==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-09 2WNW . COMPND 2 MOLECULE: ACTIVATED BY TRANSCRIPTION FACTOR SSRB; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA . AUTHOR Y.-G.KIM,J.-H.KIM,K.-J.KIM . 890 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 132 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 50 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.5 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 2 4 2 3 1 8 0 2 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 10 1 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 0 PARALLEL BRIDGES PER LADDER . 6 2 2 2 0 6 6 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 2 0 0 0 0 0 2 2 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 M 0 0 38 0, 0.0 22,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.3 -3.1 13.6 16.2 2 2 A K E +A 22 0A 164 441,-0.3 441,-0.8 20,-0.3 2,-0.3 -0.818 360.0 158.0-132.7 172.3 -2.2 16.2 13.6 3 3 A G E -AB 21 442A 14 18,-2.8 18,-2.3 -2,-0.3 2,-0.4 -0.909 37.1 -80.6-168.5-164.2 0.2 19.0 13.2 4 4 A R E -AB 20 441A 97 437,-2.5 437,-3.0 -2,-0.3 2,-0.5 -0.965 27.8-156.3-124.3 140.2 2.1 21.4 10.9 5 5 A L E -AB 19 440A 7 14,-2.5 14,-1.6 -2,-0.4 2,-0.6 -0.973 3.4-167.5-120.0 124.7 5.2 20.6 8.8 6 6 A I E -AB 18 439A 0 433,-2.8 433,-2.6 -2,-0.5 2,-0.4 -0.954 17.1-173.3-112.5 113.3 7.6 23.3 7.7 7 7 A S E -AB 17 438A 35 10,-3.0 10,-2.7 -2,-0.6 2,-0.4 -0.898 13.7-167.0-117.8 138.9 10.1 22.0 5.1 8 8 A S E - B 0 437A 3 429,-3.0 429,-1.6 -2,-0.4 7,-0.3 -0.956 7.9-175.7-121.2 138.4 13.2 23.5 3.5 9 9 A D E > > -A 14 0A 31 5,-3.6 5,-2.1 -2,-0.4 3,-1.9 -0.772 7.4-176.9-131.1 80.5 15.0 22.1 0.4 10 10 A P G > 5S+ 0 0 3 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.842 78.7 61.5 -50.1 -41.8 18.0 24.5 0.0 11 11 A Y G 3 5S+ 0 0 147 423,-0.4 424,-0.1 1,-0.3 296,-0.0 0.733 112.3 39.6 -61.7 -19.3 19.2 22.8 -3.2 12 12 A R G < 5S- 0 0 183 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.233 114.6-117.5-109.8 11.0 15.9 23.8 -4.8 13 13 A Q T < 5 + 0 0 125 -3,-2.1 2,-0.6 1,-0.2 -2,-0.1 0.806 68.1 142.0 58.1 30.1 15.8 27.2 -3.1 14 14 A Q E < -A 9 0A 100 -5,-2.1 -5,-3.6 3,-0.0 2,-0.4 -0.918 27.4-178.2-104.7 115.8 12.6 26.2 -1.3 15 15 A F E - 0 0 35 -2,-0.6 -7,-0.2 -7,-0.3 -8,-0.1 -0.939 53.0 -10.5-124.2 140.6 12.5 27.5 2.3 16 16 A L E S+ 0 0 31 -2,-0.4 2,-0.6 1,-0.2 -8,-0.2 0.883 71.6 176.6 46.9 53.0 10.1 27.2 5.2 17 17 A V E -A 7 0A 75 -10,-2.7 -10,-3.0 -3,-0.2 2,-0.3 -0.776 13.3-155.8 -88.5 119.3 7.3 25.6 3.2 18 18 A E E +A 6 0A 95 -2,-0.6 2,-0.3 -12,-0.2 -12,-0.2 -0.729 21.1 159.7-101.9 147.8 4.3 24.8 5.4 19 19 A R E -A 5 0A 152 -14,-1.6 -14,-2.5 -2,-0.3 2,-0.2 -0.978 41.4-100.5-159.2 149.4 1.6 22.2 5.0 20 20 A A E +A 4 0A 83 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.499 43.8 175.8 -74.1 140.9 -0.9 20.4 7.3 21 21 A V E -A 3 0A 16 -18,-2.3 -18,-2.8 -2,-0.2 2,-0.3 -0.923 16.6-148.1-140.5 164.7 -0.0 16.9 8.2 22 22 A S E -A 2 0A 77 -2,-0.3 -20,-0.3 -20,-0.3 2,-0.1 -0.992 14.5-126.9-139.0 146.7 -1.4 14.1 10.4 23 23 A F - 0 0 12 -22,-2.8 2,-0.3 -2,-0.3 405,-0.2 -0.392 23.2-150.8 -81.9 166.2 0.1 11.3 12.4 24 24 A S E -C 427 0A 73 403,-2.8 403,-2.7 -2,-0.1 2,-0.1 -0.866 35.8 -78.2-132.6 164.4 -1.0 7.7 12.0 25 25 A H E -C 426 0A 137 -2,-0.3 401,-0.3 401,-0.2 400,-0.0 -0.462 65.8-100.4 -62.8 136.9 -1.1 4.7 14.4 26 26 A R - 0 0 59 399,-2.7 2,-0.2 -2,-0.1 -1,-0.1 -0.195 29.8-123.4 -62.9 151.6 2.5 3.4 14.6 27 27 A Q - 0 0 109 2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.603 22.1-117.6 -89.7 155.6 3.6 0.4 12.6 28 28 A R S S+ 0 0 240 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.1 0.872 87.8 96.3 -62.0 -39.2 5.1 -2.5 14.5 29 29 A D - 0 0 84 1,-0.1 -2,-0.2 -3,-0.0 0, 0.0 -0.200 59.3-160.4 -53.3 142.3 8.5 -2.2 12.7 30 30 A C + 0 0 30 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.104 47.4 117.8-114.5 21.5 11.0 -0.2 14.6 31 31 A S + 0 0 47 1,-0.2 686,-0.1 388,-0.0 687,-0.1 -0.515 69.5 17.3 -90.5 159.2 13.5 0.8 11.9 32 32 A E S S+ 0 0 48 1,-0.2 388,-2.3 685,-0.2 2,-0.3 0.799 89.0 161.7 53.4 38.4 14.3 4.4 10.7 33 33 A L E -d 420 0A 1 -3,-0.5 356,-1.9 684,-0.4 2,-0.5 -0.603 40.8-167.8 -95.1 147.4 13.0 6.0 13.8 34 34 A I E -dE 421 388A 0 386,-2.3 388,-2.4 -2,-0.3 2,-0.4 -0.953 30.4-155.3-124.0 100.2 13.4 9.4 15.4 35 35 A S E -dE 422 387A 6 352,-2.0 352,-2.3 -2,-0.5 2,-0.4 -0.675 9.9-165.7 -84.9 134.4 11.8 8.7 18.8 36 36 A V E - E 0 386A 4 386,-2.7 388,-0.5 -2,-0.4 350,-0.2 -0.972 11.9-173.0-122.8 134.6 10.4 11.5 20.8 37 37 A L E > + E 0 385A 4 348,-2.7 3,-2.1 -2,-0.4 348,-0.8 -0.716 5.4 177.6-126.3 79.1 9.5 11.4 24.4 38 38 A P E 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 348,-0.0 0.766 76.0 67.1 -51.4 -31.8 7.8 14.7 25.2 39 39 A R E 3 S+ 0 0 127 1,-0.2 2,-0.9 -3,-0.1 -2,-0.0 0.686 89.2 70.7 -67.9 -17.9 7.1 13.6 28.8 40 40 A H E < S- 0 0 27 -3,-2.1 345,-2.1 345,-0.2 2,-0.2 -0.808 74.3-170.3-104.3 95.2 10.8 13.7 29.6 41 41 A A E - E 0 384A 56 -2,-0.9 343,-0.2 343,-0.2 3,-0.1 -0.584 6.1-174.9 -86.8 144.6 11.8 17.3 29.6 42 42 A L E - 0 0 55 341,-3.8 -1,-0.1 1,-0.3 342,-0.1 0.141 48.1 -11.6-109.5-134.2 15.4 18.5 29.8 43 43 A Q E - 0 0 41 278,-0.2 340,-2.5 339,-0.1 -1,-0.3 -0.283 64.5-118.0 -72.6 155.3 16.9 22.0 30.1 44 44 A Q E - E 0 382A 89 338,-0.2 2,-0.3 -3,-0.1 338,-0.2 -0.691 24.8-147.4 -91.4 142.2 14.9 25.2 29.7 45 45 A I - 0 0 0 336,-2.8 335,-2.7 -2,-0.3 282,-0.2 -0.852 9.9-153.1-112.7 148.0 15.8 27.7 27.0 46 46 A D - 0 0 25 280,-3.7 2,-0.3 -2,-0.3 281,-0.2 0.611 53.6 -92.7 -93.3 -15.1 15.6 31.5 27.0 47 47 A G - 0 0 0 279,-0.4 281,-2.0 331,-0.1 2,-0.3 -0.921 34.6 -78.2 141.3-166.4 15.1 32.2 23.3 48 48 A F E +j 328 0B 1 -2,-0.3 36,-2.7 34,-0.2 37,-1.8 -0.980 49.5 123.3-140.2 149.7 16.8 33.0 20.0 49 49 A G E -jk 329 85B 0 279,-1.4 281,-3.1 -2,-0.3 37,-0.2 -0.966 38.6-110.7-177.7-167.2 18.2 36.2 18.5 50 50 A G E - k 0 86B 1 35,-0.8 37,-1.1 -2,-0.3 2,-0.4 -0.747 36.5 -82.3-138.0-173.8 21.0 38.1 16.9 51 51 A S E -jk 332 87B 0 280,-2.8 282,-2.3 35,-0.2 2,-0.6 -0.796 17.2-147.5-110.3 142.3 23.4 41.0 17.7 52 52 A F + 0 0 0 35,-2.3 2,-0.3 -2,-0.4 280,-0.1 -0.885 31.4 166.3 -98.0 120.6 23.1 44.8 17.5 53 53 A T > - 0 0 0 -2,-0.6 4,-2.8 35,-0.2 5,-0.2 -0.869 52.4-106.8-129.2 164.6 26.5 46.3 16.6 54 54 A E H > S+ 0 0 0 41,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.902 123.1 55.0 -58.2 -37.4 27.4 49.8 15.5 55 55 A G H > S+ 0 0 0 40,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.949 109.7 43.4 -59.5 -51.2 28.0 48.2 12.1 56 56 A A H > S+ 0 0 0 39,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.889 114.7 52.4 -61.6 -38.7 24.5 46.8 11.9 57 57 A G H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.908 108.3 48.4 -64.3 -44.7 23.1 50.0 13.2 58 58 A V H X S+ 0 0 38 -4,-2.9 4,-1.1 2,-0.2 -1,-0.2 0.887 113.7 47.9 -63.7 -39.0 24.9 52.2 10.6 59 59 A V H < S+ 0 0 7 -4,-2.1 3,-0.4 -5,-0.2 4,-0.3 0.919 112.0 50.1 -67.4 -42.3 23.6 49.8 7.9 60 60 A F H >< S+ 0 0 10 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.920 107.2 53.8 -60.7 -45.9 20.1 49.9 9.3 61 61 A N H 3< S+ 0 0 51 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.773 103.1 58.9 -61.0 -25.8 20.2 53.7 9.4 62 62 A S T 3< S+ 0 0 58 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.521 86.2 102.1 -82.6 -5.2 21.1 53.8 5.7 63 63 A M S < S- 0 0 8 -3,-1.7 293,-0.1 -4,-0.3 -3,-0.0 -0.465 81.0-107.1 -79.5 151.6 17.9 51.9 4.7 64 64 A S > - 0 0 43 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.288 36.4-107.0 -67.5 162.8 14.9 53.6 3.2 65 65 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.860 122.4 54.3 -62.9 -32.5 12.0 53.9 5.7 66 66 A K H > S+ 0 0 178 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.944 110.7 44.5 -64.5 -48.3 10.2 51.2 3.7 67 67 A T H > S+ 0 0 7 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.880 107.5 58.6 -65.0 -39.2 13.1 48.8 4.0 68 68 A K H X S+ 0 0 41 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.921 107.8 47.7 -56.1 -44.3 13.6 49.6 7.7 69 69 A A H X S+ 0 0 54 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.919 113.2 46.7 -62.9 -46.6 10.0 48.4 8.3 70 70 A Q H X S+ 0 0 97 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.927 112.4 51.2 -61.5 -46.4 10.5 45.2 6.3 71 71 A F H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 5,-0.2 0.940 111.9 45.5 -56.3 -52.1 13.8 44.5 8.0 72 72 A L H X S+ 0 0 16 -4,-2.5 4,-3.0 -5,-0.2 5,-0.4 0.860 112.7 50.1 -63.0 -37.8 12.4 44.9 11.5 73 73 A S H X S+ 0 0 54 -4,-2.1 4,-1.8 3,-0.2 9,-0.3 0.903 106.7 55.7 -67.3 -41.0 9.2 42.8 10.8 74 74 A L H < S+ 0 0 15 -4,-2.3 7,-2.0 -5,-0.2 -1,-0.2 0.871 121.8 27.2 -58.1 -40.1 11.3 40.0 9.3 75 75 A Y H < S+ 0 0 0 -4,-1.5 8,-2.8 -5,-0.2 -2,-0.2 0.853 134.1 26.1 -93.1 -40.6 13.3 39.6 12.5 76 76 A F H < S+ 0 0 1 -4,-3.0 -3,-0.2 6,-0.2 2,-0.2 0.472 85.1 111.5-110.0 -0.9 11.1 40.9 15.3 77 77 A S ><> - 0 0 21 -4,-1.8 5,-1.7 -5,-0.4 3,-1.6 -0.518 67.4-133.5 -72.6 139.8 7.5 40.3 14.2 78 78 A A T 3 5S+ 0 0 65 1,-0.3 -1,-0.1 55,-0.2 -5,-0.0 0.713 109.9 53.4 -65.2 -19.6 5.8 37.6 16.2 79 79 A Q T 3 5S+ 0 0 151 -6,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.449 117.4 35.9 -93.7 -2.9 4.6 36.3 12.9 80 80 A E T < 5S- 0 0 58 -3,-1.6 -5,-0.2 -7,-0.2 -6,-0.1 0.044 132.0 -28.7-118.2-130.8 8.1 36.1 11.5 81 81 A H T 5 - 0 0 0 -7,-2.0 -6,-0.2 -8,-0.3 3,-0.1 0.718 67.8-156.7 -66.0 -19.3 11.4 35.3 13.2 82 82 A N < - 0 0 34 -5,-1.7 -6,-0.2 -9,-0.3 -34,-0.2 0.860 11.6-156.1 46.3 47.1 10.1 36.6 16.5 83 83 A Y + 0 0 0 -8,-2.8 -34,-0.2 1,-0.1 -1,-0.2 -0.311 20.6 176.4 -56.3 131.2 13.6 37.2 17.9 84 84 A T + 0 0 14 -36,-2.7 54,-2.8 -3,-0.1 2,-0.3 0.425 58.9 49.2-117.2 -5.4 13.5 37.1 21.7 85 85 A L E +kl 49 138B 5 -37,-1.8 -35,-0.8 52,-0.2 2,-0.3 -0.886 56.8 173.4-130.9 164.0 17.2 37.6 22.6 86 86 A A E -kl 50 139B 1 52,-1.2 54,-2.2 -2,-0.3 2,-0.4 -0.973 16.9-150.1-165.7 155.9 19.9 39.9 21.5 87 87 A R E +kl 51 140B 0 -37,-1.1 -35,-2.3 -2,-0.3 54,-0.2 -0.978 18.0 177.8-131.8 144.5 23.5 40.8 22.4 88 88 A M E - l 0 141B 0 52,-2.0 54,-2.3 -2,-0.4 2,-0.3 -0.980 28.1-103.3-145.4 155.2 25.2 44.2 22.0 89 89 A P E - l 0 142B 0 0, 0.0 2,-0.9 0, 0.0 4,-0.1 -0.589 12.9-140.4 -87.2 142.5 28.6 45.7 22.7 90 90 A I E S- l 0 143B 1 52,-2.0 54,-0.7 -2,-0.3 55,-0.6 -0.899 86.5 -19.5 -97.2 104.8 29.6 48.0 25.6 91 91 A Q S S- 0 0 0 -2,-0.9 10,-0.2 52,-0.1 51,-0.1 -0.181 119.0 -20.9 78.1-177.2 31.8 50.4 23.7 92 92 A S - 0 0 0 8,-2.1 52,-0.4 53,-0.1 2,-0.2 -0.169 52.8-178.7 -66.7 150.1 33.3 49.4 20.3 93 93 A C - 0 0 0 5,-0.2 250,-0.2 51,-0.1 5,-0.2 -0.676 53.3 -83.8-127.3-178.5 33.8 45.9 18.9 94 94 A D S S+ 0 0 5 1,-0.2 2,-2.1 -2,-0.2 249,-1.9 0.851 121.5 71.4 -62.7 -31.5 35.4 45.1 15.5 95 95 A F S S+ 0 0 0 247,-0.2 -40,-2.4 248,-0.1 -41,-0.3 -0.438 83.2 96.7 -84.5 67.2 32.1 45.7 13.8 96 96 A S S S- 0 0 0 -2,-2.1 247,-0.9 -42,-0.2 3,-0.1 -0.915 89.5-108.4-143.9 164.9 32.2 49.5 14.3 97 97 A L S S- 0 0 89 -2,-0.3 2,-0.3 1,-0.3 245,-0.1 0.699 95.6 -44.1 -70.7 -17.1 33.4 52.4 12.2 98 98 A G S S- 0 0 16 -5,-0.2 -1,-0.3 2,-0.0 -5,-0.2 -0.949 86.0 -45.0 170.0 178.9 36.3 52.5 14.5 99 99 A N + 0 0 62 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.0 -0.389 57.3 167.6 -68.6 145.7 37.3 52.4 18.2 100 100 A Y - 0 0 16 -2,-0.1 -8,-2.1 3,-0.0 2,-0.3 -0.963 13.2-173.5-159.7 143.2 35.2 54.4 20.7 101 101 A A - 0 0 11 -2,-0.3 3,-0.1 -10,-0.2 -10,-0.1 -0.902 35.0-120.0-133.9 163.7 34.7 54.6 24.4 102 102 A Y S S+ 0 0 3 -2,-0.3 13,-2.3 1,-0.2 2,-0.3 0.627 104.9 23.7 -80.5 -13.5 32.4 56.4 26.8 103 103 A V - 0 0 3 11,-0.2 -1,-0.2 1,-0.1 11,-0.1 -0.968 62.9-172.2-150.3 133.9 35.3 58.2 28.5 104 104 A D + 0 0 116 -2,-0.3 2,-0.3 1,-0.1 45,-0.2 0.562 64.1 31.9-109.7 -9.0 38.7 58.9 26.9 105 105 A S S > S- 0 0 40 1,-0.1 4,-2.0 43,-0.1 -1,-0.1 -0.978 71.8-118.1-146.1 159.3 40.9 60.3 29.6 106 106 A S H > S+ 0 0 61 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.846 115.6 57.2 -63.6 -33.3 41.5 60.1 33.3 107 107 A A H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.946 107.4 44.7 -63.7 -49.5 40.6 63.8 33.5 108 108 A D H 4>S+ 0 0 40 2,-0.2 5,-3.1 1,-0.2 -1,-0.2 0.879 113.5 52.9 -62.5 -36.5 37.2 63.4 31.9 109 109 A L H ><5S+ 0 0 36 -4,-2.0 3,-1.8 3,-0.2 -2,-0.2 0.962 109.3 47.6 -61.6 -52.4 36.7 60.4 34.1 110 110 A Q H 3<5S+ 0 0 157 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.840 113.7 48.0 -57.4 -35.7 37.5 62.4 37.3 111 111 A Q T 3<5S- 0 0 119 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.352 113.9-119.1 -88.9 5.4 35.2 65.2 36.1 112 112 A G T < 5 + 0 0 55 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.769 59.2 152.5 64.1 29.7 32.4 62.7 35.4 113 113 A R < + 0 0 118 -5,-3.1 2,-0.2 -6,-0.2 -1,-0.2 -0.765 12.6 164.0 -99.5 97.8 32.2 63.5 31.7 114 114 A L - 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