 25 A S - 0 0 21 1,-0.0 -1,-0.3 3,-0.0 0, 0.0 -0.943 40.5-121.5-175.0 173.4 7.7 29.2 6.3 26 26 A L S S+ 0 0 8 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.283 80.3 106.3-113.3 0.2 8.8 27.2 3.3 27 27 A D >> - 0 0 9 1,-0.1 3,-2.6 150,-0.1 4,-0.6 -0.707 68.3-143.7 -81.7 118.7 12.4 27.0 4.5 28 28 A P T 34 S+ 0 0 0 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.704 98.2 53.9 -53.3 -26.4 13.1 23.5 5.7 29 29 A H T 34 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.518 109.2 47.9 -87.2 -4.7 15.4 24.8 8.5 30 30 A K T <4 S+ 0 0 78 -3,-2.6 2,-0.2 77,-0.2 -1,-0.2 0.398 97.1 84.6-113.0 -2.8 12.8 27.2 9.9 31 31 A I < + 0 0 4 -4,-0.6 78,-0.1 -3,-0.2 -5,-0.1 -0.656 31.1 159.6-101.8 160.4 9.7 24.9 10.1 32 32 A E + 0 0 9 -2,-0.2 -1,-0.1 76,-0.1 131,-0.1 0.536 46.3 94.9-141.2 -28.8 8.4 22.5 12.7 33 33 A G S > S- 0 0 0 486,-0.2 4,-2.3 1,-0.1 488,-0.2 -0.129 74.9-114.6 -79.4 173.6 4.6 21.9 12.1 34 34 A V H > S+ 0 0 4 486,-2.1 4,-2.4 1,-0.2 5,-0.2 0.929 117.5 49.6 -64.0 -46.4 2.4 19.4 10.4 35 35 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.929 112.9 47.4 -59.6 -44.9 1.1 22.1 8.0 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.903 112.7 48.3 -60.1 -45.9 4.6 23.1 7.2 37 37 A S H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.822 102.9 62.9 -67.7 -32.6 5.8 19.6 6.6 38 38 A N H X S+ 0 0 2 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.923 112.1 36.0 -57.4 -43.8 2.8 18.8 4.4 39 39 A V H >X S+ 0 0 0 -4,-1.4 4,-1.1 -5,-0.2 3,-1.0 0.916 112.6 60.9 -76.8 -39.7 4.0 21.4 1.8 40 40 A S H >X S+ 0 0 5 -4,-2.5 4,-2.8 1,-0.3 3,-0.7 0.878 96.1 59.5 -58.1 -38.6 7.7 20.6 2.5 41 41 A R H 3< S+ 0 0 13 -4,-2.4 149,-0.4 1,-0.3 -1,-0.3 0.852 106.4 48.9 -64.8 -26.1 7.4 16.9 1.3 42 42 A D H << S+ 0 0 1 -3,-1.0 149,-2.4 -4,-0.6 -1,-0.3 0.757 121.3 33.3 -78.6 -28.1 6.2 18.1 -2.1 43 43 A L H << S+ 0 0 1 -4,-1.1 146,-2.6 -3,-0.7 145,-1.1 0.762 117.3 40.5 -96.6 -37.1 9.1 20.6 -2.6 44 44 A F < - 0 0 5 -4,-2.8 2,-0.5 144,-0.2 -1,-0.2 -0.980 62.6-161.1-124.0 130.6 12.2 19.3 -0.9 45 45 A E - 0 0 6 -2,-0.4 4,-0.1 -3,-0.1 115,-0.1 -0.937 6.9-162.6-117.3 126.1 13.4 15.7 -0.9 46 46 A G - 0 0 4 -2,-0.5 14,-3.0 2,-0.4 15,-0.3 0.031 46.6 -73.5 -83.9-165.0 15.9 14.3 1.6 47 47 A L S S+ 0 0 1 117,-0.4 12,-2.1 112,-0.3 14,-1.7 0.916 118.0 17.7 -59.3 -47.0 18.0 11.1 1.5 48 48 A L E -G 58 0C 1 111,-0.7 -2,-0.4 10,-0.2 2,-0.3 -0.848 68.8-165.3-121.8 165.4 15.0 8.9 2.1 49 49 A I E -G 57 0C 11 8,-2.6 8,-2.7 -2,-0.3 2,-0.4 -0.876 30.7-100.9-139.2 163.8 11.3 9.4 1.8 50 50 A S E -G 56 0C 3 -2,-0.3 5,-0.1 6,-0.2 452,-0.0 -0.792 34.3-135.7 -83.6 146.1 8.3 7.4 3.1 51 51 A D > - 0 0 51 4,-2.3 3,-1.9 -2,-0.4 455,-0.1 -0.154 44.8 -77.6 -81.5-170.4 6.6 5.2 0.5 52 52 A V T 3 S+ 0 0 55 1,-0.3 447,-0.4 2,-0.1 449,-0.4 0.657 135.2 45.3 -66.8 -15.9 2.7 5.1 0.3 53 53 A E T 3 S- 0 0 87 448,-0.1 -1,-0.3 2,-0.1 452,-0.1 0.320 123.5-100.7-104.1 2.5 2.5 2.9 3.4 54 54 A G S < S+ 0 0 20 -3,-1.9 -2,-0.1 1,-0.3 3,-0.0 0.542 71.2 146.6 94.6 -1.0 5.0 4.9 5.4 55 55 A H - 0 0 97 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.3 -0.605 59.0-107.8 -72.3 133.7 8.1 2.7 5.0 56 56 A P E +G 50 0C 47 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.380 57.0 166.5 -57.5 129.5 11.4 4.5 4.8 57 57 A S E -G 49 0C 22 -8,-2.7 -8,-2.6 -6,-0.0 4,-0.1 -0.930 39.9 -56.9-145.4 169.1 12.4 4.2 1.2 58 58 A P E +G 48 0C 55 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.223 53.7 156.8 -56.8 131.6 14.9 5.7 -1.3 59 59 A G S S- 0 0 0 -12,-2.1 -12,-0.2 2,-0.8 -11,-0.2 0.242 80.4 -23.9-117.2-113.1 14.7 9.4 -1.8 60 60 A V S S+ 0 0 1 -14,-3.0 17,-2.5 -12,-0.1 2,-0.5 0.885 134.0 71.1 -70.0 -34.8 17.8 11.3 -3.2 61 61 A A E -H 76 0D 0 -14,-1.7 -2,-0.8 -15,-0.3 15,-0.3 -0.655 62.9-173.7 -80.4 123.2 19.8 8.3 -1.8 62 62 A E E S+ 0 0 73 13,-2.3 2,-0.3 -2,-0.5 -1,-0.2 0.696 72.7 5.4 -86.0 -28.2 19.2 5.1 -3.9 63 63 A K E -H 75 0D 122 12,-1.1 12,-3.1 2,-0.0 2,-0.3 -0.970 66.0-178.0-151.9 156.9 21.2 2.8 -1.6 64 64 A W E -H 74 0D 66 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.984 6.7-164.0-153.8 155.4 23.0 3.1 1.7 65 65 A E E -H 73 0D 96 8,-2.1 8,-2.5 -2,-0.3 2,-0.3 -0.909 8.5-148.8-133.6 168.9 25.0 1.0 4.1 66 66 A N E -H 72 0D 65 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.990 7.4-146.9-137.7 154.1 26.1 1.4 7.8 67 67 A K E >> S-H 71 0D 129 4,-2.4 3,-2.4 -2,-0.3 4,-1.8 -0.980 88.8 -25.0-120.4 110.6 29.2 0.2 9.7 68 68 A D T 34 S- 0 0 111 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.718 109.0 -76.7 58.9 26.3 28.3 -0.7 13.2 69 69 A F T 34 S+ 0 0 90 2,-0.2 83,-2.1 82,-0.2 -1,-0.3 0.606 126.9 85.9 59.1 18.5 25.2 1.7 13.0 70 70 A K T <4 S+ 0 0 81 -3,-2.4 78,-3.4 1,-0.3 2,-0.5 0.662 81.2 46.9-118.8 -31.2 27.7 4.6 13.5 71 71 A V E < S-HI 67 147D 24 -4,-1.8 -4,-2.4 76,-0.2 2,-0.5 -0.987 70.6-170.6-121.0 115.1 29.0 5.4 10.0 72 72 A W E -HI 66 146D 6 74,-2.7 74,-2.8 -2,-0.5 2,-0.6 -0.956 4.6-161.8-110.4 125.9 26.2 5.6 7.4 73 73 A T E -HI 65 145D 26 -8,-2.5 -8,-2.1 -2,-0.5 2,-0.5 -0.924 3.1-164.6-116.6 118.3 27.0 5.9 3.7 74 74 A F E -HI 64 144D 0 70,-3.0 70,-2.3 -2,-0.6 2,-0.8 -0.901 8.7-152.5-104.3 127.0 24.4 7.2 1.3 75 75 A H E -HI 63 143D 55 -12,-3.1 -13,-2.3 -2,-0.5 -12,-1.1 -0.867 18.6-147.2 -96.4 105.5 24.8 6.7 -2.5 76 76 A L E -H 61 0D 1 66,-2.5 -15,-0.3 -2,-0.8 -16,-0.1 -0.597 22.2-107.0 -80.4 138.3 22.9 9.5 -4.2 77 77 A R > - 0 0 23 -17,-2.5 3,-1.7 -2,-0.3 11,-0.2 -0.272 24.6-129.5 -61.8 136.1 21.2 8.7 -7.6 78 78 A E T 3 S+ 0 0 128 1,-0.3 -1,-0.1 9,-0.1 10,-0.1 0.787 103.4 52.9 -62.0 -28.5 23.1 10.3 -10.4 79 79 A N T 3 S+ 0 0 79 8,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.241 72.9 127.4 -95.4 17.3 20.1 12.0 -11.9 80 80 A A < + 0 0 2 -3,-1.7 8,-2.5 8,-0.2 2,-0.3 -0.549 40.0 174.1 -72.7 128.2 18.8 13.7 -8.8 81 81 A K B -K 87 0E 83 -2,-0.3 130,-0.2 6,-0.3 2,-0.1 -0.989 33.8-118.9-139.4 158.2 18.3 17.4 -9.8 82 82 A W > - 0 0 6 4,-3.3 3,-2.3 -2,-0.3 106,-0.2 -0.353 45.0-100.0 -82.6 164.3 17.1 20.7 -8.6 83 83 A S T 3 S+ 0 0 24 104,-2.3 105,-0.1 1,-0.3 126,-0.1 0.719 122.8 61.2 -65.6 -11.2 14.2 22.5 -10.4 84 84 A D T 3 S- 0 0 85 103,-0.1 -1,-0.3 2,-0.1 104,-0.1 0.287 122.0-105.2 -92.3 5.8 16.7 24.7 -12.2 85 85 A G S < S+ 0 0 29 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.294 79.3 129.9 89.0 -10.1 18.3 21.6 -13.8 86 86 A T - 0 0 62 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.441 64.1 -99.6 -80.3 150.0 21.5 21.5 -11.6 87 87 A P B -K 81 0E 71 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.385 23.5-127.1 -68.9 147.1 22.4 18.3 -9.9 88 88 A V - 0 0 1 -8,-2.5 2,-0.3 -11,-0.2 -8,-0.2 -0.844 42.1-178.0 -88.5 125.7 21.6 17.5 -6.3 89 89 A T >> - 0 0 21 -2,-0.5 4,-1.2 1,-0.1 3,-0.8 -0.804 45.7-104.4-123.7 171.9 24.9 16.5 -4.7 90 90 A A H 3> S+ 0 0 0 51,-2.2 4,-2.1 -2,-0.3 5,-0.2 0.798 118.8 64.8 -63.1 -27.5 26.4 15.3 -1.4 91 91 A H H 3> S+ 0 0 89 50,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 96.6 55.8 -63.4 -35.0 27.8 18.9 -1.1 92 92 A D H <> S+ 0 0 28 -3,-0.8 4,-2.5 1,-0.2 75,-0.5 0.909 109.2 47.1 -61.9 -40.5 24.2 20.2 -0.9 93 93 A F H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.875 109.6 53.1 -69.8 -36.5 23.5 17.8 2.0 94 94 A V H X S+ 0 0 21 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.954 113.7 42.1 -62.7 -48.2 26.8 18.8 3.8 95 95 A Y H X S+ 0 0 38 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 115.1 51.6 -60.6 -47.0 25.9 22.6 3.6 96 96 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.915 110.6 44.7 -63.9 -46.7 22.3 21.9 4.6 97 97 A W H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 113.3 53.0 -66.6 -34.7 22.9 19.8 7.7 98 98 A Q H X S+ 0 0 39 -4,-2.0 4,-1.8 -5,-0.3 -2,-0.2 0.916 108.8 49.1 -61.9 -44.0 25.6 22.3 8.7 99 99 A R H < S+ 0 0 35 -4,-2.6 6,-0.3 1,-0.2 8,-0.2 0.915 109.5 52.6 -63.6 -37.3 23.0 25.2 8.3 100 100 A L H < S+ 0 0 0 -4,-2.5 7,-0.4 1,-0.2 -1,-0.2 0.940 112.7 44.7 -62.0 -43.1 20.5 23.2 10.4 101 101 A A H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.803 88.9 103.6 -71.5 -28.9 23.1 22.7 13.2 102 102 A D >X - 0 0 52 -4,-1.8 3,-2.0 1,-0.2 4,-0.7 -0.405 67.1-144.5 -62.9 121.8 24.3 26.4 13.2 103 103 A P G >4 S+ 0 0 61 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.826 97.5 66.5 -54.8 -30.8 22.9 28.3 16.1 104 104 A N G 34 S+ 0 0 149 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.809 95.0 56.8 -64.7 -24.9 22.6 31.4 13.9 105 105 A T G <4 S- 0 0 11 -3,-2.0 -1,-0.3 -6,-0.3 -5,-0.1 0.751 91.8-156.7 -73.1 -26.6 19.9 29.6 11.8 106 106 A A << - 0 0 77 -3,-1.1 -2,-0.1 -4,-0.7 -6,-0.1 0.851 18.6-176.4 54.3 41.3 17.9 29.2 15.1 107 107 A S > - 0 0 7 -5,-0.4 3,-1.7 -7,-0.4 4,-0.3 -0.466 32.7-138.7 -69.5 142.5 16.0 26.2 13.7 108 108 A P T 3 S+ 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.662 108.7 51.1 -68.7 -15.9 13.3 24.7 16.0 109 109 A Y T > + 0 0 0 -80,-0.4 3,-2.1 1,-0.1 4,-0.5 0.188 68.9 115.5-107.7 22.6 14.7 21.4 14.7 110 110 A A T X S+ 0 0 13 -3,-1.7 3,-1.6 1,-0.3 4,-0.4 0.932 75.9 60.3 -55.1 -40.4 18.4 22.0 15.4 111 111 A S T >> S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.2 3,-0.8 0.630 78.4 85.5 -64.6 -5.9 18.1 19.2 18.0 112 112 A Y H <> S+ 0 0 2 -3,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.905 89.6 53.8 -61.0 -30.9 17.1 16.7 15.2 113 113 A L H <4>S+ 0 0 2 -3,-1.6 5,-2.0 -4,-0.5 4,-0.4 0.804 107.1 49.3 -76.1 -24.7 20.8 16.3 14.7 114 114 A Q H X45S+ 0 0 15 -3,-0.8 3,-0.6 -4,-0.4 -2,-0.2 0.886 106.1 56.7 -76.8 -36.6 21.2 15.5 18.4 115 115 A Y H 3<5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.9 39.9 -60.9 -36.5 18.4 12.9 18.2 116 116 A G T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.553 109.5-132.1 -87.5 -8.1 20.4 11.2 15.4 117 117 A H T < 5 - 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0 0 11 -3,-2.3 3,-1.9 1,-0.2 -5,-0.0 -0.383 54.5-143.7 -68.0 134.8 15.9 20.0 23.1 435 435 A S T 3 S+ 0 0 31 1,-0.3 -1,-0.2 -2,-0.2 -325,-0.1 0.687 104.7 55.6 -64.5 -17.6 15.0 22.7 20.7 436 436 A N T 3 S+ 0 0 6 -8,-0.2 2,-1.8 1,-0.1 -1,-0.3 0.411 75.6 113.9 -96.1 7.4 11.5 21.1 20.6 437 437 A N X + 0 0 13 -3,-1.9 3,-0.6 1,-0.2 -7,-0.1 -0.489 23.8 152.1 -86.3 85.1 11.1 21.4 24.4 438 438 A T T 3 + 0 0 12 -2,-1.8 -1,-0.2 1,-0.2 -8,-0.1 0.531 67.6 69.9 -85.8 -9.0 8.2 23.9 24.6 439 439 A A T 3 S- 0 0 2 -10,-0.3 -160,-3.0 -3,-0.1 -159,-0.3 0.657 98.4-139.9 -75.6 -19.0 7.1 22.4 27.9 440 440 A H < + 0 0 27 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.894 44.6 161.3 58.2 41.7 10.4 23.9 29.3 441 441 A Y - 0 0 8 -10,-0.1 2,-0.4 -162,-0.1 -1,-0.2 -0.772 19.5-178.3 -96.3 130.7 10.8 20.7 31.2 442 442 A K + 0 0 121 -2,-0.4 -11,-0.1 -3,-0.1 -12,-0.0 -0.899 9.8 162.4-136.5 100.5 14.3 19.9 32.5 443 443 A S > - 0 0 10 -2,-0.4 4,-3.1 -13,-0.4 5,-0.2 -0.915 26.0-162.3-124.9 111.1 14.8 16.7 34.4 444 444 A P H > S+ 0 0 107 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.914 97.1 52.7 -54.7 -37.3 18.3 15.3 34.9 445 445 A A H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.961 110.4 46.5 -66.2 -45.8 16.7 11.9 35.8 446 446 A F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.957 111.6 52.1 -60.9 -50.1 14.7 11.9 32.5 447 447 A D H X S+ 0 0 43 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.892 109.3 49.8 -53.0 -43.6 17.7 13.0 30.5 448 448 A K H X S+ 0 0 114 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.915 106.0 55.3 -64.9 -42.1 19.8 10.1 31.9 449 449 A L H X S+ 0 0 36 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.909 112.5 42.9 -56.1 -44.3 17.1 7.5 31.2 450 450 A I H >< S+ 0 0 10 -4,-2.1 3,-1.3 2,-0.2 4,-0.5 0.930 109.8 55.9 -73.1 -37.1 17.1 8.5 27.5 451 451 A A H >< S+ 0 0 44 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.912 105.5 55.0 -55.5 -39.0 21.0 8.8 27.3 452 452 A D H >< S+ 0 0 31 -4,-2.3 3,-1.9 1,-0.2 4,-0.4 0.689 86.7 79.1 -71.6 -19.2 21.0 5.2 28.5 453 453 A T T << S+ 0 0 2 -3,-1.3 3,-0.3 -4,-0.6 -1,-0.2 0.730 99.3 41.8 -63.8 -25.6 18.8 3.9 25.7 454 454 A L T < S+ 0 0 12 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.214 101.9 71.1-103.4 13.3 21.8 3.9 23.3 455 455 A K S < S+ 0 0 124 -3,-1.9 2,-0.3 -305,-0.1 -2,-0.2 0.383 94.2 61.4-103.1 -4.8 24.1 2.5 25.9 456 456 A V S S- 0 0 29 -4,-0.4 3,-0.0 -3,-0.3 0, 0.0 -0.748 71.4-150.5-110.8 161.3 22.4 -0.9 25.7 457 457 A A + 0 0 103 -2,-0.3 2,-0.4 5,-0.0 -3,-0.1 -0.062 68.0 90.4-127.7 33.4 22.3 -3.0 22.5 458 458 A D > - 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