==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 27-OCT-04 1WAM . COMPND 2 MOLECULE: UDP-GALACTOPYRANOSE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE; . AUTHOR K.BEIS,V.SRIKANNATHASAN,J.H.NAISMITH . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 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 . 30 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 0 0 2 2 2 0 0 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 1 1 4 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 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 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 3 A S 0 0 98 0, 0.0 2,-0.2 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 102.6 -59.8 -2.5 0.8 2 4 A K - 0 0 86 18,-0.1 24,-2.6 1,-0.0 2,-0.7 -0.513 360.0-127.4 -87.5 150.7 -56.5 -2.9 2.6 3 5 A K E -a 26 0A 99 -2,-0.2 220,-2.8 22,-0.2 221,-1.0 -0.884 32.3-173.2-100.5 112.1 -54.2 -0.1 3.9 4 6 A I E -ab 27 224A 0 22,-1.7 24,-2.8 -2,-0.7 2,-0.5 -0.836 17.4-158.4-110.2 131.6 -50.7 -0.5 2.6 5 7 A L E -ab 28 225A 0 219,-1.9 221,-2.6 -2,-0.4 2,-0.5 -0.954 11.9-165.6-102.0 128.5 -47.5 1.5 3.4 6 8 A I E -ab 29 226A 1 22,-2.9 24,-2.4 -2,-0.5 2,-0.8 -0.976 9.8-151.7-110.5 128.2 -44.8 1.3 0.8 7 9 A V E +ab 30 227A 14 219,-3.1 221,-2.4 -2,-0.5 24,-0.2 -0.826 69.9 32.6 -98.9 100.3 -41.3 2.4 1.8 8 10 A G - 0 0 9 22,-2.6 23,-0.2 -2,-0.8 22,-0.1 -0.039 58.5-142.0 120.1 128.9 -39.8 3.7 -1.5 9 11 A A + 0 0 0 26,-0.2 28,-2.3 4,-0.2 22,-0.1 -0.019 69.3 108.9-107.7 27.1 -41.0 5.5 -4.7 10 12 A G S > S- 0 0 12 26,-0.2 4,-2.8 27,-0.1 5,-0.3 0.023 95.3 -72.6 -79.5-170.7 -38.6 3.5 -7.0 11 13 A F H > S+ 0 0 7 26,-0.4 4,-3.0 2,-0.2 5,-0.3 0.954 132.4 52.0 -52.8 -52.5 -39.7 0.8 -9.4 12 14 A S H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.935 118.0 36.2 -45.1 -58.7 -40.4 -1.8 -6.6 13 15 A G H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 118.8 48.7 -69.3 -45.2 -42.7 0.6 -4.7 14 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.926 116.8 42.7 -59.6 -47.5 -44.3 2.3 -7.7 15 17 A V H X S+ 0 0 0 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.914 116.9 44.5 -71.5 -46.1 -45.1 -1.0 -9.3 16 18 A I H X S+ 0 0 1 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.973 115.1 52.4 -57.0 -52.5 -46.3 -2.9 -6.2 17 19 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 -2,-0.2 0.836 109.3 46.5 -48.9 -44.1 -48.3 0.3 -5.3 18 20 A R H X S+ 0 0 37 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.839 110.6 52.2 -75.2 -36.0 -50.1 0.6 -8.7 19 21 A Q H X S+ 0 0 48 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.930 116.4 40.9 -60.8 -48.6 -51.0 -3.1 -8.9 20 22 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.6 -5,-0.2 3,-1.5 0.950 111.4 55.1 -63.3 -51.6 -52.6 -2.8 -5.4 21 23 A A H ><5S+ 0 0 1 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.843 103.5 57.7 -51.0 -38.6 -54.2 0.6 -6.1 22 24 A E H 3<5S+ 0 0 100 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.710 101.0 54.7 -70.7 -21.5 -56.0 -0.9 -9.1 23 25 A K T <<5S- 0 0 143 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.156 128.8 -97.5 -94.7 16.2 -57.7 -3.6 -7.0 24 26 A G T < 5S+ 0 0 35 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.534 76.2 142.8 91.2 7.2 -59.1 -0.8 -4.8 25 27 A H < - 0 0 18 -5,-1.6 2,-0.9 -24,-0.1 -1,-0.3 -0.402 55.3-117.0 -76.9 154.7 -56.5 -0.8 -2.0 26 28 A Q E -a 3 0A 92 -24,-2.6 -22,-1.7 -2,-0.1 2,-0.5 -0.812 35.3-168.2-101.8 99.1 -55.4 2.4 -0.3 27 29 A V E -ac 4 206A 3 178,-2.0 180,-2.4 -2,-0.9 2,-0.6 -0.741 11.2-169.5 -94.0 122.6 -51.6 2.7 -1.0 28 30 A H E -ac 5 207A 24 -24,-2.8 -22,-2.9 -2,-0.5 2,-0.5 -0.950 9.3-166.9-111.5 116.6 -49.5 5.3 0.9 29 31 A I E -ac 6 208A 0 178,-3.3 180,-2.8 -2,-0.6 2,-0.3 -0.913 5.9-174.6-110.0 124.9 -46.0 5.6 -0.6 30 32 A I E -ac 7 209A 1 -24,-2.4 -22,-2.6 -2,-0.5 2,-0.3 -0.889 5.9-175.5-115.7 151.3 -43.3 7.4 1.3 31 33 A D - 0 0 14 178,-2.0 181,-2.7 -2,-0.3 180,-0.2 -0.965 26.9-146.7-147.6 130.2 -39.7 8.4 0.3 32 34 A Q S S+ 0 0 118 -2,-0.3 181,-0.2 179,-0.3 -1,-0.1 0.759 82.6 84.7 -59.4 -28.7 -36.9 10.1 2.3 33 35 A R S S- 0 0 46 2,-0.2 178,-3.0 179,-0.2 179,-0.4 -0.318 88.8-121.1 -74.0 160.3 -35.7 11.7 -1.0 34 36 A D S S+ 0 0 106 176,-0.2 2,-0.3 177,-0.1 -1,-0.1 0.232 94.4 44.1 -83.2 15.1 -37.2 15.0 -2.3 35 37 A H S S- 0 0 26 6,-0.0 3,-0.4 0, 0.0 -26,-0.2 -0.994 79.3-117.0-156.7 151.7 -38.2 13.2 -5.4 36 38 A I S S+ 0 0 22 -2,-0.3 -26,-0.2 1,-0.2 162,-0.1 -0.262 79.0 69.7 -74.0 172.3 -39.8 9.9 -6.7 37 39 A G S > S- 0 0 0 -28,-2.3 3,-1.2 160,-0.1 -26,-0.4 -0.029 73.9-141.7 113.0 -30.6 -37.9 7.4 -8.9 38 40 A G G > S- 0 0 10 -3,-0.4 3,-1.3 1,-0.2 17,-0.1 -0.441 73.4 -21.7 65.0-145.0 -35.3 5.9 -6.5 39 41 A N G 3 S+ 0 0 18 1,-0.2 16,-0.4 -2,-0.1 -1,-0.2 0.607 136.1 66.8 -73.2 -7.0 -32.0 5.3 -8.2 40 42 A S G < S+ 0 0 14 -3,-1.2 153,-0.3 14,-0.1 -1,-0.2 0.544 77.6 128.0 -87.1 -8.8 -33.7 5.3 -11.7 41 43 A Y < - 0 0 45 -3,-1.3 13,-1.3 152,-0.1 14,-0.7 -0.185 34.2-179.5 -54.9 130.7 -34.5 9.0 -11.2 42 44 A D E -E 53 0B 4 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.926 3.8-173.8-129.3 155.2 -33.5 11.5 -14.0 43 45 A A E -E 52 0B 33 9,-1.7 9,-3.3 -2,-0.3 2,-0.6 -0.974 31.1-105.6-145.9 151.6 -34.0 15.3 -14.2 44 46 A R E -E 51 0B 91 -2,-0.3 7,-0.3 7,-0.3 6,-0.1 -0.770 36.6-120.5 -86.0 119.4 -33.4 17.9 -16.8 45 47 A D - 0 0 20 5,-3.0 -1,-0.0 -2,-0.6 247,-0.0 -0.281 18.8-140.0 -51.7 136.6 -30.3 20.1 -16.1 46 48 A S S S+ 0 0 123 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.885 96.8 41.2 -77.7 -39.1 -31.5 23.7 -15.9 47 49 A E S S+ 0 0 144 3,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.898 126.0 33.8 -71.3 -44.8 -28.6 25.4 -17.8 48 50 A T S S- 0 0 9 2,-0.1 243,-0.1 241,-0.1 240,-0.1 -0.693 87.2-126.5-100.5 154.8 -28.4 22.7 -20.5 49 51 A N + 0 0 98 -2,-0.3 2,-0.4 241,-0.2 -3,-0.1 0.203 62.7 140.8 -90.5 33.3 -31.6 21.0 -21.5 50 52 A V - 0 0 1 -6,-0.1 -5,-3.0 1,-0.1 2,-0.8 -0.550 56.0-132.2 -86.0 125.5 -30.1 17.6 -20.8 51 53 A M E -E 44 0B 10 -2,-0.4 2,-0.5 -7,-0.3 -7,-0.3 -0.603 31.9-158.4 -60.3 106.4 -31.9 14.8 -19.3 52 54 A V E -E 43 0B 3 -9,-3.3 -9,-1.7 -2,-0.8 2,-1.0 -0.803 17.5-140.6 -95.3 128.7 -29.4 13.7 -16.6 53 55 A H E > -E 42 0B 3 -2,-0.5 3,-1.4 -11,-0.2 -11,-0.2 -0.825 24.9-161.5 -84.2 103.9 -29.6 10.2 -15.2 54 56 A V T 3 S+ 0 0 36 -13,-1.3 -1,-0.2 -2,-1.0 -12,-0.1 0.752 80.1 42.4 -69.0 -35.8 -28.7 11.3 -11.7 55 57 A Y T 3 S- 0 0 26 -14,-0.7 -1,-0.3 -16,-0.4 -13,-0.1 0.028 128.5 -73.5-101.4 27.5 -27.6 8.1 -10.1 56 58 A G S < S- 0 0 3 -3,-1.4 -1,-0.4 2,-0.1 193,-0.0 -0.251 79.8 -28.0 105.5 165.9 -25.6 7.0 -13.1 57 59 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 -5,-0.0 -0.275 54.4-166.5 -50.4 126.1 -26.4 5.6 -16.6 58 60 A H - 0 0 36 -18,-0.1 2,-0.5 2,-0.0 135,-0.1 -0.936 7.6-180.0-120.3 110.1 -29.7 3.8 -16.7 59 61 A I - 0 0 16 -2,-0.5 2,-0.4 129,-0.1 288,-0.2 -0.905 21.2-137.0-108.2 125.6 -30.2 1.7 -19.9 60 62 A F E +F 187 0C 2 127,-1.1 127,-1.5 -2,-0.5 2,-0.3 -0.729 36.0 151.8 -91.6 131.1 -33.4 -0.3 -20.3 61 63 A H E +F 186 0C 10 -2,-0.4 287,-0.3 125,-0.2 2,-0.3 -0.974 8.5 160.2-156.2 134.9 -33.2 -3.8 -21.6 62 64 A T E -F 185 0C 0 123,-2.7 123,-2.9 -2,-0.3 122,-0.1 -0.995 37.8-157.2-154.6 155.4 -35.3 -7.0 -21.1 63 65 A D S S+ 0 0 106 -2,-0.3 2,-0.8 121,-0.2 -1,-0.1 0.415 77.2 99.0-102.3 -6.9 -36.2 -10.4 -22.6 64 66 A N > - 0 0 65 1,-0.2 4,-2.2 121,-0.1 5,-0.1 -0.725 56.4-167.6 -85.0 110.0 -39.4 -10.2 -20.7 65 67 A E H > S+ 0 0 101 -2,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.824 87.1 56.7 -67.4 -31.2 -42.2 -9.1 -23.1 66 68 A T H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.884 108.8 47.1 -67.3 -38.7 -44.7 -8.5 -20.2 67 69 A V H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.926 113.3 48.7 -68.6 -43.9 -42.2 -6.1 -18.6 68 70 A W H X S+ 0 0 43 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.906 110.9 50.0 -56.0 -49.0 -41.6 -4.4 -22.0 69 71 A N H X S+ 0 0 88 -4,-2.9 4,-0.9 1,-0.2 -2,-0.2 0.902 109.8 52.7 -58.5 -41.5 -45.4 -4.1 -22.6 70 72 A Y H < S+ 0 0 23 -4,-1.8 4,-0.5 1,-0.2 3,-0.2 0.836 108.5 47.5 -61.3 -45.6 -45.8 -2.6 -19.1 71 73 A V H >X S+ 0 0 1 -4,-2.0 4,-0.8 1,-0.2 3,-0.7 0.820 107.2 57.9 -70.1 -29.0 -43.2 0.2 -19.5 72 74 A N H 3< S+ 0 0 61 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.747 99.7 59.2 -71.4 -21.7 -44.7 1.1 -23.0 73 75 A K T 3< S+ 0 0 167 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.734 115.2 35.4 -70.5 -25.0 -48.0 1.7 -21.2 74 76 A H T <4 S+ 0 0 20 -3,-0.7 2,-0.3 -4,-0.5 125,-0.3 0.441 125.2 18.3-113.4 -2.8 -46.2 4.4 -19.1 75 77 A A S < S- 0 0 21 -4,-0.8 2,-0.8 124,-0.1 -1,-0.2 -0.982 76.7-103.5-159.3 153.8 -43.6 6.0 -21.4 76 78 A E - 0 0 122 -2,-0.3 114,-2.8 -3,-0.1 2,-0.5 -0.798 44.2-143.8 -81.2 110.7 -42.9 6.4 -25.1 77 79 A M E -G 189 0C 23 -2,-0.8 109,-0.0 112,-0.2 -5,-0.0 -0.675 11.9-155.8 -87.7 126.5 -40.0 3.9 -25.6 78 80 A M E -G 188 0C 33 110,-3.1 110,-1.5 -2,-0.5 2,-0.1 -0.784 25.9-106.6-102.3 133.5 -37.3 5.0 -28.0 79 81 A P E +G 187 0C 116 0, 0.0 2,-0.3 0, 0.0 108,-0.2 -0.418 52.6 160.3 -55.8 129.5 -35.0 2.6 -29.8 80 82 A Y - 0 0 23 106,-1.0 2,-0.5 -20,-0.1 202,-0.0 -0.860 23.0-168.5-157.0 119.3 -31.6 2.9 -28.1 81 83 A V - 0 0 54 -2,-0.3 2,-0.2 -22,-0.0 107,-0.0 -0.975 23.8-132.9-113.7 118.4 -28.8 0.3 -28.3 82 84 A N - 0 0 7 -2,-0.5 98,-2.3 180,-0.0 99,-0.4 -0.513 23.2-175.9 -74.3 132.0 -26.0 1.0 -25.8 83 85 A R - 0 0 108 -2,-0.2 180,-0.5 96,-0.2 2,-0.4 -0.994 8.9-157.3-131.2 120.5 -22.5 0.8 -27.2 84 86 A V E -H 95 0D 7 11,-0.7 11,-2.6 94,-0.4 2,-0.3 -0.821 4.2-162.1-103.1 135.1 -19.5 1.2 -24.8 85 87 A K E -Hi 94 264D 63 178,-1.6 180,-2.5 -2,-0.4 2,-0.4 -0.765 8.4-152.3-102.6 159.7 -16.0 2.2 -25.6 86 88 A A E -Hi 93 265D 0 7,-2.2 7,-3.0 -2,-0.3 2,-0.5 -0.998 2.8-151.7-133.5 133.8 -13.0 1.6 -23.3 87 89 A T E +Hi 92 266D 33 178,-3.1 180,-1.5 -2,-0.4 181,-0.5 -0.892 38.2 130.7-103.9 130.3 -9.8 3.6 -23.1 88 90 A V E > +H 91 0D 8 3,-2.1 3,-1.1 -2,-0.5 -2,-0.1 -0.884 59.2 24.5-177.0 143.8 -6.7 1.7 -22.0 89 91 A N T 3 S- 0 0 103 -2,-0.3 3,-0.1 1,-0.3 56,-0.0 0.781 127.4 -65.7 61.5 34.0 -3.1 1.3 -23.1 90 92 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.795 118.6 98.2 58.2 33.4 -3.3 4.7 -24.9 91 93 A Q E < -H 88 0D 74 -3,-1.1 -3,-2.1 -5,-0.0 2,-0.4 -0.888 69.8-126.2-142.0 162.3 -5.9 3.3 -27.3 92 94 A V E -H 87 0D 67 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.986 32.0-176.4-121.5 127.1 -9.8 3.2 -27.6 93 95 A F E -H 86 0D 1 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.3 -0.827 28.7-109.1-123.9 154.1 -11.6 -0.1 -27.9 94 96 A S E -H 85 0D 12 -2,-0.3 4,-0.3 -9,-0.2 -9,-0.2 -0.643 45.8-116.6 -73.2 137.6 -15.1 -1.5 -28.4 95 97 A L E S+H 84 0D 17 -11,-2.6 -11,-0.7 -2,-0.3 2,-0.2 -0.938 88.3 45.1-117.6 146.9 -16.6 -3.2 -25.4 96 98 A P S S- 0 0 34 0, 0.0 2,-0.3 0, 0.0 5,-0.2 0.638 108.0 -93.3 -64.7 174.9 -17.5 -6.1 -24.9 97 99 A I + 0 0 6 74,-0.4 76,-1.6 -2,-0.2 2,-0.2 -0.469 67.2 153.8 -65.7 121.2 -14.4 -7.8 -26.3 98 100 A N B > -n 173 0E 1 -4,-0.3 4,-2.3 -2,-0.3 5,-0.2 -0.699 60.5 -71.2-137.2-175.1 -15.2 -8.6 -30.0 99 101 A L H > S+ 0 0 2 76,-2.2 4,-2.8 74,-0.5 5,-0.2 0.871 131.0 48.2 -55.1 -41.1 -13.6 -9.2 -33.4 100 102 A H H > S+ 0 0 94 75,-0.4 4,-2.6 2,-0.2 5,-0.3 0.941 109.5 51.7 -65.0 -48.7 -12.7 -5.5 -33.7 101 103 A T H > S+ 0 0 1 -5,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.896 115.2 43.6 -50.7 -44.8 -11.2 -5.3 -30.1 102 104 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 6,-0.2 0.947 114.0 47.6 -66.9 -54.4 -9.0 -8.3 -31.0 103 105 A N H <>S+ 0 0 12 -4,-2.8 5,-3.1 1,-0.2 -2,-0.2 0.851 118.9 41.9 -57.5 -35.2 -8.0 -7.2 -34.4 104 106 A Q H ><5S+ 0 0 52 -4,-2.6 3,-0.9 3,-0.2 -1,-0.2 0.865 113.1 53.1 -78.9 -39.4 -7.1 -3.7 -33.0 105 107 A F H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.951 121.2 29.7 -58.5 -53.6 -5.5 -5.1 -29.9 106 108 A F T 3<5S- 0 0 39 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.074 109.0-116.9 -96.6 21.0 -3.1 -7.4 -31.6 107 109 A S T < 5S+ 0 0 114 -3,-0.9 -3,-0.2 1,-0.1 2,-0.2 0.913 71.6 135.1 32.8 62.8 -2.8 -5.2 -34.8 108 110 A K < - 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