==== 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 METHYLTRANSFERASE 09-JUL-98 1BKO . COMPND 2 MOLECULE: THYMIDYLATE SYNTHASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR T.J.STOUT,U.SCHELLENBERGER,D.V.SANTI,R.M.STROUD . 1112 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 14.5 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 2 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 . 79 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.5 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 6 0 4 0 0 1 4 4 1 3 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 15 9 4 3 0 3 3 1 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 . 8 2 0 3 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 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 T 0 0 56 0, 0.0 52,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0 63.6 10.8 15.0 18.6 2 3 A Q - 0 0 6 1,-0.2 54,-0.6 53,-0.1 237,-0.1 0.743 360.0-144.3 -54.6 -27.7 12.4 14.6 15.1 3 4 A F S > S+ 0 0 1 52,-0.1 4,-1.4 1,-0.1 -1,-0.2 0.217 95.0 74.6 76.5 -19.2 15.0 12.2 16.4 4 5 A D H > S+ 0 0 0 2,-0.2 4,-2.8 52,-0.2 5,-0.4 0.912 88.8 54.5 -81.8 -54.7 17.2 13.9 13.9 5 6 A K H > S+ 0 0 119 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.809 118.5 35.5 -44.6 -41.8 17.5 17.0 16.1 6 7 A Q H > S+ 0 0 56 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.903 114.8 54.1 -80.9 -47.1 18.7 14.8 18.9 7 8 A Y H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.4 0.950 107.4 51.1 -51.5 -55.9 20.7 12.3 16.9 8 9 A N H X S+ 0 0 22 -4,-2.8 4,-3.5 1,-0.3 -1,-0.2 0.831 107.2 56.0 -52.4 -36.4 22.8 15.0 15.2 9 10 A S H X S+ 0 0 75 -4,-0.6 4,-1.3 -5,-0.4 -1,-0.3 0.923 106.7 47.7 -62.1 -47.3 23.5 16.4 18.7 10 11 A I H X S+ 0 0 13 -4,-1.9 4,-1.7 -3,-0.4 -2,-0.2 0.879 116.3 45.6 -61.1 -39.5 24.9 13.1 19.8 11 12 A I H X S+ 0 0 2 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.954 109.6 52.9 -68.2 -51.8 27.0 12.9 16.7 12 13 A K H X S+ 0 0 135 -4,-3.5 4,-0.9 1,-0.2 -1,-0.2 0.733 112.7 47.5 -57.5 -22.4 28.1 16.6 16.9 13 14 A D H X S+ 0 0 52 -4,-1.3 4,-2.7 2,-0.2 5,-0.5 0.824 103.7 57.0 -87.1 -40.6 29.3 15.8 20.4 14 15 A I H < S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.677 109.0 52.3 -64.7 -16.5 31.2 12.6 19.7 15 16 A I H < S+ 0 0 55 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.885 117.5 31.9 -86.4 -39.6 33.2 14.8 17.3 16 17 A N H < S+ 0 0 111 -4,-0.9 -2,-0.2 1,-0.1 -3,-0.1 0.789 136.9 18.9 -91.1 -30.6 34.2 17.6 19.6 17 18 A N S < S+ 0 0 108 -4,-2.7 2,-0.2 -5,-0.1 -3,-0.2 0.288 90.0 139.5-122.0 7.1 34.5 15.9 23.0 18 19 A G - 0 0 20 -5,-0.5 2,-0.3 -4,-0.1 24,-0.2 -0.343 47.6-135.1 -65.4 123.8 34.9 12.3 21.8 19 20 A I E -A 41 0A 40 22,-1.9 22,-1.4 -2,-0.2 2,-0.1 -0.550 21.6-146.3 -74.9 133.0 37.4 10.0 23.5 20 21 A S E -A 40 0A 34 -2,-0.3 20,-0.2 20,-0.2 429,-0.1 -0.464 13.3-157.7 -95.9 169.0 39.5 7.9 21.0 21 22 A D > + 0 0 20 18,-0.9 3,-1.9 -2,-0.1 19,-0.1 0.094 51.4 123.2-135.0 26.9 40.9 4.4 21.5 22 23 A E T 3 S+ 0 0 93 1,-0.3 -1,-0.1 17,-0.2 18,-0.0 0.930 70.5 66.0 -50.2 -48.2 43.8 4.2 19.1 23 24 A E T 3 S+ 0 0 119 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.714 99.8 64.5 -46.9 -27.4 46.0 3.3 22.0 24 25 A F < - 0 0 38 -3,-1.9 2,-0.1 1,-0.1 -3,-0.1 -0.659 64.1-173.2-103.0 159.1 44.1 0.1 22.2 25 26 A D + 0 0 121 -2,-0.2 3,-0.1 13,-0.0 -1,-0.1 -0.206 32.8 89.7-121.8-147.3 43.8 -2.9 19.8 26 27 A V S S+ 0 0 87 1,-0.2 2,-0.0 -2,-0.1 -2,-0.0 0.375 76.8 21.3 64.1 155.6 41.8 -6.2 19.5 27 28 A R S S+ 0 0 72 9,-0.1 -1,-0.2 11,-0.0 10,-0.1 -0.277 91.3 70.4 61.6-131.9 38.4 -6.8 17.9 28 29 A T + 0 0 18 250,-0.1 9,-3.1 -3,-0.1 2,-0.3 0.218 51.0 152.3 -26.8 118.5 37.1 -4.3 15.2 29 30 A K B -C 36 0B 104 7,-0.3 249,-2.0 1,-0.1 -1,-0.0 -0.982 40.8-109.2-150.5 144.1 38.9 -4.2 11.9 30 31 A W B -D 277 0C 7 5,-1.4 247,-0.2 -2,-0.3 248,-0.1 0.078 9.0-141.9 -66.3-179.1 37.7 -3.2 8.4 31 32 A D S S+ 0 0 112 245,-0.5 -1,-0.1 3,-0.2 246,-0.1 0.569 95.3 72.0-113.0 -33.0 37.0 -5.6 5.5 32 33 A S S S- 0 0 81 244,-0.3 245,-0.1 1,-0.2 -2,-0.0 0.758 132.9 -3.4 -54.5 -29.0 38.3 -3.2 2.8 33 34 A D S S- 0 0 85 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.312 96.6-129.6-141.0 -10.1 41.8 -3.9 4.2 34 35 A G + 0 0 33 1,-0.2 -3,-0.2 -5,-0.0 243,-0.0 0.869 65.6 99.1 57.7 51.9 40.9 -6.2 7.2 35 36 A T S S- 0 0 74 1,-0.1 -5,-1.4 0, 0.0 -1,-0.2 -0.991 73.5 -15.6-163.4 156.0 42.8 -4.6 10.0 36 37 A P B +C 29 0B 95 0, 0.0 2,-0.4 0, 0.0 -7,-0.3 0.587 54.2 165.7 3.5 100.0 42.6 -2.2 13.1 37 38 A A + 0 0 1 -9,-3.1 2,-0.1 -10,-0.1 -12,-0.0 -0.858 13.1 171.4-131.3 89.8 39.4 -0.2 12.9 38 39 A H - 0 0 35 -2,-0.4 186,-1.3 1,-0.1 -16,-0.1 -0.386 17.2-125.8 -98.8-179.1 38.6 1.5 16.2 39 40 A T E - B 0 223A 3 184,-0.2 -18,-0.9 -2,-0.1 2,-0.2 -0.059 10.2-124.6-108.4-160.1 36.1 4.1 17.5 40 41 A L E -AB 20 222A 32 182,-0.6 182,-0.7 -20,-0.2 -20,-0.2 -0.737 39.3-174.2-154.5 95.5 35.4 7.4 19.3 41 42 A S E -A 19 0A 1 -22,-1.4 -22,-1.9 180,-0.2 2,-0.3 -0.399 21.2-168.8 -98.3 173.2 33.1 7.0 22.3 42 43 A V - 0 0 15 -24,-0.2 178,-2.3 176,-0.2 2,-0.3 -0.934 27.7-123.1-151.6 142.8 31.2 9.1 24.9 43 44 A I E S+E 219 0D 21 -2,-0.3 175,-0.2 1,-0.2 176,-0.2 -0.758 71.9 11.8-105.6 149.7 29.5 7.7 28.0 44 45 A S E + 0 0 8 174,-0.9 2,-0.5 173,-0.4 174,-0.2 0.981 68.9 170.7 60.4 64.5 26.0 7.8 29.4 45 46 A K E -E 217 0D 56 172,-2.4 172,-3.2 -3,-0.2 2,-0.4 -0.904 7.9-174.3-106.7 133.2 24.0 9.3 26.5 46 47 A Q E -E 216 0D 63 -2,-0.5 2,-0.3 170,-0.3 170,-0.3 -0.984 10.3-168.7-132.2 142.2 20.2 9.3 26.7 47 48 A M E -E 215 0D 2 168,-3.6 168,-3.5 -2,-0.4 2,-0.3 -0.906 7.2-172.7-124.1 151.7 17.3 10.2 24.4 48 49 A R E -E 214 0D 77 -2,-0.3 2,-0.4 166,-0.2 166,-0.2 -0.955 6.6-170.1-153.0 133.3 13.6 10.7 25.1 49 50 A F E -E 213 0D 2 164,-2.0 164,-2.5 -2,-0.3 -2,-0.0 -0.937 24.0-147.0-123.6 143.7 10.4 11.2 23.1 50 51 A D - 0 0 102 -2,-0.4 -1,-0.1 162,-0.2 162,-0.0 0.338 51.6-114.8 -83.1 2.1 6.9 12.2 24.2 51 52 A N S S+ 0 0 15 162,-0.1 159,-0.1 -50,-0.1 161,-0.1 0.691 77.5 134.2 69.8 19.9 5.7 10.1 21.2 52 53 A S S S+ 0 0 98 2,-0.0 2,-0.2 0, 0.0 -1,-0.0 0.972 82.7 10.6 -58.6 -54.2 4.2 13.2 19.5 53 54 A E S S- 0 0 42 -52,-0.1 190,-0.1 190,-0.0 -51,-0.0 -0.460 98.6 -92.9-109.1-174.4 5.9 11.9 16.3 54 55 A V - 0 0 9 -2,-0.2 2,-0.6 188,-0.2 139,-0.1 -0.841 41.1-112.2-104.4 134.9 7.5 8.5 15.7 55 56 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 141,-0.2 -0.648 64.8 125.8 -70.8 117.1 11.2 8.3 16.3 56 57 A I - 0 0 1 -2,-0.6 -52,-0.2 -54,-0.6 2,-0.1 -0.935 56.2-103.2-170.4 148.0 12.9 7.8 12.9 57 58 A L + 0 0 0 -2,-0.3 5,-0.3 1,-0.1 -54,-0.1 -0.387 23.1 177.8 -76.5 151.5 15.5 9.3 10.6 58 59 A T S S+ 0 0 1 -2,-0.1 211,-2.9 3,-0.1 -1,-0.1 0.563 76.0 64.9-124.3 -24.2 14.8 11.5 7.6 59 60 A T S S+ 0 0 0 209,-0.2 2,-0.3 177,-0.1 178,-0.1 0.563 114.9 24.1 -79.2 -9.4 18.4 12.3 6.4 60 61 A K S S- 0 0 21 211,-0.1 2,-0.6 176,-0.1 211,-0.1 -0.959 92.0 -99.7-148.9 157.0 19.1 8.7 5.5 61 62 A K - 0 0 109 209,-0.4 2,-0.5 -2,-0.3 211,-0.1 -0.756 30.8-157.7 -86.2 118.1 16.8 5.7 4.7 62 63 A V - 0 0 10 -2,-0.6 2,-2.8 -5,-0.3 3,-0.3 -0.832 21.1-130.5 -93.8 127.3 16.3 3.4 7.7 63 64 A A >> + 0 0 42 -2,-0.5 3,-1.6 1,-0.2 4,-0.9 -0.369 46.3 160.1 -75.3 61.7 15.3 -0.1 6.6 64 65 A W H >> + 0 0 39 -2,-2.8 4,-1.7 1,-0.3 3,-0.9 0.848 62.3 67.2 -50.0 -46.1 12.4 -0.0 9.0 65 66 A K H 3> S+ 0 0 107 -3,-0.3 4,-0.8 1,-0.3 -1,-0.3 0.780 107.2 41.5 -49.3 -30.9 10.6 -2.8 7.2 66 67 A T H <> S+ 0 0 44 -3,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.650 102.6 68.1 -92.5 -20.8 13.3 -5.2 8.4 67 68 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-1.1 0.949 111.1 51.4 -48.9 -58.1 12.0 -7.6 16.5 72 73 A L H 3X>S+ 0 0 3 -4,-3.8 5,-2.3 1,-0.3 4,-1.3 0.898 103.4 57.9 -44.9 -55.9 9.2 -10.0 15.8 73 74 A W H 3<5S+ 0 0 0 -4,-2.1 6,-1.8 -5,-0.2 -1,-0.3 0.802 115.2 37.7 -47.7 -37.1 11.5 -13.0 15.5 74 75 A I H <<5S+ 0 0 5 -4,-1.4 -2,-0.2 -3,-1.1 -1,-0.2 0.926 127.3 26.0 -85.3 -51.7 12.8 -12.3 19.1 75 76 A W H <5S+ 0 0 7 -4,-2.4 -3,-0.2 2,-0.1 -2,-0.1 0.909 131.5 31.0 -80.8 -50.9 9.7 -11.1 21.1 76 77 A Q T <5S+ 0 0 22 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.886 135.0 29.7 -75.5 -43.3 6.7 -12.7 19.4 77 78 A L S > -I 102 0E 35 21,-0.3 4,-0.7 1,-0.1 3,-0.7 -0.698 55.3-160.3 -86.9 122.2 17.0 -20.1 15.1 82 83 A V H 3> S+ 0 0 0 19,-2.1 4,-1.8 -2,-0.5 3,-0.4 0.774 84.8 73.1 -70.5 -28.3 17.9 -18.0 12.0 83 84 A N H 3> S+ 0 0 74 18,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.873 96.3 53.1 -54.6 -35.9 16.2 -20.3 9.5 84 85 A D H <4 S+ 0 0 68 -3,-0.7 4,-0.3 1,-0.2 -1,-0.3 0.878 110.3 46.2 -64.3 -40.6 12.9 -18.9 10.9 85 86 A L H <>S+ 0 0 2 -4,-0.7 5,-0.8 -3,-0.4 4,-0.2 0.696 109.0 58.5 -73.4 -22.0 14.2 -15.4 10.3 86 87 A N H >X5S+ 0 0 21 -4,-1.8 3,-2.8 1,-0.2 4,-0.5 0.941 98.9 55.1 -69.9 -54.3 15.3 -16.6 6.8 87 88 A M T 3<5S+ 0 0 151 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.642 101.9 60.9 -54.3 -19.6 11.8 -17.6 5.8 88 89 A M T 345S- 0 0 55 -4,-0.3 -1,-0.3 2,-0.2 -2,-0.2 0.655 127.3 -99.7 -82.7 -17.0 10.8 -14.1 6.6 89 90 A G T <45S+ 0 0 51 -3,-2.8 2,-0.4 1,-0.3 -3,-0.2 0.835 82.9 121.3 99.5 42.7 13.2 -12.8 4.0 90 91 A V << + 0 0 9 -5,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 -0.998 24.7 164.0-139.1 136.4 16.2 -11.8 6.1 91 92 A H > + 0 0 118 -2,-0.4 3,-1.0 2,-0.1 4,-0.2 0.164 49.5 108.8-133.5 11.4 19.8 -13.0 5.9 92 93 A I T 3 S+ 0 0 120 1,-0.2 3,-0.1 2,-0.1 -6,-0.0 0.504 84.6 43.9 -70.8 -6.0 21.4 -10.2 8.0 93 94 A W T > S+ 0 0 22 -11,-0.1 3,-1.1 2,-0.1 4,-0.3 0.411 79.5 101.0-117.5 -1.7 22.0 -12.7 10.8 94 95 A D G X + 0 0 46 -3,-1.0 3,-1.0 1,-0.2 -2,-0.1 0.703 68.6 76.1 -56.2 -21.3 23.3 -15.7 8.8 95 96 A Q G 3 S+ 0 0 139 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.915 96.4 42.2 -58.4 -47.5 26.8 -14.7 9.8 96 97 A W G < S+ 0 0 86 -3,-1.1 2,-0.3 5,-0.1 -1,-0.2 0.389 78.6 142.0 -82.9 3.0 26.6 -16.0 13.4 97 98 A K < - 0 0 95 -3,-1.0 6,-0.1 -4,-0.3 5,-0.1 -0.271 40.7-152.0 -50.5 107.3 24.8 -19.2 12.4 98 99 A Q - 0 0 102 4,-0.5 5,-0.1 -2,-0.3 -1,-0.1 0.060 36.8 -74.5 -72.5-173.4 26.3 -21.8 14.7 99 100 A E S S+ 0 0 186 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.772 137.5 34.2 -54.2 -33.0 26.7 -25.5 14.1 100 101 A D S S- 0 0 114 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 0.647 117.0-108.5 -97.2 -20.6 23.0 -26.0 14.6 101 102 A G S S+ 0 0 6 1,-0.4 -19,-2.1 -5,-0.1 2,-0.4 0.449 84.3 110.4 105.7 1.4 21.8 -22.7 13.1 102 103 A T B S-I 81 0E 23 -21,-0.2 -4,-0.5 -20,-0.1 -1,-0.4 -0.880 73.6-128.5-110.1 140.4 20.8 -21.1 16.4 103 104 A I - 0 0 0 -23,-2.4 53,-2.1 -2,-0.4 54,-0.4 0.081 56.5-117.3 -75.0 28.2 22.7 -18.2 17.8 104 105 A G B -J 155 0F 15 51,-0.2 2,-1.2 1,-0.2 5,-0.3 -0.284 65.6 -19.1 74.6-157.6 22.8 -20.1 21.1 105 106 A H S S+ 0 0 71 49,-1.9 2,-0.2 46,-0.2 -1,-0.2 -0.215 106.8 109.9 -82.6 46.7 21.3 -19.2 24.4 106 107 A A S > S- 0 0 0 -2,-1.2 3,-2.0 -3,-0.2 4,-0.1 -0.735 73.9 -17.6-118.7 167.5 21.1 -15.5 23.4 107 108 A Y T >> S+ 0 0 29 1,-0.3 4,-1.6 -2,-0.2 3,-1.4 -0.100 131.1 23.8 42.6-117.8 18.2 -13.1 22.6 108 109 A G H 3> S+ 0 0 0 -29,-0.5 4,-1.7 1,-0.3 -1,-0.3 0.755 120.2 60.0 -45.5 -36.3 15.0 -14.9 21.7 109 110 A F H <> S+ 0 0 57 -3,-2.0 4,-1.2 -5,-0.3 -1,-0.3 0.880 105.3 49.0 -62.2 -41.5 16.1 -18.0 23.7 110 111 A Q H X4 S+ 0 0 0 -3,-1.4 3,-1.1 2,-0.2 15,-0.4 0.967 109.2 50.0 -61.8 -55.5 16.3 -16.0 26.9 111 112 A L H 3< S+ 0 0 0 -4,-1.6 15,-1.0 1,-0.3 -1,-0.2 0.845 111.9 52.4 -52.6 -34.4 12.9 -14.3 26.5 112 113 A G H 3< S+ 0 0 23 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.737 79.4 114.3 -75.8 -25.5 11.5 -17.8 25.9 113 114 A K << - 0 0 57 -4,-1.2 2,-1.7 -3,-1.1 12,-0.8 -0.232 65.6-137.1 -53.3 125.7 13.0 -19.5 29.0 114 115 A K + 0 0 148 1,-0.2 10,-0.3 10,-0.2 -1,-0.1 -0.601 58.0 131.6 -85.8 75.7 10.2 -20.6 31.4 115 116 A N + 0 0 11 -2,-1.7 2,-0.2 8,-0.4 317,-0.2 0.656 46.3 74.9-101.9 -22.1 11.9 -19.4 34.5 116 117 A R E -K 123 0G 44 7,-2.3 7,-3.4 -3,-0.3 2,-0.4 -0.643 65.9-140.5 -96.4 156.0 9.2 -17.4 36.3 117 118 A S E +K 122 0G 52 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.902 22.0 169.1-113.8 141.9 6.2 -18.7 38.3 118 119 A L S S- 0 0 34 3,-2.0 -2,-0.0 -2,-0.4 10,-0.0 -0.840 71.8 -13.5-156.7 111.3 2.7 -17.1 38.2 119 120 A N S S- 0 0 138 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.959 129.7 -49.1 60.6 55.0 -0.4 -18.8 39.7 120 121 A G S S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.842 118.9 111.9 54.0 39.3 1.2 -22.2 40.0 121 122 A E - 0 0 132 2,-0.0 -3,-2.0 0, 0.0 2,-0.7 -0.968 69.3-121.1-141.4 151.0 2.5 -22.0 36.4 122 123 A K E +K 117 0G 94 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.856 39.0 177.8 -97.8 113.5 5.9 -21.7 34.7 123 124 A V E -K 116 0G 15 -7,-3.4 -7,-2.3 -2,-0.7 -8,-0.4 -0.811 24.7-122.1-118.5 152.8 6.1 -18.6 32.5 124 125 A D > - 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