==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-JUL-13 4LRD . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE 4H11 VARIANT; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR W.A.BIRMINGHAM,C.A.STARBIRD,T.D.PANOSIAN,D.P.NANNEMANN,T.M.I . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16132.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 69.1 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 . 30 7.7 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 2 1 1 1 2 0 0 2 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 2 2 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, 0.0 375,-0.1 0, 0.0 374,-0.1 0.000 360.0 360.0 360.0 127.8 24.6 6.4 21.7 2 3 A K + 0 0 90 373,-0.6 2,-0.4 1,-0.2 374,-0.1 0.935 360.0 28.9 -62.0 -50.9 24.2 6.8 17.9 3 4 A Y - 0 0 6 372,-0.1 316,-0.2 1,-0.1 -1,-0.2 -0.956 66.8-158.3-107.1 138.4 20.3 6.8 18.4 4 5 A K S S+ 0 0 54 314,-2.1 271,-1.9 -2,-0.4 2,-0.4 0.828 82.7 23.5 -75.4 -37.5 18.8 8.0 21.6 5 6 A R E -ab 275 319A 8 313,-1.3 315,-2.0 269,-0.2 2,-0.5 -0.999 63.5-163.3-130.4 137.5 15.5 6.0 21.1 6 7 A I E -ab 276 320A 0 269,-2.4 271,-2.7 -2,-0.4 2,-0.6 -0.992 6.7-159.8-118.7 129.9 14.8 2.9 19.0 7 8 A F E -ab 277 321A 1 313,-2.8 315,-2.9 -2,-0.5 2,-0.5 -0.955 10.8-169.5-105.9 114.9 11.2 2.1 18.1 8 9 A L E -ab 278 322A 0 269,-2.5 271,-3.1 -2,-0.6 2,-0.5 -0.913 1.4-170.3-112.5 120.5 10.9 -1.6 17.2 9 10 A V E -ab 279 323A 2 313,-2.6 315,-2.8 -2,-0.5 2,-0.7 -0.972 7.3-164.2-117.4 118.2 7.5 -2.8 15.7 10 11 A V E -ab 280 324A 0 269,-2.7 271,-2.8 -2,-0.5 2,-1.1 -0.930 8.2-157.0-100.7 113.2 6.7 -6.4 15.2 11 12 A M E > -a 281 0A 1 313,-2.8 3,-2.0 -2,-0.7 315,-0.4 -0.808 36.5-123.9 -80.0 95.2 3.8 -6.9 12.8 12 13 A D T 3 S- 0 0 0 269,-1.7 273,-0.1 -2,-1.1 3,-0.1 -0.279 80.9 -5.0 -62.0 125.1 3.1 -10.3 14.3 13 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.2 314,-0.1 316,-1.0 0.432 83.7 143.4 78.6 5.5 3.1 -13.0 11.5 14 15 A V < - 0 0 2 -3,-2.0 -1,-0.2 314,-0.2 314,-0.1 -0.473 31.8-178.4 -84.9 79.4 3.5 -10.6 8.5 15 16 A G - 0 0 0 -2,-2.2 18,-2.4 328,-0.2 19,-0.2 -0.360 29.6-150.4 -78.4 154.8 5.7 -12.9 6.5 16 17 A I - 0 0 1 326,-2.9 327,-0.1 1,-0.4 -1,-0.1 -0.015 66.2 -45.6-122.7 36.9 7.3 -12.1 3.1 17 18 A G S S- 0 0 8 325,-0.3 325,-2.7 322,-0.1 -1,-0.4 -0.060 79.1 -48.8 117.0 152.5 7.5 -15.6 1.6 18 19 A E B -I 341 0B 75 12,-2.3 323,-0.3 323,-0.2 10,-0.1 -0.039 56.5-127.9 -51.6 137.3 8.5 -19.2 2.3 19 20 A A > - 0 0 6 321,-2.4 3,-1.8 1,-0.1 4,-0.2 -0.299 28.9 -98.6 -75.8 169.7 11.9 -19.6 3.9 20 21 A P T 3 S+ 0 0 83 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.819 126.3 43.3 -60.0 -31.5 14.7 -22.0 2.6 21 22 A D T 3> S+ 0 0 30 1,-0.2 4,-0.5 2,-0.1 3,-0.5 0.123 77.5 114.8 -98.9 23.0 13.6 -24.6 5.2 22 23 A A T X4> + 0 0 1 -3,-1.8 5,-2.6 1,-0.2 3,-1.3 0.838 67.4 64.0 -65.8 -32.0 9.9 -24.2 4.7 23 24 A E G >45S+ 0 0 140 -3,-0.3 3,-2.0 1,-0.3 -1,-0.2 0.932 97.2 55.6 -59.3 -45.5 9.5 -27.7 3.3 24 25 A Q G 345S+ 0 0 155 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.705 109.5 48.5 -59.9 -19.8 10.6 -29.3 6.7 25 26 A F G <<5S- 0 0 38 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.286 119.4-107.1-102.7 9.4 7.8 -27.3 8.4 26 27 A G T < 5S+ 0 0 57 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.756 86.6 121.1 73.2 25.2 5.1 -28.3 6.0 27 28 A D > < + 0 0 4 -5,-2.6 3,-2.0 -6,-0.1 -4,-0.2 0.077 21.7 144.2-116.7 18.3 5.1 -24.8 4.5 28 29 A L T 3 S+ 0 0 95 -6,-0.3 -7,-0.0 1,-0.3 -9,-0.0 -0.367 75.6 23.8 -52.3 140.2 5.9 -25.0 0.8 29 30 A G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 304,-0.1 2,-0.1 0.302 87.5 145.6 86.1 -9.6 4.0 -22.4 -1.1 30 31 A S < + 0 0 2 -3,-2.0 -12,-2.3 310,-0.1 -1,-0.3 -0.353 10.3 154.4 -71.7 143.4 3.6 -20.1 1.9 31 32 A D > - 0 0 16 -14,-0.3 4,-2.1 1,-0.1 5,-0.3 -0.578 15.8-175.6-164.6 97.5 3.6 -16.3 1.3 32 33 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.980 85.6 29.7 -66.2 -64.7 1.8 -14.1 3.8 33 34 A I H > S+ 0 0 3 -18,-2.4 4,-2.8 1,-0.2 5,-0.2 0.941 121.6 53.6 -65.6 -40.7 2.0 -10.6 2.3 34 35 A G H > S+ 0 0 2 -19,-0.2 4,-2.3 1,-0.2 26,-0.3 0.884 110.3 44.0 -59.9 -45.9 2.1 -11.9 -1.3 35 36 A H H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.863 112.1 53.0 -73.9 -32.6 -1.0 -14.0 -1.1 36 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.934 109.0 50.8 -57.7 -50.0 -2.9 -11.2 0.7 37 38 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 4,-0.5 0.894 110.1 49.7 -57.8 -40.4 -1.9 -8.8 -2.1 38 39 A E H ><5S+ 0 0 116 -4,-2.3 3,-1.2 -5,-0.2 -1,-0.2 0.921 111.3 48.9 -61.2 -45.9 -3.2 -11.3 -4.7 39 40 A H H 3<5S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.882 112.6 47.4 -62.0 -38.9 -6.5 -11.6 -2.8 40 41 A M T 3<5S- 0 0 34 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.545 106.7-126.3 -75.7 -11.5 -6.9 -7.9 -2.5 41 42 A N T < 5S+ 0 0 116 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.876 94.0 6.6 56.1 37.9 -6.0 -7.4 -6.2 42 43 A G S + 0 0 5 -2,-0.8 4,-2.6 16,-0.3 5,-0.2 -0.622 15.4 166.0-128.0 66.3 0.4 0.1 2.0 46 47 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.818 74.1 50.6 -60.8 -31.4 1.8 3.3 0.6 47 48 A N H > S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 6,-0.1 0.924 112.2 46.5 -72.3 -42.5 3.8 4.3 3.7 48 49 A M H >>S+ 0 0 3 1,-0.2 5,-2.5 2,-0.2 4,-1.1 0.878 111.5 53.1 -63.2 -39.7 5.5 0.9 3.9 49 50 A V H ><5S+ 0 0 15 -4,-2.6 3,-0.8 3,-0.2 6,-0.2 0.930 107.0 51.3 -62.7 -43.4 6.2 1.1 0.2 50 51 A K H 3<5S+ 0 0 106 -4,-2.3 19,-2.9 1,-0.3 20,-0.2 0.854 106.1 55.3 -65.7 -29.6 7.9 4.5 0.6 51 52 A L H 3<5S- 0 0 2 -4,-1.9 19,-1.3 17,-0.2 -1,-0.3 0.788 131.7 -92.8 -61.5 -30.8 10.0 3.0 3.3 52 53 A G T XX5S+ 0 0 0 -4,-1.1 4,-1.0 -3,-0.8 3,-0.8 0.471 79.6 137.2 125.8 12.1 11.1 0.3 0.9 53 54 A L H >> -J 62 0C 23 3,-2.2 3,-2.7 -2,-0.4 2,-0.3 -0.830 50.5 -56.4-141.1 171.5 4.0 -7.9 -4.9 60 61 A K T 3 S- 0 0 100 -26,-0.3 -17,-2.3 1,-0.3 -18,-0.3 -0.370 128.2 -1.5 -66.1 120.8 0.6 -6.9 -6.2 61 62 A G T 3 S+ 0 0 50 -19,-0.3 2,-0.6 -2,-0.3 -16,-0.3 0.368 115.8 97.7 80.9 -2.6 0.1 -3.2 -5.3 62 63 A I B < +J 59 0C 1 -3,-2.7 -3,-2.2 -18,-0.1 2,-0.2 -0.883 55.2 169.7-122.4 96.3 3.6 -3.2 -3.6 63 64 A S - 0 0 62 -2,-0.6 -9,-0.5 -5,-0.2 -8,-0.3 -0.649 36.1 -90.3-114.0 163.8 6.2 -1.8 -6.0 64 65 A K - 0 0 131 -10,-0.4 2,-0.4 -2,-0.2 -1,-0.1 -0.240 33.3-148.9 -63.7 151.4 9.8 -0.7 -5.9 65 66 A V - 0 0 36 -16,-0.1 -1,-0.0 1,-0.1 -10,-0.0 -0.989 13.1-137.8-120.3 144.3 10.7 2.9 -5.2 66 67 A E S S+ 0 0 207 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.859 99.2 26.6 -62.5 -37.6 13.7 4.7 -6.6 67 68 A K S S- 0 0 132 -3,-0.1 -1,-0.3 290,-0.0 290,-0.1 -0.734 80.4-162.9-132.5 79.2 14.6 6.4 -3.3 68 69 A P - 0 0 5 0, 0.0 288,-2.3 0, 0.0 -17,-0.2 -0.327 23.4-128.7 -62.1 147.0 13.3 4.6 -0.3 69 70 A L S S+ 0 0 60 -19,-2.9 280,-0.3 286,-0.2 286,-0.2 0.866 85.1 13.3 -62.9 -32.9 13.1 6.5 2.9 70 71 A G S S- 0 0 0 -19,-1.3 286,-0.5 -20,-0.2 278,-0.2 -0.591 91.5 -73.3-133.6-178.0 15.0 3.8 4.8 71 72 A Y E -C 347 0A 30 276,-2.7 276,-2.3 285,-0.2 2,-0.3 -0.509 48.5-166.6 -79.2 151.8 17.1 0.8 4.6 72 73 A Y E +Cd 346 358A 32 285,-1.5 287,-2.6 274,-0.2 2,-0.3 -0.995 23.9 121.3-149.2 142.6 15.5 -2.5 3.6 73 74 A T E -C 345 0A 11 272,-1.9 272,-2.4 -2,-0.3 2,-0.3 -0.922 45.4-103.8-168.5-168.1 16.1 -6.3 3.5 74 75 A K E -C 344 0A 47 -2,-0.3 288,-2.6 270,-0.2 2,-0.4 -0.871 24.0-134.0-128.8 168.2 14.6 -9.5 4.8 75 76 A M E -Ce 343 362A 0 268,-2.6 268,-2.0 -2,-0.3 2,-0.4 -0.973 5.8-143.7-125.6 144.8 15.6 -11.8 7.6 76 77 A Q - 0 0 41 286,-2.8 2,-0.4 -2,-0.4 289,-0.2 -0.827 22.2-122.8-103.9 135.1 15.9 -15.6 7.9 77 78 A E - 0 0 3 -2,-0.4 287,-0.1 264,-0.2 10,-0.0 -0.686 23.3-177.6 -77.9 127.4 15.0 -17.5 11.0 78 79 A K + 0 0 104 -2,-0.4 -1,-0.1 0, 0.0 286,-0.1 0.794 55.0 92.8 -88.4 -35.1 17.8 -19.7 12.5 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 1,-0.1 -2,-0.1 -0.146 81.1-120.7 -64.8 159.7 15.8 -21.2 15.4 80 81 A I S S+ 0 0 68 16,-2.6 2,-0.2 18,-0.1 17,-0.1 0.694 87.5 69.9 -74.9 -20.7 14.0 -24.6 15.1 81 82 A G - 0 0 4 15,-0.4 15,-0.1 17,-0.2 -2,-0.0 -0.536 57.7-157.8 -98.6 159.3 10.5 -23.2 16.0 82 83 A K + 0 0 29 -2,-0.2 257,-0.1 258,-0.1 246,-0.1 0.068 58.5 117.0-119.2 22.9 8.1 -21.0 14.0 83 84 A D S > S- 0 0 37 1,-0.1 4,-2.3 255,-0.1 5,-0.2 -0.321 78.7-106.9 -87.5 170.0 6.1 -19.9 17.1 84 85 A X H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.913 117.2 51.5 -68.4 -39.4 5.8 -16.3 18.5 85 86 A M H > S+ 0 0 29 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.960 111.3 46.2 -64.1 -50.6 8.0 -17.0 21.5 86 87 A T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.925 113.2 49.5 -55.2 -50.2 10.9 -18.4 19.4 87 88 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.903 115.0 43.5 -60.3 -42.9 10.7 -15.6 16.8 88 89 A H H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.898 112.1 52.4 -71.4 -39.7 10.8 -12.9 19.5 89 90 A W H <>S+ 0 0 0 -4,-3.0 5,-2.1 -5,-0.2 -2,-0.2 0.907 111.2 48.4 -59.9 -41.0 13.5 -14.6 21.6 90 91 A E H ><5S+ 0 0 0 -4,-2.6 3,-2.0 -5,-0.3 279,-0.2 0.923 105.0 57.9 -66.0 -43.4 15.6 -14.8 18.4 91 92 A I H 3<5S+ 0 0 0 -4,-2.2 278,-1.8 1,-0.3 -1,-0.2 0.867 108.0 50.4 -51.5 -38.0 15.0 -11.1 17.6 92 93 A M T 3<5S- 0 0 0 -4,-1.6 131,-2.3 276,-0.1 -1,-0.3 0.203 134.5 -80.0 -99.8 25.9 16.5 -10.3 21.1 93 94 A G T < 5S+ 0 0 3 -3,-2.0 290,-1.0 1,-0.3 289,-0.3 0.422 87.2 116.5 108.9 3.5 19.6 -12.3 20.7 94 95 A L < - 0 0 15 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.350 48.1-144.8 -99.1 170.2 18.9 -16.0 21.3 95 96 A Y - 0 0 82 124,-0.3 2,-0.6 -2,-0.1 -9,-0.0 -0.978 16.1-161.0-135.7 119.8 19.0 -19.2 19.3 96 97 A I + 0 0 1 -2,-0.4 -16,-2.6 1,-0.1 -15,-0.4 -0.930 13.8 177.3-111.7 117.4 16.4 -21.8 20.2 97 98 A D + 0 0 104 -2,-0.6 -1,-0.1 -18,-0.2 -18,-0.0 0.415 62.4 61.4-109.4 8.8 17.1 -25.4 19.1 98 99 A T S S- 0 0 31 -17,-0.0 -17,-0.2 0, 0.0 2,-0.1 -0.973 77.2-127.5-128.5 144.6 14.0 -27.2 20.5 99 100 A P - 0 0 56 0, 0.0 2,-0.4 0, 0.0 90,-0.2 -0.435 22.7-110.6 -86.3 157.0 10.4 -26.6 19.6 100 101 A F - 0 0 21 -2,-0.1 90,-0.2 88,-0.1 2,-0.2 -0.733 42.0-121.8 -81.2 136.0 7.5 -25.8 21.9 101 102 A Q - 0 0 63 88,-3.6 90,-0.3 -2,-0.4 2,-0.3 -0.575 22.2-160.5 -84.5 151.1 5.1 -28.8 21.9 102 103 A V - 0 0 76 -2,-0.2 54,-0.1 54,-0.1 52,-0.1 -0.911 4.8-155.9-124.4 156.7 1.4 -28.8 21.0 103 104 A F > + 0 0 16 50,-0.4 3,-2.0 52,-0.4 52,-0.1 -0.535 22.7 162.9-138.0 70.4 -1.1 -31.4 22.0 104 105 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.654 86.9 43.0 -68.1 -20.1 -4.2 -31.6 19.6 105 106 A E T 3 S- 0 0 187 1,-0.5 -2,-0.0 22,-0.1 2,-0.0 -0.008 126.3 -95.9-106.7 25.5 -5.1 -35.0 20.9 106 107 A G < - 0 0 9 -3,-2.0 -1,-0.5 2,-0.0 21,-0.1 -0.103 57.6 -47.3 85.5 170.3 -4.5 -34.1 24.6 107 108 A F - 0 0 6 1,-0.1 2,-0.1 -3,-0.1 81,-0.0 -0.424 67.7 -93.0 -76.4 153.1 -1.4 -34.6 26.7 108 109 A P >> - 0 0 41 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.391 31.9-119.8 -65.6 147.3 0.3 -38.0 26.9 109 110 A K H 3> S+ 0 0 130 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.806 110.8 60.5 -58.3 -34.7 -0.8 -40.4 29.7 110 111 A E H 3> S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.866 105.8 46.7 -64.9 -35.4 2.7 -40.5 31.2 111 112 A L H <> S+ 0 0 4 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.927 114.5 46.5 -69.3 -48.8 2.7 -36.7 31.8 112 113 A L H X S+ 0 0 14 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.888 109.9 53.9 -63.8 -34.5 -0.8 -36.8 33.3 113 114 A D H X S+ 0 0 61 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.931 109.1 49.7 -64.1 -40.4 0.0 -39.8 35.5 114 115 A E H X S+ 0 0 61 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.929 111.5 48.1 -62.1 -44.8 3.1 -37.9 36.8 115 116 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 6,-0.3 0.922 112.2 49.0 -66.8 -40.7 0.9 -34.8 37.6 116 117 A E H X S+ 0 0 40 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.925 112.1 49.0 -61.2 -44.4 -1.7 -37.0 39.3 117 118 A E H < S+ 0 0 152 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.935 114.5 44.9 -59.4 -44.5 1.0 -38.7 41.4 118 119 A K H < S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.775 122.8 34.6 -78.0 -27.7 2.7 -35.4 42.4 119 120 A T H < S- 0 0 24 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.680 94.2-133.1 -96.4 -22.9 -0.6 -33.6 43.3 120 121 A G S < S+ 0 0 69 -4,-2.1 2,-0.4 -5,-0.3 -3,-0.1 0.582 70.3 111.6 74.1 11.9 -2.7 -36.4 44.6 121 122 A R - 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