==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-FEB-09 3GF4 . COMPND 2 MOLECULE: UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR T.D.GRUBER,M.J.BORROK,L.L.KIESSLING,K.T.FOREST . 766 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 513 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.3 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 . 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 . 71 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.3 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 1 0 1 7 0 2 4 0 0 1 1 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 2 2 8 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 2 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 K 0 0 212 0, 0.0 2,-1.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 136.6 -30.9 -86.2 13.1 2 3 A S - 0 0 58 24,-0.1 24,-0.1 1,-0.0 23,-0.1 -0.608 360.0-154.3 -84.6 98.9 -30.1 -84.7 9.6 3 4 A K - 0 0 49 -2,-1.0 24,-2.5 1,-0.1 2,-0.6 -0.331 15.2-124.2 -68.4 146.9 -33.0 -82.4 8.5 4 5 A K E -a 27 0A 101 22,-0.2 223,-2.6 -2,-0.1 224,-0.9 -0.877 35.7-169.9 -92.9 119.6 -33.8 -81.8 4.8 5 6 A I E -ab 28 228A 0 22,-3.1 24,-3.7 -2,-0.6 2,-0.5 -0.951 15.4-159.5-122.4 128.3 -33.7 -78.0 4.3 6 7 A L E -ab 29 229A 0 222,-2.2 224,-2.7 -2,-0.4 2,-0.5 -0.908 8.7-169.9-103.9 131.6 -34.8 -75.9 1.3 7 8 A I E -ab 30 230A 2 22,-3.7 24,-2.1 -2,-0.5 2,-0.9 -0.980 13.3-147.4-119.7 123.9 -33.4 -72.4 0.9 8 9 A V E +ab 31 231A 14 222,-3.4 224,-2.1 -2,-0.5 24,-0.2 -0.812 69.4 25.5 -92.4 102.6 -34.8 -69.9 -1.7 9 10 A G - 0 0 7 22,-2.8 23,-0.2 -2,-0.9 22,-0.1 0.215 59.3-137.1 121.2 132.9 -32.0 -67.7 -3.0 10 11 A A + 0 0 0 26,-0.2 28,-2.8 4,-0.2 22,-0.1 -0.175 69.2 106.0-104.3 36.4 -28.2 -67.9 -3.3 11 12 A G S > S- 0 0 12 27,-0.2 4,-2.9 26,-0.2 5,-0.2 -0.162 97.1 -68.8 -90.3-161.4 -27.3 -64.4 -2.1 12 13 A F H > S+ 0 0 10 26,-0.3 4,-2.8 2,-0.2 5,-0.4 0.925 133.7 53.5 -56.5 -48.3 -25.8 -63.7 1.4 13 14 A S H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.966 116.8 36.8 -53.0 -57.0 -29.0 -64.7 3.2 14 15 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 117.4 50.7 -63.3 -46.8 -29.3 -68.0 1.5 15 16 A A H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -1,-0.2 0.951 112.8 44.3 -58.6 -52.9 -25.6 -68.8 1.4 16 17 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.889 115.2 46.3 -66.7 -41.2 -24.9 -68.1 5.1 17 18 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.4 5,-0.3 0.984 113.8 50.2 -63.5 -51.9 -27.9 -69.9 6.4 18 19 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 3,-0.3 0.922 112.2 47.6 -44.0 -52.6 -27.1 -72.9 4.1 19 20 A R H X S+ 0 0 38 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.882 106.5 55.2 -67.9 -36.3 -23.5 -73.0 5.3 20 21 A Q H < S+ 0 0 52 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.8 39.3 -62.5 -32.5 -24.3 -72.8 9.0 21 22 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.0 -3,-0.3 3,-1.5 0.846 107.1 59.5 -90.0 -35.4 -26.5 -75.8 8.8 22 23 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.960 102.0 57.6 -51.0 -50.7 -24.5 -77.9 6.4 23 24 A E T 3<5S+ 0 0 104 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.596 102.2 56.0 -59.2 -14.7 -21.8 -77.7 9.0 24 25 A K T < 5S- 0 0 137 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 -0.156 127.0-101.4-105.8 34.8 -24.3 -79.3 11.4 25 26 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.558 74.1 144.2 61.7 15.0 -24.8 -82.2 9.0 26 27 A H < - 0 0 11 -5,-2.0 2,-0.9 -8,-0.1 -1,-0.2 -0.527 55.4-118.3 -84.1 152.7 -28.1 -81.1 7.5 27 28 A Q E -a 4 0A 86 -24,-2.5 -22,-3.1 -2,-0.2 2,-0.6 -0.816 36.7-163.6 -94.7 106.5 -28.9 -81.7 3.8 28 29 A V E -ac 5 210A 5 181,-2.6 183,-2.4 -2,-0.9 2,-0.6 -0.844 13.9-168.3-106.5 121.0 -29.3 -78.2 2.4 29 30 A H E -ac 6 211A 28 -24,-3.7 -22,-3.7 -2,-0.6 2,-0.6 -0.906 8.3-175.0-107.1 109.7 -31.0 -77.5 -1.0 30 31 A I E -ac 7 212A 0 181,-2.6 183,-1.9 -2,-0.6 2,-0.4 -0.909 3.5-177.1-108.8 115.1 -30.4 -73.9 -2.3 31 32 A I E -ac 8 213A 1 -24,-2.1 -22,-2.8 -2,-0.6 2,-0.4 -0.884 5.1-172.3-108.5 145.8 -32.2 -72.8 -5.4 32 33 A D - 0 0 16 181,-1.8 184,-2.3 -2,-0.4 183,-0.2 -0.998 25.1-141.5-132.6 140.1 -31.9 -69.5 -7.2 33 34 A Q S S+ 0 0 120 -2,-0.4 184,-0.2 182,-0.2 2,-0.1 0.618 82.8 79.3 -68.7 -12.2 -34.0 -68.4 -10.1 34 35 A R S S- 0 0 55 2,-0.2 181,-3.1 182,-0.2 182,-0.4 -0.426 89.8-116.3 -91.3 170.6 -30.9 -66.7 -11.7 35 36 A D S S+ 0 0 99 179,-0.2 2,-0.3 180,-0.1 179,-0.1 0.298 95.5 37.8 -91.3 14.6 -28.2 -68.5 -13.7 36 37 A H S S- 0 0 35 6,-0.0 3,-0.3 0, 0.0 -2,-0.2 -0.974 81.7-110.7-155.1 161.7 -25.6 -67.6 -11.1 37 38 A I S S+ 0 0 21 -2,-0.3 -26,-0.2 1,-0.2 165,-0.1 -0.220 76.2 72.3 -81.2 173.5 -25.1 -67.3 -7.4 38 39 A G S > S- 0 0 0 -28,-2.8 3,-1.8 4,-0.1 -26,-0.3 0.190 71.6-137.8 115.8 -11.8 -24.6 -64.1 -5.4 39 40 A G G > S- 0 0 13 -3,-0.3 3,-1.9 1,-0.3 17,-0.1 -0.185 74.7 -24.9 50.6-147.7 -27.9 -62.3 -5.4 40 41 A N G 3 S+ 0 0 25 1,-0.3 16,-0.4 15,-0.1 -1,-0.3 0.440 134.5 72.6 -75.6 1.9 -27.5 -58.6 -5.9 41 42 A S G < S+ 0 0 12 -3,-1.8 -1,-0.3 14,-0.1 156,-0.3 0.407 72.8 130.0 -84.9 -1.7 -24.0 -58.9 -4.5 42 43 A Y < + 0 0 45 -3,-1.9 13,-1.9 155,-0.1 14,-0.6 -0.342 32.5 178.0 -63.5 126.3 -23.0 -60.5 -7.7 43 44 A D E +E 54 0B 4 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.920 3.1 168.8-121.1 153.5 -19.9 -59.2 -9.5 44 45 A A E -E 53 0B 28 9,-1.7 9,-2.9 -2,-0.3 2,-0.4 -0.961 35.3 -91.4-155.3 165.5 -18.3 -60.6 -12.7 45 46 A R E -E 52 0B 95 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.668 29.8-125.8 -92.0 136.4 -15.7 -59.5 -15.2 46 47 A D > - 0 0 17 5,-2.2 4,-1.9 -2,-0.4 5,-0.1 -0.560 18.2-138.0 -71.0 134.9 -16.3 -57.6 -18.3 47 48 A S T 4 S+ 0 0 120 -2,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.981 96.8 45.1 -57.9 -58.1 -14.9 -59.4 -21.4 48 49 A E T 4 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 246,-0.1 0.907 131.0 16.3 -58.6 -53.3 -13.5 -56.4 -23.2 49 50 A T T 4 S- 0 0 16 2,-0.1 -1,-0.2 244,-0.1 244,-0.2 0.536 86.8-134.4 -99.6 -14.2 -11.7 -54.6 -20.3 50 51 A N < + 0 0 88 -4,-1.9 2,-0.3 1,-0.2 -3,-0.1 0.619 51.2 151.8 62.0 12.8 -11.5 -57.4 -17.6 51 52 A V - 0 0 1 1,-0.1 -5,-2.2 -6,-0.1 2,-0.6 -0.599 52.7-118.5 -72.0 132.8 -12.7 -54.9 -15.0 52 53 A M E -E 45 0B 19 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.644 36.1-156.8 -72.3 120.3 -14.6 -56.6 -12.2 53 54 A V E -E 44 0B 6 -9,-2.9 -9,-1.7 -2,-0.6 2,-0.8 -0.808 18.8-135.6-104.8 136.1 -18.0 -55.1 -12.3 54 55 A H E > -E 43 0B 8 -2,-0.4 3,-1.3 -11,-0.2 -11,-0.2 -0.841 26.0-160.1 -89.6 110.2 -20.5 -54.9 -9.4 55 56 A V T 3 S+ 0 0 52 -13,-1.9 -1,-0.2 -2,-0.8 -12,-0.1 0.896 80.7 34.8 -74.3 -37.2 -23.5 -56.0 -11.4 56 57 A Y T 3 S- 0 0 31 -14,-0.6 -1,-0.3 1,-0.4 -13,-0.1 -0.025 134.2 -56.3-103.9 29.2 -26.4 -54.7 -9.3 57 58 A G S < S- 0 0 6 -3,-1.3 -1,-0.4 2,-0.1 -2,-0.1 -0.097 76.3 -56.8 110.9 146.3 -24.6 -51.6 -8.1 58 59 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -5,-0.0 -0.308 52.4-158.5 -55.8 140.8 -21.3 -51.0 -6.3 59 60 A H - 0 0 42 -18,-0.1 2,-0.5 291,-0.0 138,-0.1 -0.968 8.5-171.8-133.7 107.6 -21.2 -52.8 -3.0 60 61 A I - 0 0 22 -2,-0.4 2,-0.4 132,-0.1 291,-0.2 -0.902 20.6-132.7-108.2 125.1 -18.8 -51.7 -0.2 61 62 A F E +F 191 0C 0 130,-1.6 130,-1.7 -2,-0.5 2,-0.3 -0.582 36.6 158.6 -77.5 131.3 -18.3 -53.8 2.8 62 63 A H E +F 190 0C 14 -2,-0.4 2,-0.3 128,-0.2 290,-0.3 -0.948 3.1 148.9-154.6 129.2 -18.6 -51.9 6.2 63 64 A T E -F 189 0C 0 126,-2.6 126,-2.7 -2,-0.3 -2,-0.0 -0.993 43.1-154.0-155.5 152.6 -19.3 -53.1 9.7 64 65 A D S S+ 0 0 107 -2,-0.3 2,-0.8 124,-0.2 -1,-0.1 0.405 75.9 104.3 -98.7 -3.6 -18.6 -52.5 13.3 65 66 A N > - 0 0 60 1,-0.2 4,-2.6 124,-0.1 5,-0.2 -0.661 51.8-170.8 -82.4 101.2 -19.4 -56.2 13.9 66 67 A E H > S+ 0 0 101 -2,-0.8 4,-3.4 1,-0.2 5,-0.2 0.851 83.7 56.8 -64.3 -34.7 -16.1 -58.1 14.4 67 68 A T H > S+ 0 0 96 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.960 110.3 43.7 -61.9 -50.4 -17.7 -61.5 14.3 68 69 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 113.8 52.3 -58.7 -46.0 -19.1 -60.8 10.8 69 70 A W H X S+ 0 0 39 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.940 111.3 45.4 -58.5 -46.3 -15.9 -59.3 9.8 70 71 A N H X S+ 0 0 81 -4,-3.4 4,-1.1 1,-0.2 3,-0.2 0.934 110.6 57.5 -58.5 -45.4 -14.0 -62.4 10.9 71 72 A Y H >< S+ 0 0 14 -4,-2.9 3,-1.1 1,-0.3 4,-0.3 0.909 107.0 43.4 -52.5 -53.6 -16.5 -64.5 9.2 72 73 A I H >X S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.3 4,-0.8 0.767 105.9 65.1 -72.8 -19.8 -16.1 -63.1 5.7 73 74 A N H 3< S+ 0 0 63 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.764 93.1 61.1 -73.5 -21.5 -12.3 -63.2 6.3 74 75 A K T << S+ 0 0 143 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.588 115.2 34.6 -63.8 -16.8 -12.6 -67.0 6.4 75 76 A H T <4 S+ 0 0 25 -3,-1.4 2,-0.3 1,-0.3 128,-0.3 0.401 123.4 19.3-129.1 -1.0 -14.0 -66.8 2.8 76 77 A A S < S- 0 0 22 -4,-0.8 2,-0.8 -3,-0.1 -1,-0.3 -0.981 72.0-108.5-160.0 159.0 -12.1 -63.9 1.1 77 78 A E - 0 0 123 -2,-0.3 117,-3.5 -3,-0.1 2,-0.7 -0.879 38.7-145.7 -87.0 107.9 -9.1 -61.7 1.3 78 79 A M E -G 193 0C 20 -2,-0.8 112,-0.1 115,-0.2 -5,-0.0 -0.646 8.9-157.3 -80.5 114.1 -10.4 -58.3 2.4 79 80 A M E -G 192 0C 30 113,-3.0 113,-2.3 -2,-0.7 2,-0.1 -0.731 27.6-110.7 -82.4 136.5 -8.5 -55.5 0.8 80 81 A P E +G 191 0C 112 0, 0.0 2,-0.3 0, 0.0 111,-0.2 -0.414 45.2 171.2 -67.0 140.4 -8.7 -52.2 2.7 81 82 A Y - 0 0 19 109,-0.8 2,-0.5 -20,-0.1 205,-0.0 -0.962 19.5-159.6-152.8 127.4 -10.8 -49.7 0.8 82 83 A V - 0 0 51 -2,-0.3 2,-0.5 2,-0.0 101,-0.0 -0.975 21.4-131.0-116.6 129.5 -12.0 -46.3 2.0 83 84 A N - 0 0 7 -2,-0.5 101,-2.5 102,-0.1 2,-0.5 -0.654 25.3-179.6 -87.2 123.8 -14.9 -44.8 0.1 84 85 A R - 0 0 40 -2,-0.5 183,-0.4 99,-0.2 2,-0.4 -0.920 12.2-159.7-129.6 99.4 -14.3 -41.2 -0.9 85 86 A V - 0 0 4 -2,-0.5 11,-3.2 11,-0.4 2,-0.2 -0.660 2.7-160.2 -88.9 133.3 -17.2 -39.8 -2.8 86 87 A K E -Hi 95 268D 5 181,-1.8 183,-3.2 -2,-0.4 2,-0.4 -0.695 5.5-152.5-102.7 163.9 -16.9 -36.8 -5.0 87 88 A A E -Hi 94 269D 0 7,-2.0 7,-3.0 -2,-0.2 2,-0.6 -0.988 6.0-154.0-144.5 133.1 -19.8 -34.5 -6.1 88 89 A T E +Hi 93 270D 24 181,-3.2 183,-1.9 -2,-0.4 184,-0.6 -0.919 35.6 133.6-106.6 123.4 -20.3 -32.4 -9.1 89 90 A V E > +H 92 0D 7 3,-2.2 3,-2.0 -2,-0.6 -2,-0.1 -0.936 61.0 13.9-157.9 153.3 -22.7 -29.4 -8.8 90 91 A N T 3 S- 0 0 111 1,-0.3 3,-0.1 -2,-0.3 59,-0.0 0.803 128.8 -55.8 55.6 35.6 -22.7 -25.7 -9.7 91 92 A G T 3 S+ 0 0 48 1,-0.2 2,-0.3 403,-0.1 -1,-0.3 0.665 119.5 94.5 76.6 14.6 -19.7 -26.0 -12.0 92 93 A Q E < -H 89 0D 52 -3,-2.0 -3,-2.2 402,-0.1 2,-0.4 -0.959 67.6-129.4-138.6 160.7 -17.5 -27.5 -9.3 93 94 A V E +H 88 0D 3 400,-0.5 2,-0.3 -2,-0.3 -5,-0.2 -0.925 31.8 177.0-104.0 131.9 -16.3 -30.7 -7.8 94 95 A F E -H 87 0D 1 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.4 -0.797 28.7-112.2-127.2 161.4 -16.6 -31.2 -4.0 95 96 A S E -H 86 0D 2 -2,-0.3 4,-0.4 -9,-0.2 -9,-0.2 -0.817 41.4-119.2 -96.9 145.0 -15.9 -33.9 -1.6 96 97 A L S S+ 0 0 12 -11,-3.2 -11,-0.4 -2,-0.4 2,-0.2 -0.820 80.6 52.8-115.0 163.2 -18.7 -35.7 0.3 97 98 A P S S- 0 0 3 0, 0.0 5,-0.2 0, 0.0 79,-0.1 0.700 105.3 -90.5 -71.9 165.2 -19.9 -36.3 2.9 98 99 A I + 0 0 4 77,-0.2 79,-3.4 -2,-0.2 2,-0.2 -0.201 69.2 152.6 -50.0 117.4 -20.0 -32.7 4.0 99 100 A N > - 0 0 0 -4,-0.4 4,-2.6 77,-0.2 5,-0.2 -0.729 61.0 -76.8-135.9-172.1 -16.7 -31.9 5.8 100 101 A L H > S+ 0 0 0 79,-2.9 4,-2.5 1,-0.2 5,-0.2 0.835 129.4 52.6 -62.9 -31.2 -14.4 -29.0 6.5 101 102 A H H > S+ 0 0 3 78,-0.4 4,-2.6 2,-0.2 5,-0.3 0.937 110.2 48.0 -70.2 -39.2 -13.0 -29.1 3.0 102 103 A T H > S+ 0 0 0 -5,-0.2 4,-3.0 2,-0.2 5,-0.2 0.912 113.4 47.2 -65.1 -43.1 -16.6 -29.0 1.6 103 104 A I H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.932 114.0 46.8 -66.3 -43.5 -17.5 -26.1 3.8 104 105 A N H X>S+ 0 0 4 -4,-2.5 5,-1.9 -5,-0.2 4,-0.5 0.896 117.3 42.8 -67.1 -37.6 -14.3 -24.1 3.0 105 106 A Q H ><5S+ 0 0 14 -4,-2.6 3,-0.9 -5,-0.2 -2,-0.2 0.963 114.7 50.1 -73.8 -45.5 -14.6 -24.7 -0.8 106 107 A F H 3<5S+ 0 0 39 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.913 123.2 28.2 -61.3 -44.9 -18.4 -24.0 -0.9 107 108 A F H 3<5S- 0 0 26 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.274 107.9-116.0-101.0 9.7 -18.4 -20.7 1.0 108 109 A S T <<5S+ 0 0 95 -3,-0.9 2,-0.2 -4,-0.5 -3,-0.2 0.932 70.2 125.2 54.1 56.4 -14.8 -19.6 0.0 109 110 A K < - 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