==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-MAY-04 1T8P . COMPND 2 MOLECULE: BISPHOSPHOGLYCERATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.WANG,Z.WEI,Q.BIAN,Z.CHENG,M.WAN,L.LIU,W.GONG . 498 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 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 . 25 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.0 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 4 3 0 1 1 2 1 1 2 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 S 0 0 84 0, 0.0 221,-0.2 0, 0.0 220,-0.1 0.000 360.0 360.0 360.0 129.8 -1.0 22.3 12.2 2 3 A K + 0 0 133 219,-0.2 2,-0.3 218,-0.1 220,-0.2 0.780 360.0 29.9 -65.2 -25.2 -4.3 21.2 13.7 3 4 A Y E -A 221 0A 34 218,-2.3 218,-2.0 2,-0.0 2,-0.4 -0.950 61.5-160.4-136.9 154.2 -2.7 18.0 15.0 4 5 A K E +A 220 0A 45 -2,-0.3 178,-0.5 216,-0.2 2,-0.3 -0.998 12.4 177.0-136.8 132.7 0.7 16.8 16.3 5 6 A L E -A 219 0A 1 214,-2.4 214,-2.5 -2,-0.4 2,-0.4 -0.982 16.5-144.1-134.8 145.9 1.9 13.1 16.5 6 7 A I E +Ab 218 183A 1 176,-2.2 178,-1.6 -2,-0.3 2,-0.3 -0.880 21.0 170.6-112.9 144.2 5.2 11.6 17.6 7 8 A M E +Ab 217 184A 2 210,-1.3 210,-3.4 -2,-0.4 2,-0.3 -0.965 2.3 159.4-145.5 158.1 6.8 8.5 16.2 8 9 A L E - b 0 185A 2 176,-1.8 178,-2.7 -2,-0.3 2,-0.4 -0.967 29.7-122.2-167.2 170.6 10.2 6.8 16.4 9 10 A R E - b 0 186A 22 203,-0.4 205,-2.4 206,-0.3 206,-0.3 -0.970 31.2-110.7-126.5 143.8 11.9 3.5 15.9 10 11 A H - 0 0 3 176,-1.3 2,-0.4 -2,-0.4 205,-0.1 -0.099 47.6 -86.2 -60.6 168.4 13.8 1.4 18.5 11 12 A G - 0 0 3 22,-0.4 19,-0.3 202,-0.2 22,-0.1 -0.687 45.8-117.0 -83.7 131.2 17.6 1.1 18.2 12 13 A E - 0 0 36 -2,-0.4 18,-0.1 1,-0.1 21,-0.1 -0.145 35.5-146.9 -60.8 161.9 18.7 -1.7 15.9 13 14 A G > - 0 0 19 19,-0.1 4,-1.3 16,-0.1 -1,-0.1 0.024 36.9 -50.9-111.1-145.8 20.8 -4.5 17.5 14 15 A A H > S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.872 126.5 52.7 -62.5 -43.9 23.5 -7.1 16.9 15 16 A W H 4>S+ 0 0 34 1,-0.2 5,-3.1 2,-0.2 -1,-0.2 0.893 104.3 55.6 -62.0 -42.7 22.1 -8.5 13.7 16 17 A N H >45S+ 0 0 67 3,-0.2 3,-1.7 1,-0.2 -1,-0.2 0.899 104.4 55.2 -57.8 -40.5 21.8 -5.1 12.1 17 18 A K H 3<5S+ 0 0 142 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.884 107.2 48.2 -58.0 -43.4 25.5 -4.6 12.7 18 19 A E T 3<5S- 0 0 103 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.254 123.7-110.0 -82.0 12.2 26.3 -7.8 10.9 19 20 A N T < 5S+ 0 0 110 -3,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.855 75.6 135.7 59.5 39.6 24.0 -6.6 8.1 20 21 A R < - 0 0 54 -5,-3.1 2,-0.7 78,-0.1 -1,-0.2 -0.825 55.8-121.0-112.9 152.9 21.4 -9.2 8.9 21 22 A F - 0 0 54 76,-0.6 75,-1.0 73,-0.4 3,-0.1 -0.846 16.5-170.1-103.0 113.1 17.7 -8.5 9.1 22 23 A C > + 0 0 12 -2,-0.7 3,-2.4 1,-0.2 -1,-0.2 0.909 33.3 156.7 -60.5 -41.4 16.0 -9.4 12.4 23 24 A S T 3 S- 0 0 2 1,-0.3 65,-0.3 -3,-0.1 -1,-0.2 -0.275 71.5 -9.6 53.3-125.1 12.7 -8.8 10.7 24 25 A W T 3 S+ 0 0 3 -3,-0.1 2,-0.3 63,-0.1 -1,-0.3 0.384 100.9 116.7 -85.2 2.0 9.9 -10.7 12.6 25 26 A V S < S- 0 0 3 -3,-2.4 2,-2.0 -4,-0.1 110,-0.1 -0.598 73.5-127.1 -68.5 128.6 12.3 -12.6 14.8 26 27 A D + 0 0 33 -2,-0.3 2,-0.2 108,-0.1 -1,-0.1 -0.364 43.8 167.3 -81.7 64.3 11.4 -11.3 18.3 27 28 A Q - 0 0 52 -2,-2.0 34,-0.4 1,-0.1 2,-0.1 -0.508 32.1-122.2 -79.2 144.1 14.8 -10.3 19.5 28 29 A K - 0 0 114 -2,-0.2 33,-0.1 1,-0.1 -1,-0.1 -0.470 32.7 -92.7 -84.0 156.0 15.1 -8.1 22.6 29 30 A L - 0 0 22 -2,-0.1 -1,-0.1 31,-0.1 2,-0.1 -0.384 40.8-136.3 -64.8 144.2 16.7 -4.7 22.7 30 31 A N > - 0 0 48 -19,-0.3 4,-1.9 -18,-0.1 5,-0.2 -0.248 37.7 -81.8 -89.3-174.7 20.4 -4.8 23.7 31 32 A S H > S+ 0 0 109 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.926 130.4 48.1 -55.2 -50.3 22.1 -2.3 26.1 32 33 A E H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.922 110.9 50.5 -58.5 -47.4 22.5 0.4 23.4 33 34 A G H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -22,-0.4 0.820 108.7 52.0 -61.7 -33.2 18.9 0.1 22.2 34 35 A M H X S+ 0 0 57 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.799 107.6 53.1 -72.8 -28.9 17.6 0.4 25.8 35 36 A E H X S+ 0 0 39 -4,-1.4 4,-3.0 -3,-0.3 5,-0.3 0.860 105.7 53.6 -71.8 -38.2 19.7 3.6 26.3 36 37 A E H X S+ 0 0 32 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.920 107.3 50.8 -61.6 -45.5 18.2 5.1 23.2 37 38 A A H X S+ 0 0 3 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.899 113.6 45.4 -60.1 -43.3 14.6 4.5 24.5 38 39 A R H X S+ 0 0 90 -4,-1.5 4,-2.6 2,-0.2 3,-0.5 0.976 113.4 47.1 -64.8 -56.8 15.5 6.1 27.8 39 40 A N H X S+ 0 0 98 -4,-3.0 4,-2.1 1,-0.3 -2,-0.2 0.846 111.7 53.9 -54.0 -34.8 17.3 9.2 26.3 40 41 A C H X S+ 0 0 3 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.3 0.884 108.3 48.4 -67.3 -39.4 14.4 9.5 23.9 41 42 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.5 -2,-0.2 0.890 111.2 50.3 -67.1 -39.2 12.0 9.6 26.9 42 43 A K H X S+ 0 0 111 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.864 109.1 52.4 -65.0 -37.4 14.2 12.2 28.6 43 44 A Q H < S+ 0 0 54 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.873 112.1 45.1 -65.6 -40.2 14.1 14.2 25.4 44 45 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 3,-0.6 0.874 112.0 50.9 -72.3 -40.5 10.3 14.1 25.3 45 46 A K H ><5S+ 0 0 125 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.912 107.1 55.4 -63.0 -39.9 10.0 14.8 29.0 46 47 A A T 3<5S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 109.5 46.8 -63.7 -21.6 12.3 17.8 28.4 47 48 A L T < 5S- 0 0 77 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.245 114.9-122.1-102.9 11.0 9.8 18.9 25.8 48 49 A N T < 5 - 0 0 132 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.811 43.3-179.9 51.1 41.0 6.9 18.3 28.2 49 50 A F < - 0 0 39 -5,-2.3 2,-0.5 1,-0.0 -1,-0.2 -0.537 13.2-165.7 -74.5 132.2 5.1 15.8 26.0 50 51 A E - 0 0 108 -2,-0.3 2,-0.2 132,-0.0 131,-0.2 -0.949 8.0-162.3-119.4 106.1 1.9 14.5 27.4 51 52 A F - 0 0 0 -2,-0.5 131,-0.2 1,-0.1 3,-0.1 -0.625 16.7-171.6 -90.4 150.2 0.7 11.4 25.5 52 53 A D S S+ 0 0 47 129,-3.0 2,-0.3 1,-0.4 130,-0.2 0.579 74.2 13.0-110.5 -18.9 -2.9 10.1 25.8 53 54 A L E -c 182 0A 8 128,-1.4 130,-1.3 25,-0.2 2,-0.4 -0.992 62.1-150.5-157.7 151.0 -2.4 6.9 23.9 54 55 A V E -cd 183 80A 0 25,-2.1 27,-2.5 -2,-0.3 2,-0.4 -0.990 4.8-163.7-131.1 138.6 0.4 4.7 22.7 55 56 A F E +cd 184 81A 0 128,-2.6 130,-2.4 -2,-0.4 2,-0.2 -0.973 18.9 159.3-121.9 132.2 0.6 2.3 19.7 56 57 A T E - d 0 82A 0 25,-2.7 27,-1.8 -2,-0.4 130,-0.1 -0.772 34.8-103.9-137.6-178.5 3.3 -0.4 19.2 57 58 A S - 0 0 0 128,-0.4 27,-0.2 2,-0.3 -1,-0.1 -0.278 36.0-104.7 -98.0-172.1 3.9 -3.6 17.3 58 59 A V S S+ 0 0 13 25,-0.4 2,-0.4 24,-0.1 26,-0.1 0.532 92.3 99.4 -93.1 -8.3 3.8 -7.2 18.6 59 60 A L S >> S- 0 0 0 24,-0.2 3,-1.3 1,-0.1 4,-1.3 -0.671 77.0-134.1 -81.3 128.5 7.6 -7.4 18.6 60 61 A N H 3> S+ 0 0 3 -2,-0.4 4,-3.1 1,-0.3 5,-0.3 0.711 100.2 65.1 -60.4 -23.5 8.9 -6.9 22.1 61 62 A R H 3> S+ 0 0 12 -34,-0.4 4,-1.1 2,-0.2 -1,-0.3 0.849 104.2 48.6 -67.4 -30.5 11.7 -4.5 21.1 62 63 A S H <> S+ 0 0 0 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.933 115.2 43.8 -70.1 -48.6 8.9 -2.0 20.0 63 64 A I H X S+ 0 0 2 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.931 110.7 51.9 -64.2 -51.7 7.0 -2.4 23.2 64 65 A H H X S+ 0 0 11 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.854 107.2 55.5 -57.2 -33.9 10.0 -2.2 25.6 65 66 A T H X S+ 0 0 2 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.936 108.9 47.4 -63.8 -43.4 11.0 1.0 23.9 66 67 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.901 110.1 52.2 -63.8 -42.3 7.6 2.4 24.6 67 68 A W H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.912 108.5 50.2 -60.9 -44.8 7.7 1.3 28.3 68 69 A L H X S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.847 111.8 48.6 -64.2 -34.0 11.1 2.9 28.9 69 70 A I H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.915 111.3 49.1 -72.6 -41.3 9.7 6.2 27.4 70 71 A L H X>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 4,-1.1 0.890 110.5 51.1 -64.1 -39.1 6.6 6.1 29.5 71 72 A E H <5S+ 0 0 53 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.924 110.2 49.2 -64.0 -42.6 8.6 5.5 32.6 72 73 A E H <5S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 115.5 44.5 -65.0 -29.8 10.8 8.4 31.8 73 74 A L H <5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.568 108.0-126.1 -89.1 -12.5 7.7 10.5 31.3 74 75 A G T <5S+ 0 0 36 -4,-1.1 -3,-0.2 -3,-0.5 3,-0.2 0.812 79.0 118.1 69.4 28.3 6.1 9.2 34.4 75 76 A Q > < + 0 0 13 -5,-2.8 3,-2.2 -6,-0.2 -4,-0.2 -0.147 15.8 136.1-120.0 38.0 3.1 8.2 32.2 76 77 A E T 3 + 0 0 9 -6,-0.4 -1,-0.1 1,-0.3 -5,-0.1 0.660 68.9 66.4 -58.4 -16.5 3.1 4.5 32.6 77 78 A W T 3 S+ 0 0 19 -3,-0.2 -1,-0.3 -7,-0.1 255,-0.2 0.651 71.9 112.7 -80.9 -17.4 -0.7 4.8 33.0 78 79 A V S < S- 0 0 3 -3,-2.2 -25,-0.2 1,-0.1 -26,-0.1 -0.350 82.3-102.6 -58.0 127.9 -1.2 5.9 29.3 79 80 A P - 0 0 70 0, 0.0 -25,-2.1 0, 0.0 2,-0.4 -0.259 37.0-156.5 -55.2 135.5 -3.1 3.1 27.4 80 81 A V E -d 54 0A 35 250,-0.4 250,-0.4 -27,-0.2 2,-0.4 -0.953 8.8-170.8-117.4 135.6 -0.7 1.1 25.3 81 82 A E E -d 55 0A 55 -27,-2.5 -25,-2.7 -2,-0.4 2,-0.3 -0.993 4.3-159.1-131.6 128.5 -2.1 -0.8 22.3 82 83 A S E +d 56 0A 42 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.3 -0.846 12.7 170.3-112.9 145.2 -0.1 -3.4 20.2 83 84 A S > - 0 0 11 -27,-1.8 3,-1.3 -2,-0.3 -25,-0.4 -0.995 38.5-136.2-150.7 144.6 -0.6 -4.7 16.6 84 85 A W G > S+ 0 0 11 -2,-0.3 3,-2.4 1,-0.3 -27,-0.1 0.731 101.9 75.7 -69.0 -23.1 1.3 -6.9 14.1 85 86 A R G 3 S+ 0 0 35 1,-0.3 -1,-0.3 79,-0.1 82,-0.1 0.490 95.3 50.9 -67.4 -2.0 0.3 -4.3 11.5 86 87 A L G < S+ 0 0 3 -3,-1.3 101,-0.4 -30,-0.1 -1,-0.3 0.321 88.2 123.0-114.1 1.1 3.0 -2.2 13.1 87 88 A N S < S- 0 0 0 -3,-2.4 100,-0.1 -31,-0.1 3,-0.1 -0.133 72.6 -92.7 -60.1 157.5 5.5 -5.0 12.9 88 89 A E - 0 0 10 -65,-0.3 -1,-0.1 1,-0.2 2,-0.1 -0.177 62.4 -71.5 -64.6 167.2 8.8 -4.6 11.0 89 90 A R - 0 0 6 1,-0.1 2,-0.8 -3,-0.1 -1,-0.2 -0.366 46.4-123.8 -63.2 137.2 8.9 -5.6 7.4 90 91 A H - 0 0 0 66,-0.2 65,-2.0 -67,-0.1 3,-0.1 -0.770 21.8-167.7 -86.1 113.8 8.8 -9.3 6.9 91 92 A Y > - 0 0 15 -2,-0.8 3,-1.9 1,-0.3 -1,-0.1 0.288 22.0-151.7 -85.5 11.8 11.9 -10.1 4.8 92 93 A G G > - 0 0 0 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 -0.322 69.2 -5.7 60.8-128.1 10.7 -13.7 4.0 93 94 A A G 3 S+ 0 0 17 30,-2.0 -1,-0.3 1,-0.2 4,-0.2 0.569 124.5 74.9 -77.2 -10.1 13.5 -16.2 3.4 94 95 A L G < + 0 0 2 -3,-1.9 3,-0.5 29,-0.4 -73,-0.4 0.474 67.0 122.0 -81.6 -1.8 16.1 -13.5 3.6 95 96 A I S < S+ 0 0 1 -3,-1.0 36,-0.2 1,-0.2 -73,-0.1 -0.458 79.9 8.1 -64.7 122.8 15.6 -13.4 7.4 96 97 A G S S+ 0 0 12 -75,-1.0 -1,-0.2 1,-0.3 -2,-0.1 -0.151 100.3 109.0 102.7 -40.1 19.0 -14.0 9.1 97 98 A L - 0 0 30 -3,-0.5 -76,-0.6 -4,-0.2 -1,-0.3 -0.202 61.0-131.8 -69.5 160.4 21.3 -14.0 6.1 98 99 A N > - 0 0 29 -78,-0.2 4,-1.4 -3,-0.1 -78,-0.1 -0.331 40.3 -85.7 -98.2-171.6 23.9 -11.2 5.5 99 100 A R H > S+ 0 0 184 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.923 127.3 47.7 -64.6 -44.4 24.3 -9.5 2.1 100 101 A E H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 108.3 53.3 -63.8 -43.6 26.7 -12.1 0.7 101 102 A Q H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 109.6 51.6 -60.6 -35.5 24.6 -15.1 1.8 102 103 A M H X>S+ 0 0 11 -4,-1.4 4,-1.6 2,-0.2 5,-0.5 0.921 108.7 47.2 -67.3 -48.9 21.7 -13.6 -0.1 103 104 A A H X5S+ 0 0 30 -4,-1.9 4,-1.7 3,-0.2 5,-0.2 0.889 111.6 54.4 -60.7 -40.2 23.5 -13.0 -3.4 104 105 A L H <5S+ 0 0 147 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 115.8 34.3 -60.8 -48.4 24.8 -16.6 -3.2 105 106 A N H <5S+ 0 0 106 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.615 135.5 20.7 -85.4 -12.8 21.5 -18.3 -2.8 106 107 A H H <5S- 0 0 65 -4,-1.6 -3,-0.2 -5,-0.1 -2,-0.2 0.666 109.7 -90.6-128.3 -27.4 19.4 -16.0 -5.0 107 108 A G X< - 0 0 29 -4,-1.7 4,-2.7 -5,-0.5 5,-0.2 0.132 22.3-114.4 115.5 127.9 21.5 -13.9 -7.4 108 109 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.944 119.5 49.5 -54.7 -52.2 23.1 -10.5 -7.0 109 110 A E H > S+ 0 0 62 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.896 113.7 47.2 -53.8 -42.8 20.8 -9.1 -9.7 110 111 A Q H > S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.862 109.3 53.1 -69.3 -37.0 17.8 -10.6 -7.9 111 112 A V H X S+ 0 0 8 -4,-2.7 4,-1.0 1,-0.2 5,-0.3 0.816 95.8 69.2 -69.5 -31.7 18.9 -9.4 -4.5 112 113 A R H >X S+ 0 0 147 -4,-2.0 4,-2.1 1,-0.2 3,-0.9 0.945 100.6 45.7 -51.4 -56.4 19.2 -5.7 -5.6 113 114 A L H 3X S+ 0 0 82 -4,-0.9 4,-2.7 1,-0.2 7,-0.3 0.934 104.6 61.8 -53.0 -54.3 15.5 -5.3 -6.1 114 115 A W H 3< S+ 0 0 14 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.693 117.5 26.6 -48.9 -28.5 14.5 -6.9 -2.8 115 116 A R H << S+ 0 0 59 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.669 130.4 37.9-109.3 -23.2 16.3 -4.4 -0.6 116 117 A R H < S+ 0 0 66 -4,-2.1 2,-0.2 -5,-0.3 -2,-0.2 0.411 100.6 79.4-110.1 -1.2 16.4 -1.3 -2.9 117 118 A S < - 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