==== 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 4LRE . COMPND 2 MOLECULE: PHOSPHOPENTOMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR W.A.BIRMINGHAM,C.A.STARBIRD,T.D.PANOSIAN,D.P.NANNEMANN,T.M.I . 1172 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 807 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 7.5 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 . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 82 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.9 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 1 3 5 4 2 1 5 4 1 3 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 3 0 6 3 6 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 . 9 0 8 4 3 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 3 0 0 3 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 0 114 0, 0.0 3,-0.1 0, 0.0 375,-0.1 0.000 360.0 360.0 360.0 140.7 -21.3 13.7 -2.2 2 3 A K + 0 0 90 373,-0.5 2,-0.4 1,-0.2 374,-0.1 0.918 360.0 30.7 -67.8 -45.4 -20.6 11.9 -5.4 3 4 A Y - 0 0 7 372,-0.2 -1,-0.2 1,-0.1 316,-0.2 -0.957 63.5-164.8-115.5 135.2 -18.1 9.7 -3.5 4 5 A K S S+ 0 0 62 314,-2.3 271,-1.7 -2,-0.4 2,-0.4 0.866 82.5 22.3 -80.2 -40.1 -18.4 8.9 0.1 5 6 A R E -ab 275 319A 7 313,-1.5 315,-2.2 269,-0.2 2,-0.4 -0.982 64.0-163.6-129.6 141.1 -14.8 7.7 0.5 6 7 A I E -ab 276 320A 0 269,-2.1 271,-2.9 -2,-0.4 2,-0.6 -0.996 6.5-158.5-122.8 127.7 -11.7 8.5 -1.6 7 8 A F E -ab 277 321A 1 313,-3.1 315,-3.5 -2,-0.4 2,-0.6 -0.930 11.1-168.9-106.2 111.8 -8.6 6.3 -1.3 8 9 A L E -ab 278 322A 1 269,-3.3 271,-3.1 -2,-0.6 2,-0.5 -0.919 1.8-170.4-107.2 122.3 -5.6 8.2 -2.5 9 10 A V E -ab 279 323A 3 313,-3.5 315,-2.8 -2,-0.6 2,-0.7 -0.957 7.8-163.6-117.7 119.2 -2.4 6.2 -2.9 10 11 A V E -ab 280 324A 0 269,-3.3 271,-3.1 -2,-0.5 2,-1.1 -0.904 7.8-157.3 -97.4 113.6 1.0 7.8 -3.6 11 12 A M E > -a 281 0A 2 313,-3.1 3,-1.8 -2,-0.7 315,-0.4 -0.835 35.5-125.0 -84.0 99.3 3.5 5.4 -4.9 12 13 A D T 3 S- 0 0 0 269,-1.6 273,-0.2 -2,-1.1 3,-0.1 -0.314 80.1 -5.9 -61.7 123.6 6.4 7.5 -3.8 13 14 A S T 3 S+ 0 0 0 1,-0.2 2,-2.3 314,-0.1 316,-1.0 0.441 85.4 142.7 78.2 4.2 8.9 8.3 -6.6 14 15 A V < - 0 0 2 -3,-1.8 314,-0.2 314,-0.2 -1,-0.2 -0.440 30.6-180.0 -81.9 74.2 7.1 6.2 -9.2 15 16 A G - 0 0 0 -2,-2.3 18,-2.4 328,-0.1 328,-0.2 -0.329 28.6-150.7 -75.6 154.7 7.7 8.5 -12.2 16 17 A I - 0 0 1 326,-2.7 327,-0.1 1,-0.4 -1,-0.1 -0.073 66.1 -44.3-118.2 34.9 6.5 7.9 -15.7 17 18 A G S S- 0 0 10 325,-0.3 325,-2.6 2,-0.0 -1,-0.4 -0.041 80.0 -49.4 116.4 144.6 9.1 9.7 -17.7 18 19 A E B -I 341 0B 76 12,-2.3 323,-0.3 323,-0.3 10,-0.1 -0.004 55.7-131.1 -44.3 134.4 11.0 13.0 -17.9 19 20 A A > - 0 0 5 321,-2.1 3,-1.8 8,-0.1 4,-0.2 -0.355 28.5 -96.5 -85.7 169.7 8.9 16.2 -17.6 20 21 A P T 3 S+ 0 0 80 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.780 125.8 44.1 -58.2 -32.0 9.0 19.2 -19.9 21 22 A D T >> S+ 0 0 30 1,-0.2 3,-0.8 2,-0.1 4,-0.5 0.122 77.7 117.6 -99.6 21.2 11.3 21.1 -17.5 22 23 A A G X4> + 0 0 0 -3,-1.8 5,-2.5 1,-0.2 3,-1.4 0.834 66.7 63.8 -53.5 -36.4 13.6 18.1 -16.9 23 24 A E G >45S+ 0 0 144 -3,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.885 92.4 61.3 -60.7 -40.3 16.6 19.8 -18.4 24 25 A Q G <45S+ 0 0 158 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.728 110.5 42.2 -55.2 -24.2 16.6 22.5 -15.7 25 26 A F G <<5S- 0 0 54 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.358 115.8-109.1-105.2 2.1 17.2 19.8 -13.1 26 27 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.829 83.7 125.7 67.7 35.9 19.7 17.7 -15.0 27 28 A D > < + 0 0 3 -5,-2.5 3,-1.8 -6,-0.1 -4,-0.2 0.147 21.4 140.0-116.6 21.1 17.1 15.1 -15.4 28 29 A L T 3 S+ 0 0 94 -6,-0.3 3,-0.1 1,-0.3 -7,-0.0 -0.374 73.5 23.8 -61.5 141.9 17.0 14.5 -19.2 29 30 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.3 304,-0.0 2,-0.1 0.374 88.5 143.7 83.8 -4.0 16.6 10.9 -20.1 30 31 A S < + 0 0 1 -3,-1.8 -12,-2.3 310,-0.1 -1,-0.3 -0.413 12.8 157.1 -76.5 147.2 15.0 10.0 -16.7 31 32 A D > - 0 0 20 -14,-0.3 4,-2.6 -3,-0.1 5,-0.3 -0.517 17.2-173.1-169.4 87.6 12.2 7.4 -16.7 32 33 A T H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.962 87.1 32.4 -60.5 -61.9 11.5 5.6 -13.5 33 34 A I H > S+ 0 0 4 -18,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.915 119.7 53.9 -62.0 -43.6 9.0 3.0 -14.6 34 35 A G H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 26,-0.2 0.875 109.5 44.8 -60.2 -45.1 10.5 2.6 -18.1 35 36 A H H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.868 114.5 50.2 -69.0 -36.3 14.0 1.9 -17.0 36 37 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.916 109.2 51.0 -65.1 -42.6 12.8 -0.5 -14.3 37 38 A A H <>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 4,-0.3 0.915 112.4 47.6 -62.1 -39.2 10.6 -2.3 -16.9 38 39 A E H ><5S+ 0 0 128 -4,-2.0 3,-1.1 3,-0.2 -2,-0.2 0.915 111.5 49.5 -65.8 -45.9 13.7 -2.6 -19.2 39 40 A H H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.858 112.2 47.9 -59.0 -39.6 15.9 -3.9 -16.4 40 41 A M T 3<5S- 0 0 36 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.478 109.9-123.3 -79.8 -5.0 13.3 -6.5 -15.4 41 42 A N T < 5S- 0 0 123 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.890 90.0 -4.9 57.7 38.5 12.9 -7.5 -19.1 42 43 A G S + 0 0 4 -2,-0.9 4,-2.4 16,-0.3 5,-0.2 -0.461 13.2 159.3-133.2 60.9 1.9 -5.4 -13.1 46 47 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.797 73.5 50.1 -60.6 -34.1 -1.3 -7.0 -14.6 47 48 A N H > S+ 0 0 19 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.899 111.2 46.3 -74.0 -41.5 -3.6 -5.1 -12.2 48 49 A M H >>S+ 0 0 3 2,-0.2 5,-2.3 1,-0.2 4,-1.1 0.890 112.7 54.1 -62.1 -38.3 -2.1 -1.7 -12.8 49 50 A V H ><5S+ 0 0 20 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.929 105.6 51.6 -60.0 -44.8 -2.4 -2.7 -16.5 50 51 A K H 3<5S+ 0 0 118 -4,-2.1 19,-3.2 1,-0.3 -1,-0.2 0.800 106.1 54.6 -62.9 -29.7 -6.0 -3.5 -16.1 51 52 A L H 3<5S- 0 0 2 -4,-1.4 19,-1.1 17,-0.2 -1,-0.3 0.749 129.7 -97.4 -73.6 -24.6 -6.6 -0.0 -14.5 52 53 A G T XX5S+ 0 0 0 -4,-1.1 4,-1.2 -3,-0.7 3,-0.7 0.582 75.9 141.7 117.8 19.0 -5.0 1.5 -17.6 53 54 A L H >> -J 62 0C 19 3,-2.1 3,-2.8 -2,-0.3 2,-0.1 -0.903 50.7 -56.1-146.4 165.3 6.5 0.2 -21.5 60 61 A K T 3 S- 0 0 108 -2,-0.3 -17,-2.2 1,-0.3 -18,-0.2 -0.255 127.6 -1.0 -57.5 118.3 8.2 -3.2 -21.5 61 62 A G T 3 S+ 0 0 49 -19,-0.3 2,-0.7 1,-0.1 -16,-0.3 0.259 114.9 98.7 85.8 -10.7 5.6 -5.7 -20.1 62 63 A I B < +J 59 0C 0 -3,-2.8 -3,-2.1 -18,-0.1 2,-0.2 -0.846 53.3 175.0-116.8 99.0 3.1 -3.0 -19.6 63 64 A S - 0 0 69 -2,-0.7 -9,-0.6 -5,-0.2 -8,-0.3 -0.666 32.9-105.2-106.1 154.8 0.6 -2.8 -22.5 64 65 A K - 0 0 124 -10,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.341 33.4-145.1 -68.1 156.1 -2.5 -0.8 -23.2 65 66 A V - 0 0 42 -16,-0.2 -1,-0.0 1,-0.1 -15,-0.0 -0.924 15.6-126.9-125.5 153.5 -5.9 -2.5 -22.8 66 67 A E S S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.869 103.3 26.9 -67.2 -40.1 -9.1 -2.0 -24.8 67 68 A K S S- 0 0 150 -3,-0.0 -1,-0.3 288,-0.0 290,-0.1 -0.706 80.9-158.1-129.7 80.3 -11.3 -1.3 -21.8 68 69 A P - 0 0 5 0, 0.0 288,-2.0 0, 0.0 -17,-0.2 -0.262 21.9-127.4 -59.1 142.1 -9.4 0.1 -18.8 69 70 A L S S+ 0 0 54 -19,-3.2 280,-0.3 286,-0.2 286,-0.2 0.861 86.0 3.0 -53.5 -39.5 -11.0 -0.3 -15.4 70 71 A G S S- 0 0 0 -19,-1.1 286,-0.6 -20,-0.2 278,-0.2 -0.608 92.0 -67.1-136.1-170.3 -10.7 3.4 -14.7 71 72 A Y E -C 347 0A 38 276,-2.8 276,-2.6 285,-0.2 2,-0.3 -0.557 49.2-170.2 -86.5 157.8 -9.7 6.8 -16.1 72 73 A Y E +Cd 346 358A 26 285,-1.6 287,-2.5 274,-0.2 2,-0.3 -0.991 22.6 124.7-150.7 148.6 -6.1 7.5 -16.8 73 74 A T E -C 345 0A 9 272,-1.8 272,-2.3 -2,-0.3 2,-0.3 -0.921 46.7 -99.2-172.5-167.0 -3.6 10.3 -17.7 74 75 A K E -C 344 0A 50 -2,-0.3 288,-2.5 270,-0.2 2,-0.4 -0.832 25.8-131.3-125.8 173.4 -0.4 11.7 -16.3 75 76 A M E -Ce 343 362A 0 268,-2.4 268,-1.8 -2,-0.3 2,-0.4 -0.962 6.9-145.8-128.8 143.2 0.3 14.8 -14.2 76 77 A Q - 0 0 49 286,-3.1 2,-0.5 -2,-0.4 289,-0.1 -0.876 21.5-125.3-108.2 139.0 2.8 17.6 -14.6 77 78 A E - 0 0 5 -2,-0.4 287,-0.1 287,-0.2 10,-0.1 -0.728 22.8-177.2 -86.4 127.9 4.5 19.2 -11.6 78 79 A K + 0 0 109 -2,-0.5 -1,-0.1 0, 0.0 286,-0.1 0.817 54.2 91.4 -92.7 -36.7 4.1 23.0 -11.4 79 80 A S S S- 0 0 0 15,-0.1 18,-0.2 7,-0.1 -2,-0.0 -0.155 82.3-116.7 -61.0 158.5 6.1 23.7 -8.2 80 81 A T S S+ 0 0 53 16,-2.0 17,-0.1 2,-0.0 -1,-0.1 0.893 88.0 63.0 -66.0 -45.1 9.8 24.4 -8.4 81 82 A G - 0 0 3 15,-0.4 15,-0.1 1,-0.1 20,-0.1 -0.246 61.1-150.5 -85.0 170.2 11.2 21.5 -6.4 82 83 A K + 0 0 19 18,-0.2 257,-0.1 4,-0.1 2,-0.1 0.066 58.6 117.1-125.2 21.3 11.1 17.7 -7.0 83 84 A D S > S- 0 0 17 17,-0.1 4,-2.4 255,-0.1 5,-0.2 -0.383 77.8-104.4 -85.9 165.9 11.2 16.6 -3.4 84 85 A X H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.906 118.0 50.9 -55.1 -48.6 8.5 14.6 -1.4 85 86 A M H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.951 111.3 47.2 -60.3 -48.2 7.2 17.6 0.5 86 87 A T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 113.1 49.0 -55.4 -50.3 6.8 19.7 -2.6 87 88 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 115.3 42.9 -58.5 -47.8 5.0 16.9 -4.5 88 89 A H H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.886 112.4 52.1 -67.3 -42.1 2.6 16.2 -1.7 89 90 A W H <>S+ 0 0 0 -4,-2.8 5,-2.1 -5,-0.3 -2,-0.2 0.927 112.5 47.1 -60.8 -41.5 1.9 19.8 -0.8 90 91 A E H ><5S+ 0 0 0 -4,-2.5 3,-2.1 -5,-0.2 279,-0.3 0.932 106.3 57.6 -65.8 -43.7 1.1 20.4 -4.5 91 92 A I H 3<5S+ 0 0 0 -4,-2.5 278,-1.8 1,-0.3 -1,-0.2 0.879 106.5 50.9 -50.3 -42.1 -1.1 17.3 -4.6 92 93 A M T 3<5S- 0 0 0 -4,-1.8 131,-2.1 276,-0.1 -1,-0.3 0.006 134.9 -81.6 -93.4 26.4 -3.2 18.8 -1.8 93 94 A G T < 5S+ 0 0 3 -3,-2.1 290,-0.9 1,-0.3 289,-0.3 0.518 87.6 120.2 102.7 8.3 -3.7 22.1 -3.5 94 95 A L < - 0 0 11 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.493 48.9-143.8 -99.7 167.2 -0.6 24.2 -2.9 95 96 A Y - 0 0 88 124,-0.3 2,-0.6 -2,-0.2 -9,-0.0 -0.991 16.9-160.2-126.4 127.4 1.9 25.8 -5.2 96 97 A I + 0 0 1 -2,-0.4 -16,-2.0 1,-0.2 -15,-0.4 -0.901 17.2 174.5-116.1 110.7 5.5 25.9 -3.8 97 98 A D + 0 0 98 -2,-0.6 -1,-0.2 -18,-0.2 0, 0.0 0.827 66.8 68.0 -79.5 -35.3 8.0 28.3 -5.3 98 99 A T S S- 0 0 37 -18,-0.1 -1,-0.1 -17,-0.0 -17,-0.1 -0.800 77.3-143.9 -96.3 116.3 10.9 27.6 -2.9 99 100 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 90,-0.2 -0.314 15.7-118.2 -71.8 155.5 12.5 24.1 -3.4 100 101 A F - 0 0 13 88,-0.1 2,-0.3 -2,-0.0 -18,-0.2 -0.722 36.5-127.0 -87.0 148.3 13.8 22.1 -0.4 101 102 A Q - 0 0 73 88,-3.3 90,-0.3 -2,-0.3 2,-0.3 -0.668 14.2-153.2-103.2 153.5 17.6 21.4 -0.7 102 103 A V - 0 0 45 -2,-0.3 54,-0.1 54,-0.1 3,-0.1 -0.872 7.6-150.0-117.6 155.0 19.7 18.3 -0.6 103 104 A F > + 0 0 14 52,-0.4 3,-2.0 50,-0.4 49,-0.1 -0.618 24.4 164.7-131.1 75.5 23.3 18.2 0.5 104 105 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.690 89.3 40.7 -68.6 -15.2 25.4 15.5 -1.2 105 106 A E T 3 S- 0 0 187 1,-0.5 -2,-0.0 -3,-0.1 -3,-0.0 -0.007 123.5-103.7-113.9 28.1 28.6 17.2 -0.1 106 107 A G < - 0 0 10 -3,-2.0 -1,-0.5 2,-0.0 21,-0.1 -0.168 57.1 -39.5 74.6-175.8 27.2 18.1 3.3 107 108 A F - 0 0 8 1,-0.1 81,-0.1 -3,-0.1 -4,-0.0 -0.491 65.5 -92.7 -91.2 150.9 26.0 21.5 4.6 108 109 A P >> - 0 0 40 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.319 30.8-122.9 -62.1 142.8 27.5 24.9 3.9 109 110 A K H 3> S+ 0 0 137 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.834 109.5 62.7 -53.1 -37.8 30.1 26.2 6.4 110 111 A E H 3> S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 104.8 44.6 -57.1 -46.4 28.0 29.3 7.0 111 112 A L H <> S+ 0 0 4 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.926 115.6 46.5 -63.3 -48.2 25.0 27.2 8.4 112 113 A L H X S+ 0 0 15 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.873 109.6 55.2 -65.4 -37.3 27.2 25.0 10.6 113 114 A D H X S+ 0 0 68 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.915 109.6 46.8 -60.6 -43.5 29.1 28.1 11.9 114 115 A E H X S+ 0 0 81 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.891 110.4 51.5 -67.8 -37.5 25.8 29.7 13.0 115 116 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 2,-0.2 6,-0.2 0.924 112.3 47.1 -63.1 -43.1 24.6 26.5 14.7 116 117 A E H X S+ 0 0 69 -4,-2.4 4,-2.9 1,-0.2 5,-0.5 0.903 111.2 51.5 -60.2 -44.3 27.9 26.3 16.6 117 118 A E H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.796 115.0 42.2 -65.2 -32.1 27.7 29.9 17.5 118 119 A K H < S+ 0 0 118 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.763 124.1 34.7 -87.5 -26.1 24.1 29.4 18.9 119 120 A T H < S- 0 0 31 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.757 90.7-132.0-100.7 -30.1 24.8 26.1 20.7 120 121 A G < + 0 0 72 -4,-2.9 2,-0.3 1,-0.3 -3,-0.1 0.738 70.0 112.9 81.7 23.0 28.3 26.3 22.0 121 122 A R - 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