==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-SEP-11 3TX0 . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR T.P.PANOSIAN,D.P.NANNEMAN,B.O.BACHMANN,T.M.IVERSON . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 7.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 28 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 2 1 1 1 2 0 1 1 1 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 0 2 1 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 . 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 1 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 N 0 0 110 0, 0.0 3,-0.1 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 119.3 -6.3 -13.6 -2.8 2 3 A K + 0 0 91 373,-0.4 2,-0.4 1,-0.3 374,-0.1 0.816 360.0 30.2 -76.5 -38.2 -3.2 -11.6 -2.0 3 4 A Y - 0 0 5 372,-0.1 -1,-0.3 1,-0.1 316,-0.2 -0.987 64.0-160.3-123.4 135.6 -4.2 -9.4 -5.0 4 5 A K S S+ 0 0 53 314,-1.8 271,-1.6 -2,-0.4 2,-0.4 0.908 84.0 21.8 -71.1 -46.8 -7.6 -8.7 -6.2 5 6 A R E -ab 275 319A 7 313,-1.1 315,-2.2 269,-0.2 2,-0.5 -0.972 63.2-160.8-131.2 139.4 -6.5 -7.6 -9.7 6 7 A I E -ab 276 320A 0 269,-1.9 271,-3.0 -2,-0.4 2,-0.7 -0.985 6.0-159.9-123.1 121.1 -3.4 -8.3 -11.7 7 8 A F E -ab 277 321A 1 313,-2.8 315,-3.4 -2,-0.5 2,-0.5 -0.921 10.8-169.3-102.7 113.7 -2.4 -6.0 -14.6 8 9 A L E -ab 278 322A 0 269,-2.9 271,-2.9 -2,-0.7 2,-0.5 -0.934 2.0-170.4-109.0 125.5 -0.1 -7.8 -17.0 9 10 A V E -ab 279 323A 2 313,-2.7 315,-2.8 -2,-0.5 2,-0.6 -0.959 6.1-163.2-119.8 115.3 1.6 -5.7 -19.7 10 11 A V E -ab 280 324A 0 269,-2.6 271,-2.4 -2,-0.5 2,-1.1 -0.894 7.9-155.6 -95.7 121.3 3.6 -7.4 -22.4 11 12 A M E > -a 281 0A 1 313,-3.4 3,-2.3 -2,-0.6 315,-0.3 -0.813 32.7-125.2 -93.1 94.6 5.8 -4.9 -24.2 12 13 A D T 3 S- 0 0 0 269,-1.7 273,-0.1 -2,-1.1 317,-0.1 -0.096 80.0 -7.6 -52.6 127.0 6.0 -6.9 -27.4 13 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.1 315,-0.1 316,-1.1 0.514 84.4 142.4 67.7 11.0 9.6 -7.6 -28.5 14 15 A V < + 0 0 1 -3,-2.3 314,-0.2 314,-0.2 -1,-0.2 -0.491 31.1 179.5 -84.6 75.9 11.3 -5.5 -25.8 15 16 A G - 0 0 0 -2,-2.1 18,-2.3 328,-0.1 328,-0.2 -0.368 28.2-150.0 -83.7 158.0 14.2 -7.8 -25.2 16 17 A I - 0 0 2 326,-3.0 327,-0.1 1,-0.4 2,-0.1 0.003 65.4 -40.8-119.2 28.3 16.9 -7.1 -22.7 17 18 A G S S- 0 0 8 325,-0.3 325,-2.4 2,-0.0 -1,-0.4 -0.224 81.2 -51.0 125.6 146.7 19.9 -8.9 -24.2 18 19 A E B -I 341 0B 74 12,-2.1 323,-0.3 323,-0.2 10,-0.1 -0.100 58.0-123.2 -49.7 133.6 20.8 -12.1 -26.0 19 20 A A > - 0 0 2 321,-2.2 3,-2.1 1,-0.1 4,-0.2 -0.359 27.3-102.5 -73.6 159.9 19.7 -15.3 -24.3 20 21 A P T 3 S+ 0 0 65 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.747 125.5 42.3 -52.1 -25.5 22.1 -18.0 -23.2 21 22 A D T > S+ 0 0 34 1,-0.1 3,-1.9 2,-0.1 4,-0.3 0.190 74.1 120.5-111.5 16.0 20.9 -20.0 -26.3 22 23 A A G X>> + 0 0 0 -3,-2.1 3,-2.1 1,-0.3 5,-2.1 0.776 65.0 69.7 -44.6 -37.8 20.8 -17.1 -28.9 23 24 A E G >45S+ 0 0 98 1,-0.3 3,-0.6 -4,-0.2 -1,-0.3 0.788 91.6 59.0 -56.2 -28.5 23.3 -18.9 -31.2 24 25 A Q G <45S+ 0 0 146 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.695 111.3 41.7 -76.8 -14.2 20.7 -21.5 -32.0 25 26 A F G <45S- 0 0 44 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.320 113.8-110.8-116.4 2.4 18.5 -18.7 -33.4 26 27 A G T <<5S+ 0 0 55 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.815 83.6 122.2 71.7 33.0 21.1 -16.7 -35.2 27 28 A D > < + 0 0 7 -5,-2.1 3,-1.5 -6,-0.1 -4,-0.2 0.031 26.4 152.8-119.1 25.3 20.8 -13.9 -32.7 28 29 A L T 3 S+ 0 0 100 -6,-0.3 -7,-0.0 1,-0.3 0, 0.0 -0.383 73.0 17.9 -56.1 122.4 24.4 -13.7 -31.5 29 30 A G T 3 S+ 0 0 42 1,-0.3 2,-0.3 -2,-0.2 -1,-0.3 0.697 88.0 150.5 88.5 21.8 24.9 -10.1 -30.3 30 31 A S < + 0 0 2 -3,-1.5 -12,-2.1 310,-0.2 -1,-0.3 -0.659 12.0 159.8 -92.3 144.6 21.3 -9.0 -30.0 31 32 A D > - 0 0 19 -2,-0.3 4,-2.5 -14,-0.3 5,-0.3 -0.601 13.3-174.7-164.3 87.1 20.2 -6.4 -27.4 32 33 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -16,-0.2 0.976 86.0 28.0 -57.7 -67.8 16.9 -4.7 -28.1 33 34 A I H > S+ 0 0 5 -18,-2.3 4,-3.1 1,-0.2 5,-0.2 0.952 122.2 52.6 -61.5 -50.9 16.8 -2.1 -25.3 34 35 A G H > S+ 0 0 2 1,-0.2 4,-1.5 -19,-0.2 26,-0.2 0.883 111.0 46.2 -51.3 -41.9 20.5 -1.7 -25.0 35 36 A H H X S+ 0 0 54 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.903 113.0 49.9 -73.9 -35.4 21.0 -1.1 -28.8 36 37 A I H X S+ 0 0 0 -4,-2.0 4,-3.3 -5,-0.3 5,-0.2 0.956 108.2 53.0 -62.0 -52.8 18.1 1.4 -28.8 37 38 A A H <>S+ 0 0 0 -4,-3.1 5,-3.1 2,-0.2 4,-0.3 0.817 110.8 48.5 -47.5 -39.5 19.6 3.3 -25.8 38 39 A E H ><5S+ 0 0 120 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 0.952 113.2 45.4 -69.1 -49.7 22.9 3.5 -27.7 39 40 A H H 3<5S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.878 114.1 50.5 -59.2 -38.5 21.2 4.8 -30.9 40 41 A M T 3<5S- 0 0 23 -4,-3.3 -1,-0.3 -5,-0.1 -2,-0.2 0.514 107.4-127.1 -74.3 -9.4 19.1 7.2 -28.8 41 42 A N T < 5S- 0 0 129 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.933 88.1 -4.1 54.4 50.2 22.2 8.5 -27.0 42 43 A G S + 0 0 5 -2,-0.7 4,-2.6 16,-0.3 3,-0.3 -0.403 14.4 164.7-144.6 58.8 12.4 6.1 -19.2 46 47 A P H > S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.801 75.9 48.2 -56.5 -32.7 12.2 7.7 -15.7 47 48 A N H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.897 111.9 45.5 -76.7 -41.7 9.3 5.5 -14.6 48 49 A M H >>S+ 0 0 2 -3,-0.3 5,-2.8 2,-0.2 4,-1.1 0.902 114.0 52.6 -63.9 -40.6 10.6 2.1 -15.7 49 50 A V H <5S+ 0 0 20 -4,-2.6 3,-0.4 3,-0.2 16,-0.3 0.903 107.7 51.1 -59.5 -41.7 13.8 3.2 -14.1 50 51 A K H <5S+ 0 0 94 -4,-1.6 19,-2.4 -5,-0.3 20,-0.3 0.867 106.4 53.5 -63.3 -38.6 11.9 3.9 -11.0 51 52 A L H <5S- 0 0 1 -4,-2.1 19,-0.8 17,-0.2 -1,-0.2 0.716 131.9 -95.9 -69.4 -20.6 10.4 0.5 -11.0 52 53 A G T >X5S+ 0 0 0 -4,-1.1 3,-0.9 -3,-0.4 4,-0.8 0.578 77.6 141.2 117.7 16.9 13.9 -0.8 -11.3 53 54 A L H >> -J 62 0C 19 3,-2.2 3,-2.6 -2,-0.4 -25,-0.1 -0.850 49.0 -54.9-139.0 172.0 22.1 0.9 -20.2 60 61 A K T 3 S- 0 0 92 1,-0.3 -17,-1.5 -2,-0.3 -18,-0.2 -0.270 128.7 -1.5 -51.4 125.9 22.5 4.3 -21.9 61 62 A G T 3 S+ 0 0 47 -19,-0.3 2,-0.7 1,-0.1 -16,-0.3 0.263 115.8 96.9 76.1 -13.1 20.1 6.6 -20.0 62 63 A I B < +J 59 0C 0 -3,-2.6 -3,-2.2 -18,-0.1 2,-0.3 -0.900 49.7 169.3-115.6 103.2 19.0 3.8 -17.7 63 64 A S - 0 0 71 -2,-0.7 -9,-0.4 -5,-0.2 -8,-0.2 -0.756 36.7 -99.8-111.5 159.6 20.8 3.8 -14.4 64 65 A K - 0 0 118 -10,-0.4 2,-0.2 -2,-0.3 -14,-0.1 -0.437 33.1-138.7 -78.9 151.4 20.0 1.8 -11.3 65 66 A V - 0 0 39 -16,-0.3 -1,-0.1 -2,-0.1 -15,-0.0 -0.640 11.6-129.8-107.6 166.7 18.2 3.3 -8.4 66 67 A E S S+ 0 0 202 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.890 100.9 23.5 -83.7 -42.2 18.7 2.9 -4.6 67 68 A K S S- 0 0 130 290,-0.0 -1,-0.3 288,-0.0 290,-0.1 -0.760 81.6-160.1-128.4 86.2 15.2 2.1 -3.6 68 69 A P - 0 0 7 0, 0.0 288,-1.7 0, 0.0 -17,-0.2 -0.286 18.5-134.0 -66.2 149.3 13.2 0.7 -6.5 69 70 A L S S+ 0 0 55 -19,-2.4 280,-0.4 286,-0.2 -18,-0.2 0.843 82.9 24.1 -72.4 -35.9 9.4 0.8 -6.4 70 71 A G S S- 0 0 0 -19,-0.8 286,-0.5 -20,-0.3 2,-0.3 -0.438 89.2 -85.5-117.1-171.2 8.9 -2.8 -7.6 71 72 A Y E -C 347 0A 36 276,-2.8 276,-2.4 285,-0.3 2,-0.3 -0.729 47.9-163.7 -95.9 155.0 10.6 -6.2 -7.7 72 73 A Y E +Cd 346 358A 29 285,-1.4 287,-3.3 -2,-0.3 2,-0.3 -0.982 23.9 123.2-148.3 148.5 12.9 -6.8 -10.7 73 74 A T E -C 345 0A 7 272,-1.4 272,-2.2 -2,-0.3 2,-0.3 -0.944 46.4 -95.8-177.8-174.5 14.7 -9.5 -12.7 74 75 A K E -C 344 0A 58 -2,-0.3 288,-2.6 270,-0.2 2,-0.4 -0.849 28.0-139.4-116.1 157.1 15.1 -11.1 -16.1 75 76 A M E -Ce 343 362A 0 268,-2.4 268,-1.9 -2,-0.3 2,-0.4 -0.970 5.9-148.2-121.8 141.1 13.3 -14.1 -17.6 76 77 A Q - 0 0 44 286,-3.2 2,-0.4 -2,-0.4 266,-0.1 -0.818 22.2-122.2-100.5 140.3 14.8 -16.8 -19.8 77 78 A E - 0 0 5 -2,-0.4 287,-0.1 287,-0.2 10,-0.0 -0.684 22.7-175.1 -86.3 134.7 12.7 -18.5 -22.4 78 79 A K + 0 0 110 -2,-0.4 -1,-0.1 2,-0.0 17,-0.1 0.824 56.1 88.8 -94.3 -36.3 12.3 -22.3 -22.2 79 80 A S S S- 0 0 0 15,-0.2 18,-0.2 1,-0.1 -2,-0.0 -0.091 82.2-119.7 -62.3 163.5 10.3 -23.0 -25.4 80 81 A T S S+ 0 0 51 16,-2.7 2,-0.2 6,-0.0 17,-0.1 0.417 87.7 74.7 -92.7 2.7 12.0 -23.6 -28.7 81 82 A G - 0 0 2 15,-0.4 15,-0.1 17,-0.1 20,-0.1 -0.720 54.6-162.9-109.4 166.8 10.4 -20.6 -30.5 82 83 A K + 0 0 25 18,-0.3 257,-0.2 -2,-0.2 2,-0.1 0.021 56.9 115.3-131.2 19.6 11.0 -16.8 -30.4 83 84 A D S > S- 0 0 5 17,-0.1 4,-2.1 255,-0.1 5,-0.1 -0.393 79.5-104.6 -85.6 168.6 7.6 -15.9 -32.0 84 85 A T H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.912 118.3 49.1 -63.5 -43.7 4.8 -13.9 -30.4 85 86 A M H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.934 110.2 50.0 -65.0 -43.3 2.5 -17.0 -29.9 86 87 A T H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.955 112.4 49.0 -57.9 -49.0 5.3 -19.1 -28.3 87 88 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 114.0 43.3 -54.8 -52.0 6.2 -16.2 -25.9 88 89 A H H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.873 113.3 51.8 -67.9 -39.2 2.6 -15.6 -24.8 89 90 A W H <>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 3,-0.3 0.925 111.1 48.0 -64.0 -46.9 1.8 -19.3 -24.4 90 91 A E H ><5S+ 0 0 0 -4,-2.9 3,-1.7 -5,-0.2 279,-0.2 0.904 107.8 56.0 -55.8 -42.8 4.9 -19.8 -22.3 91 92 A I H 3<5S+ 0 0 0 -4,-2.2 278,-2.0 1,-0.3 -1,-0.2 0.831 107.5 49.5 -59.0 -33.8 3.9 -16.7 -20.1 92 93 A M T 3<5S- 0 0 0 -4,-1.4 131,-2.6 -3,-0.3 -1,-0.3 0.110 134.6 -82.5-102.5 19.1 0.6 -18.3 -19.4 93 94 A G T < 5S+ 0 0 2 -3,-1.7 290,-0.9 1,-0.3 289,-0.4 0.466 86.4 119.1 109.4 5.7 2.1 -21.6 -18.4 94 95 A L < - 0 0 12 -5,-2.3 2,-0.5 -8,-0.1 -1,-0.3 -0.591 48.2-142.3-104.5 160.6 2.9 -23.8 -21.5 95 96 A Y - 0 0 78 124,-0.3 2,-0.5 -2,-0.2 -9,-0.0 -0.989 18.5-158.0-123.5 125.2 6.1 -25.2 -22.9 96 97 A I + 0 0 1 -2,-0.5 -16,-2.7 1,-0.1 -15,-0.4 -0.908 26.6 165.1-115.5 122.0 6.3 -25.2 -26.7 97 98 A D S S+ 0 0 93 -2,-0.5 -1,-0.1 -18,-0.2 -18,-0.0 0.556 77.6 59.1-104.3 -17.2 8.6 -27.6 -28.6 98 99 A T S S- 0 0 53 -17,-0.0 -1,-0.2 -12,-0.0 2,-0.1 -0.927 81.3-170.4-112.6 104.2 6.9 -26.9 -31.9 99 100 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 90,-0.2 -0.414 18.5-106.4 -98.1 171.5 7.3 -23.2 -32.5 100 101 A F - 0 0 9 -2,-0.1 2,-0.5 88,-0.1 -18,-0.3 -0.608 22.9-119.6 -97.0 151.6 5.7 -20.9 -35.1 101 102 A Q - 0 0 66 88,-3.3 90,-0.3 -2,-0.2 -20,-0.0 -0.803 13.8-160.0 -86.9 132.8 7.3 -19.3 -38.1 102 103 A V - 0 0 4 -2,-0.5 55,-0.3 54,-0.1 -1,-0.1 0.805 11.8-165.9 -80.9 -32.8 7.1 -15.5 -38.1 103 104 A F > + 0 0 30 1,-0.1 3,-0.8 53,-0.1 54,-0.1 0.943 10.0 179.9 45.0 63.3 7.6 -15.2 -41.9 104 105 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.812 76.5 33.6 -69.3 -24.8 8.3 -11.5 -41.5 105 106 A E T 3 S- 0 0 110 1,-0.4 2,-0.3 22,-0.1 -2,-0.1 0.279 123.5 -84.9-110.5 4.9 8.9 -10.9 -45.3 106 107 A G < - 0 0 11 -3,-0.8 -1,-0.4 21,-0.2 21,-0.1 -0.749 59.8 -45.6 116.4-167.2 6.5 -13.5 -46.7 107 108 A F - 0 0 10 -2,-0.3 2,-0.1 -3,-0.1 81,-0.0 -0.700 52.7-100.0-110.9 147.9 6.4 -17.2 -47.5 108 109 A P >> - 0 0 55 0, 0.0 4,-1.2 0, 0.0 3,-0.9 -0.411 37.0-118.6 -65.0 146.2 8.9 -19.5 -49.3 109 110 A K H 3> S+ 0 0 171 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.859 108.1 62.5 -54.6 -45.3 7.9 -20.2 -52.9 110 111 A E H 3> S+ 0 0 98 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.829 102.0 51.3 -54.9 -36.9 7.5 -24.0 -52.4 111 112 A L H <> S+ 0 0 4 -3,-0.9 4,-1.7 2,-0.2 -1,-0.3 0.922 113.7 44.7 -64.4 -42.6 4.6 -23.5 -49.9 112 113 A L H X S+ 0 0 9 -4,-1.2 4,-1.9 -3,-0.3 -2,-0.2 0.851 110.6 52.3 -75.4 -31.9 2.9 -21.2 -52.3 113 114 A D H X S+ 0 0 77 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.858 107.8 54.0 -66.7 -35.5 3.4 -23.4 -55.4 114 115 A E H X S+ 0 0 50 -4,-1.6 4,-1.6 -5,-0.3 -2,-0.2 0.910 109.2 47.3 -61.6 -44.0 1.9 -26.2 -53.4 115 116 A L H X S+ 0 0 3 -4,-1.7 4,-1.3 2,-0.2 6,-0.4 0.815 112.3 50.1 -67.4 -32.9 -1.2 -24.0 -52.7 116 117 A E H >X>S+ 0 0 41 -4,-1.9 4,-2.3 2,-0.2 3,-0.6 0.964 112.3 47.1 -64.0 -54.2 -1.4 -23.1 -56.5 117 118 A E H 3<5S+ 0 0 147 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.783 115.7 46.9 -55.5 -32.1 -1.2 -26.8 -57.4 118 119 A K H 3<5S+ 0 0 118 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.744 119.9 34.9 -86.1 -20.3 -3.8 -27.6 -54.8 119 120 A T H <<5S- 0 0 30 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.682 94.2-120.8-108.9 -21.9 -6.3 -24.8 -55.7 120 121 A G T <5S+ 0 0 78 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.479 79.1 110.6 87.8 6.0 -6.3 -24.2 -59.5 121 122 A R < - 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