==== 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 11-DEC-98 1B3L . COMPND 2 MOLECULE: PROTEIN (OLIGO-PEPTIDE BINDING PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.R.H.TAME,A.J.WILKINSON . 1040 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 704 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 14.6 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 . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 75 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 8 2 2 2 1 3 8 0 2 0 2 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 2 0 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 . 12 4 2 4 2 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 2 0 2 0 2 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 8 0, 0.0 2,-0.4 0, 0.0 511,-0.1 0.000 360.0 360.0 360.0 170.4 31.7 10.3 85.2 2 2 A D - 0 0 132 509,-0.5 511,-0.1 511,-0.0 495,-0.1 -0.764 360.0-157.4-130.5 79.0 30.6 13.6 83.6 3 3 A V - 0 0 52 -2,-0.4 2,-0.6 212,-0.1 4,-0.0 -0.400 20.1-116.4 -67.6 131.3 29.0 12.4 80.4 4 4 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.608 31.4-112.0 -72.0 112.5 28.8 15.0 77.7 5 5 A A S S+ 0 0 115 -2,-0.6 -3,-0.0 1,-0.2 0, 0.0 -0.290 108.8 46.6 -46.2 113.1 25.2 15.8 76.9 6 6 A G S S+ 0 0 86 1,-0.3 2,-0.4 -3,-0.0 -1,-0.2 0.695 84.9 117.0 115.9 34.1 25.1 14.4 73.4 7 7 A V - 0 0 43 -3,-0.1 2,-0.7 -4,-0.0 -1,-0.3 -0.996 58.2-132.8-132.7 132.6 26.8 11.0 73.9 8 8 A Q - 0 0 108 -2,-0.4 508,-3.0 508,-0.1 2,-0.4 -0.721 19.4-149.4 -90.8 118.8 25.4 7.5 73.4 9 9 A L B -A 515 0A 78 -2,-0.7 506,-0.3 506,-0.3 4,-0.1 -0.675 18.9-120.6 -84.6 131.8 26.1 5.1 76.3 10 10 A A - 0 0 16 504,-2.0 506,-0.2 -2,-0.4 504,-0.1 -0.074 20.6-120.0 -59.8 172.2 26.5 1.4 75.4 11 11 A D S S+ 0 0 160 1,-0.2 2,-0.7 504,-0.1 -1,-0.1 0.819 99.4 59.8 -88.4 -31.1 24.1 -1.0 77.1 12 12 A K - 0 0 154 2,-0.1 2,-1.1 1,-0.0 -1,-0.2 -0.895 68.9-164.0 -99.7 111.9 26.7 -3.1 78.8 13 13 A Q + 0 0 16 -2,-0.7 206,-2.6 204,-0.1 207,-1.3 -0.684 41.7 128.0 -97.4 74.3 28.8 -1.0 81.1 14 14 A T E -b 220 0B 58 -2,-1.1 2,-0.3 205,-0.2 207,-0.2 -0.906 36.1-166.6-123.6 155.3 31.7 -3.3 81.7 15 15 A L E -b 221 0B 1 205,-1.4 207,-2.5 -2,-0.3 2,-0.5 -0.986 10.7-155.0-150.6 131.8 35.5 -2.6 81.3 16 16 A V E -b 222 0B 34 -2,-0.3 226,-1.8 205,-0.2 227,-1.2 -0.941 18.6-179.7-111.0 126.8 38.6 -4.8 81.1 17 17 A R E -bc 223 243B 1 205,-2.6 207,-2.7 -2,-0.5 2,-0.3 -0.999 24.8-132.9-125.3 133.6 41.9 -3.2 82.1 18 18 A N E -b 224 0B 4 225,-2.3 228,-0.1 -2,-0.4 205,-0.1 -0.673 16.3-168.8 -84.2 140.7 45.4 -4.8 82.1 19 19 A N - 0 0 3 205,-4.5 2,-0.3 -2,-0.3 -1,-0.1 0.291 31.8-124.3-114.8 7.6 47.2 -4.0 85.4 20 20 A G S S+ 0 0 10 206,-0.4 2,-0.3 204,-0.2 -2,-0.1 0.042 77.4 8.2 80.3 -28.3 50.7 -5.1 84.6 21 21 A S S S- 0 0 12 -2,-0.3 2,-0.5 203,-0.3 205,-0.2 -0.954 87.8 -78.3-168.5 170.5 51.2 -7.6 87.5 22 22 A E - 0 0 12 203,-0.3 376,-0.2 -2,-0.3 14,-0.1 -0.713 61.6-112.4 -80.1 122.2 49.5 -9.4 90.4 23 23 A V - 0 0 3 -2,-0.5 3,-0.1 12,-0.1 -1,-0.1 -0.081 7.3-127.8 -58.0 155.9 49.2 -6.8 93.2 24 24 A Q S S- 0 0 44 1,-0.3 2,-0.3 373,-0.1 -1,-0.1 0.844 81.7 -37.3 -67.1 -31.6 51.2 -7.1 96.5 25 25 A S - 0 0 23 1,-0.1 -1,-0.3 3,-0.0 0, 0.0 -0.957 39.4-123.8-178.4 166.6 48.0 -6.7 98.5 26 26 A L S S+ 0 0 7 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.1 0.380 81.4 103.7-107.5 -5.7 44.6 -5.0 98.6 27 27 A D > - 0 0 8 1,-0.2 3,-2.5 3,-0.1 4,-0.2 -0.611 69.7-143.5 -78.3 117.8 45.4 -3.6 102.1 28 28 A P G > S+ 0 0 1 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.733 96.9 56.8 -59.5 -18.5 46.2 0.1 101.6 29 29 A H G 3 S+ 0 0 0 1,-0.2 80,-0.4 135,-0.1 81,-0.1 0.383 106.5 50.0 -88.5 -1.3 48.9 0.1 104.3 30 30 A K G < S+ 0 0 73 -3,-2.5 2,-0.3 77,-0.2 -1,-0.2 0.239 94.0 90.0-116.8 6.9 50.8 -2.7 102.7 31 31 A I < + 0 0 5 -3,-0.6 132,-0.1 -4,-0.2 78,-0.1 -0.831 31.2 162.2-108.9 156.3 51.1 -1.4 99.1 32 32 A E + 0 0 13 -2,-0.3 488,-2.6 488,-0.0 2,-0.1 0.452 49.2 84.0-144.5 -6.7 53.7 0.7 97.2 33 33 A G B > S-g 520 0C 0 486,-0.3 4,-2.5 1,-0.1 488,-0.2 -0.428 77.7-109.7-101.5-179.7 53.3 0.3 93.4 34 34 A V H > S+ 0 0 6 486,-2.7 4,-2.2 2,-0.2 5,-0.1 0.958 117.1 50.6 -68.6 -42.6 51.4 1.5 90.5 35 35 A P H > S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.962 112.5 47.5 -60.8 -52.2 49.5 -1.7 90.0 36 36 A E H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.906 113.3 48.6 -52.2 -47.4 48.5 -1.7 93.7 37 37 A S H X S+ 0 0 1 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.804 102.1 62.0 -67.0 -38.1 47.4 1.9 93.5 38 38 A N H < S+ 0 0 2 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.953 113.2 35.7 -52.5 -55.1 45.3 1.5 90.4 39 39 A V H >X S+ 0 0 0 -4,-1.4 3,-1.7 1,-0.2 4,-1.2 0.924 112.2 61.1 -66.5 -44.7 42.9 -0.9 92.1 40 40 A S H 3X S+ 0 0 5 -4,-2.3 4,-3.5 1,-0.3 3,-0.3 0.826 97.9 57.9 -48.4 -45.8 43.1 0.9 95.5 41 41 A R H 3< S+ 0 0 14 -4,-1.8 149,-0.3 1,-0.2 -1,-0.3 0.750 106.7 48.6 -61.0 -28.5 41.6 4.1 94.1 42 42 A D H <4 S+ 0 0 2 -3,-1.7 149,-1.6 -4,-0.4 -1,-0.2 0.723 121.4 35.4 -82.5 -29.6 38.5 2.3 92.9 43 43 A L H < S+ 0 0 0 -4,-1.2 146,-2.4 -3,-0.3 145,-1.3 0.804 117.9 38.8 -92.5 -44.0 38.0 0.6 96.3 44 44 A F < - 0 0 3 -4,-3.5 2,-0.4 144,-0.2 -1,-0.2 -0.924 60.4-162.9-120.5 139.1 39.2 3.1 99.0 45 45 A E - 0 0 8 -2,-0.4 2,-0.1 121,-0.1 4,-0.1 -0.987 8.3-169.7-122.5 127.7 38.6 6.8 99.2 46 46 A G - 0 0 4 -2,-0.4 14,-2.2 2,-0.4 15,-0.3 -0.196 48.0 -67.6 -96.3-160.4 40.5 9.2 101.4 47 47 A L S S+ 0 0 1 117,-0.4 12,-2.3 12,-0.2 14,-1.8 0.901 117.0 20.7 -52.8 -60.0 40.1 12.9 102.3 48 48 A L E -N 58 0D 2 111,-0.6 -2,-0.4 10,-0.2 2,-0.3 -0.819 67.1-167.6-114.3 159.6 40.9 14.3 98.9 49 49 A I E -N 57 0D 16 8,-3.2 8,-3.0 -2,-0.3 2,-0.4 -0.835 29.8-102.2-134.6 167.1 40.8 12.7 95.4 50 50 A S E -N 56 0D 2 -2,-0.3 5,-0.1 6,-0.2 458,-0.1 -0.857 30.6-137.2 -94.0 139.1 42.2 13.9 92.1 51 51 A D > - 0 0 54 4,-2.7 3,-0.8 -2,-0.4 -1,-0.1 0.192 43.3 -82.1 -71.0-154.5 39.8 15.3 89.5 52 52 A V T 3 S+ 0 0 61 1,-0.2 449,-0.4 2,-0.1 448,-0.3 0.663 132.5 51.9 -87.6 -13.9 40.1 14.4 85.8 53 53 A E T 3 S- 0 0 99 2,-0.1 -1,-0.2 447,-0.1 -2,-0.1 0.104 120.2-106.6-105.2 12.9 42.8 17.0 85.3 54 54 A G S < S+ 0 0 16 -3,-0.8 -2,-0.1 1,-0.2 3,-0.1 0.396 74.4 136.0 75.4 1.8 44.9 15.7 88.2 55 55 A H - 0 0 99 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.2 -0.516 63.1 -98.6 -85.8 147.0 44.1 18.5 90.6 56 56 A P E +N 50 0D 42 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.286 51.9 170.9 -59.3 135.0 43.3 17.8 94.3 57 57 A S E -N 49 0D 24 -8,-3.0 -8,-3.2 -6,-0.1 4,-0.1 -0.999 40.2 -68.7-152.6 153.4 39.6 17.8 95.1 58 58 A P E +N 48 0D 53 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.055 52.6 159.1 -36.5 127.4 37.1 17.1 97.8 59 59 A G S S- 0 0 0 -12,-2.3 -12,-0.2 2,-0.6 -11,-0.2 0.348 79.2 -18.6-119.7-103.8 36.8 13.3 98.4 60 60 A V S S+ 0 0 0 -14,-2.2 17,-2.5 16,-0.1 2,-0.5 0.869 134.4 69.4 -74.8 -28.7 35.4 12.2 101.8 61 61 A A E -O 76 0E 0 -14,-1.8 -2,-0.6 15,-0.3 15,-0.3 -0.748 68.4-164.5 -89.3 127.4 36.2 15.8 103.0 62 62 A E E S- 0 0 102 13,-2.5 2,-0.3 -2,-0.5 14,-0.2 0.777 73.6 -6.9 -84.9 -26.9 33.9 18.4 101.4 63 63 A K E -O 75 0E 109 12,-1.3 12,-2.8 -6,-0.1 2,-0.3 -0.958 66.3-168.0-159.1 163.7 36.1 21.3 102.4 64 64 A W E -O 74 0E 61 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.972 1.4-170.5-151.4 165.9 39.1 21.9 104.5 65 65 A E E -O 73 0E 80 8,-1.9 8,-3.3 -2,-0.3 2,-0.3 -0.946 6.6-149.6-156.1 168.7 41.2 24.7 106.1 66 66 A N E -O 72 0E 62 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.974 11.4-144.0-140.7 159.5 44.4 25.5 107.9 67 67 A K E >> S-O 71 0E 138 4,-1.5 3,-1.6 -2,-0.3 4,-1.1 -0.986 92.2 -17.2-124.0 112.4 45.9 27.8 110.4 68 68 A D T 34 S- 0 0 108 -2,-0.5 -1,-0.1 1,-0.3 84,-0.1 0.699 109.7 -80.0 70.2 19.6 49.6 28.7 109.7 69 69 A F T 34 S+ 0 0 93 2,-0.2 83,-2.2 82,-0.1 -1,-0.3 0.726 125.7 88.2 58.0 20.0 49.8 25.7 107.4 70 70 A K T <4 S+ 0 0 93 -3,-1.6 78,-2.9 1,-0.3 2,-0.5 0.612 78.0 47.9-119.5 -26.2 50.3 23.7 110.6 71 71 A V E < S-OP 67 147E 48 -4,-1.1 -4,-1.5 76,-0.2 2,-0.4 -0.994 70.3-167.7-120.8 117.9 46.8 22.7 111.8 72 72 A W E -OP 66 146E 4 74,-2.6 74,-3.2 -2,-0.5 2,-0.5 -0.924 1.9-162.9-114.4 128.7 44.6 21.2 109.0 73 73 A T E -OP 65 145E 21 -8,-3.3 -8,-1.9 -2,-0.4 2,-0.5 -0.975 1.6-161.1-118.3 120.9 40.9 20.8 109.6 74 74 A F E -OP 64 144E 0 70,-3.0 70,-1.9 -2,-0.5 2,-0.8 -0.863 7.3-153.3-104.6 126.3 38.8 18.5 107.3 75 75 A H E -OP 63 143E 47 -12,-2.8 -13,-2.5 -2,-0.5 -12,-1.3 -0.895 20.5-153.6 -96.3 111.0 35.0 18.8 107.1 76 76 A L E -O 61 0E 3 66,-2.4 2,-0.3 -2,-0.8 -15,-0.3 -0.588 18.4-107.9 -81.0 154.3 33.8 15.4 106.2 77 77 A R > - 0 0 30 -17,-2.5 3,-1.9 -2,-0.2 11,-0.2 -0.556 16.9-133.6 -85.2 137.3 30.5 14.9 104.3 78 78 A E T 3 S+ 0 0 151 -2,-0.3 10,-0.1 1,-0.3 -1,-0.1 0.798 101.2 57.0 -59.3 -32.4 27.5 13.5 106.2 79 79 A N T 3 S+ 0 0 77 8,-0.1 2,-0.3 132,-0.1 -1,-0.3 0.373 74.3 124.4 -85.1 10.8 26.5 11.0 103.4 80 80 A A < + 0 0 2 -3,-1.9 8,-2.9 8,-0.2 2,-0.3 -0.544 37.8 164.3 -72.8 124.7 29.9 9.2 103.4 81 81 A K B -R 87 0F 82 128,-0.4 130,-0.2 -2,-0.3 2,-0.1 -0.947 35.3-115.0-138.9 166.6 29.5 5.5 104.0 82 82 A W > - 0 0 5 4,-3.0 3,-2.0 -2,-0.3 106,-0.2 -0.393 43.6 -97.4 -86.6 166.6 31.1 2.1 103.7 83 83 A S T 3 S+ 0 0 18 104,-2.5 105,-0.1 1,-0.3 126,-0.1 0.625 121.9 56.3 -67.8 -12.6 30.0 -0.8 101.4 84 84 A D T 3 S- 0 0 81 103,-0.2 -1,-0.3 2,-0.2 102,-0.0 0.323 121.9-100.8-100.2 4.8 28.1 -2.4 104.3 85 85 A G S < S+ 0 0 32 -3,-2.0 -2,-0.1 1,-0.4 0, 0.0 0.027 82.4 126.6 99.9 -20.9 25.9 0.7 105.0 86 86 A T - 0 0 60 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.4 -0.266 62.6-103.3 -67.7 160.0 27.9 1.9 108.0 87 87 A P B -R 81 0F 79 0, 0.0 2,-0.6 0, 0.0 -6,-0.3 -0.456 17.5-123.7 -84.5 154.4 29.0 5.5 107.9 88 88 A V + 0 0 2 -8,-2.9 2,-0.3 -11,-0.2 -8,-0.2 -0.863 41.9 170.7 -95.3 122.4 32.4 7.0 107.3 89 89 A T >> - 0 0 16 -2,-0.6 3,-1.8 53,-0.0 4,-0.8 -0.848 50.9 -99.6-127.7 165.4 33.5 9.2 110.2 90 90 A A H 3> S+ 0 0 0 51,-2.4 4,-1.9 1,-0.3 3,-0.2 0.697 117.0 68.2 -58.0 -21.0 36.6 11.0 111.4 91 91 A H H 3> S+ 0 0 100 50,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.783 93.6 57.4 -69.4 -31.4 37.2 8.1 113.8 92 92 A D H <> S+ 0 0 25 -3,-1.8 4,-2.1 2,-0.2 75,-0.4 0.881 108.5 46.4 -63.3 -41.6 38.0 5.9 110.9 93 93 A F H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 5,-0.3 0.858 109.5 52.6 -70.5 -40.7 40.8 8.3 109.8 94 94 A V H X S+ 0 0 25 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.964 115.3 42.6 -56.2 -53.4 42.2 8.6 113.3 95 95 A Y H X S+ 0 0 39 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.864 114.1 51.0 -59.9 -42.1 42.4 4.7 113.5 96 96 A S H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.963 111.0 45.7 -69.2 -41.4 43.8 4.3 109.9 97 97 A W H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.861 112.4 53.2 -67.1 -32.7 46.6 6.8 110.2 98 98 A Q H X S+ 0 0 38 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.2 0.888 109.1 47.5 -65.2 -45.6 47.6 5.3 113.6 99 99 A R H < S+ 0 0 41 -4,-1.9 6,-0.3 1,-0.2 -2,-0.2 0.918 110.2 53.6 -64.1 -38.9 47.7 1.8 112.1 100 100 A L H < S+ 0 0 0 -4,-2.7 7,-0.4 1,-0.2 -2,-0.2 0.928 112.3 44.6 -58.0 -43.9 49.9 3.2 109.2 101 101 A A H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.816 89.0 104.3 -71.9 -25.3 52.3 4.7 111.7 102 102 A D >X - 0 0 53 -4,-1.5 3,-2.0 1,-0.2 4,-0.6 -0.404 69.3-140.9 -65.1 125.9 52.6 1.7 113.9 103 103 A P G >4 S+ 0 0 63 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.808 98.4 67.0 -58.1 -25.4 55.8 -0.2 113.4 104 104 A N G 34 S+ 0 0 140 1,-0.3 -2,-0.1 2,-0.1 -5,-0.1 0.795 94.7 57.1 -71.7 -20.4 53.9 -3.5 113.8 105 105 A T G <4 S- 0 0 12 -3,-2.0 -1,-0.3 -6,-0.3 -5,-0.1 0.774 90.7-157.9 -72.3 -26.3 52.1 -2.8 110.6 106 106 A A << - 0 0 79 -3,-1.0 -2,-0.1 -4,-0.6 -5,-0.1 0.894 17.6-175.8 46.8 48.7 55.5 -2.6 108.8 107 107 A S > - 0 0 7 -7,-0.4 3,-1.8 -5,-0.3 4,-0.3 -0.545 32.5-139.0 -68.0 138.5 54.1 -0.5 105.9 108 108 A P T 3 S+ 0 0 20 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.686 109.3 49.0 -69.1 -13.7 56.6 0.4 103.1 109 109 A Y T > S+ 0 0 0 -80,-0.4 3,-1.7 1,-0.1 4,-0.4 0.074 70.1 115.8-111.3 24.1 54.9 3.8 103.3 110 110 A A T X S+ 0 0 15 -3,-1.8 3,-1.2 1,-0.3 4,-0.4 0.878 74.9 60.5 -58.1 -36.3 55.0 4.4 107.0 111 111 A S T >> S+ 0 0 2 -4,-0.3 4,-2.3 1,-0.2 3,-0.6 0.662 78.8 86.7 -65.2 -10.3 57.4 7.4 106.2 112 112 A Y H <> S+ 0 0 3 -3,-1.7 4,-1.3 1,-0.3 -1,-0.2 0.862 89.1 51.8 -56.9 -37.2 54.5 9.0 104.2 113 113 A L H <4>S+ 0 0 3 -3,-1.2 5,-1.9 -4,-0.4 4,-0.4 0.806 106.5 52.7 -71.3 -25.8 53.4 10.5 107.6 114 114 A Q H X45S+ 0 0 17 -3,-0.6 3,-0.5 -4,-0.4 -2,-0.2 0.845 105.6 55.2 -71.9 -37.3 57.0 11.8 108.2 115 115 A Y H 3<5S+ 0 0 3 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 110.7 43.6 -64.4 -32.2 56.7 13.5 104.7 116 116 A G T 3<5S- 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.560 110.9-132.7 -85.3 -4.3 53.5 15.3 105.9 117 117 A H T < 5 - 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