==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-DEC-05 2C8V . COMPND 2 MOLECULE: NITROGENASE IRON PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR S.SEN,A.KRISHNAKUMAR,J.MCCLEAD,M.K.JOHNSON,L.C.SEEFELDT, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 1 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 . 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 . 29 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 1 0 0 1 0 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 3 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 A A 0 0 129 0, 0.0 2,-0.3 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 163.0 2.9 27.5 10.0 2 2 A M - 0 0 51 115,-0.1 2,-0.6 119,-0.1 119,-0.2 -0.234 360.0-165.3 -56.6 106.8 5.2 24.5 9.6 3 3 A R E -a 121 0A 55 117,-2.5 119,-1.4 -2,-0.3 2,-0.7 -0.869 11.0-150.2 -89.9 121.9 6.5 24.2 6.2 4 4 A Q E +a 122 0A 18 -2,-0.6 141,-1.9 138,-0.2 140,-1.1 -0.846 20.3 176.8-103.0 115.2 8.0 20.8 5.7 5 5 A C E -ab 123 145A 0 117,-2.2 119,-1.3 -2,-0.7 2,-0.4 -0.760 11.5-159.8-111.6 158.4 10.9 20.6 3.2 6 6 A A E -ab 124 146A 0 139,-1.7 141,-2.0 -2,-0.3 2,-0.6 -0.998 11.5-138.6-144.5 137.1 13.1 17.7 2.1 7 7 A I E +ab 125 147A 1 117,-2.7 119,-1.1 -2,-0.4 2,-0.3 -0.844 28.2 166.8-101.7 120.9 16.5 17.6 0.5 8 8 A Y E + b 0 148A 0 139,-1.9 141,-2.3 -2,-0.6 2,-0.3 -0.792 14.7 112.2-122.0 169.2 17.1 15.1 -2.2 9 9 A G E - b 0 149A 0 118,-1.8 141,-0.1 -2,-0.3 3,-0.1 -0.877 60.2 -44.6 151.6-178.3 19.9 14.7 -4.7 10 10 A K > - 0 0 48 139,-0.7 3,-1.3 -2,-0.3 5,-0.3 -0.202 65.9 -80.4 -78.7 163.7 22.8 12.5 -5.7 11 11 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.1 2,-0.1 116,-0.0 -0.403 109.9 4.3 -67.5 135.7 25.5 10.9 -3.5 12 12 A G T 3 S+ 0 0 85 -2,-0.1 -1,-0.2 -3,-0.1 -2,-0.0 0.528 93.4 114.7 72.3 5.7 28.5 13.2 -2.5 13 13 A I S < S- 0 0 21 -3,-1.3 -2,-0.1 136,-0.1 -1,-0.1 0.634 93.7 -88.2 -84.1 -14.7 27.0 16.4 -4.1 14 14 A G S > S+ 0 0 20 -4,-0.3 4,-2.2 135,-0.1 5,-0.2 0.690 74.8 141.3 122.4 24.2 26.5 18.3 -0.9 15 15 A K H > S+ 0 0 24 -5,-0.3 4,-2.4 1,-0.2 5,-0.1 0.911 79.8 43.1 -64.3 -41.5 23.1 17.6 0.6 16 16 A S H > S+ 0 0 23 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.805 117.4 45.5 -80.0 -27.9 24.2 17.5 4.3 17 17 A T H > S+ 0 0 27 2,-0.2 4,-1.8 3,-0.1 5,-0.2 0.863 117.2 44.5 -75.2 -42.4 26.4 20.7 4.0 18 18 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.966 115.6 48.8 -63.4 -47.7 23.8 22.6 2.0 19 19 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.925 115.0 42.9 -56.4 -53.7 21.0 21.5 4.5 20 20 A Q H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.783 116.6 46.5 -65.8 -31.9 22.9 22.4 7.7 21 21 A N H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.849 113.6 48.4 -80.2 -35.6 24.2 25.7 6.4 22 22 A L H X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.917 113.4 48.2 -62.4 -47.3 20.8 26.7 5.0 23 23 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.902 109.1 53.1 -63.5 -38.8 19.2 25.7 8.4 24 24 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.874 110.0 48.3 -63.2 -37.6 21.9 27.7 10.3 25 25 A A H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.782 110.8 51.2 -69.0 -33.6 21.1 30.8 8.2 26 26 A L H <>S+ 0 0 0 -4,-1.8 5,-1.6 2,-0.2 4,-0.4 0.894 110.8 47.8 -68.9 -45.1 17.3 30.3 8.8 27 27 A A H <5S+ 0 0 14 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.808 107.3 58.4 -63.9 -32.9 18.0 30.0 12.6 28 28 A E H <5S+ 0 0 83 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.821 106.8 46.2 -68.7 -35.0 20.1 33.2 12.5 29 29 A M T <5S- 0 0 81 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.512 130.4 -88.7 -88.3 -4.7 17.3 35.3 11.1 30 30 A G T 5S+ 0 0 53 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.092 78.5 137.3 124.1 -26.1 14.8 34.0 13.5 31 31 A K < - 0 0 64 -5,-1.6 2,-0.6 -6,-0.1 -1,-0.3 -0.163 48.4-132.0 -57.9 145.2 13.1 30.9 12.0 32 32 A K + 0 0 108 86,-0.1 88,-2.6 51,-0.1 89,-1.6 -0.882 35.6 179.3-105.8 122.1 12.6 27.8 14.3 33 33 A V E -c 121 0A 4 -2,-0.6 51,-2.3 87,-0.2 2,-0.4 -0.873 27.7-162.3-131.1 152.7 13.8 24.6 12.7 34 34 A M E -cd 122 84A 0 87,-1.3 89,-2.4 -2,-0.3 2,-0.5 -0.998 12.9-156.1-128.8 130.3 14.1 20.9 13.2 35 35 A I E -cd 123 85A 0 49,-2.8 51,-2.1 -2,-0.4 2,-0.5 -0.934 5.7-167.3-105.2 135.6 16.5 18.8 11.1 36 36 A V E -cd 124 86A 0 87,-2.8 89,-2.1 -2,-0.5 2,-0.5 -0.999 13.4-146.7-121.2 116.6 15.6 15.1 10.9 37 37 A G E -cd 125 87A 0 49,-2.2 51,-2.6 -2,-0.5 52,-0.6 -0.788 15.2-174.8 -90.4 124.1 18.5 13.1 9.4 38 38 A C + 0 0 2 87,-2.2 61,-0.3 -2,-0.5 64,-0.1 -0.181 48.0 107.6-110.8 38.8 17.4 10.1 7.3 39 39 A D S S- 0 0 38 1,-0.1 50,-0.3 2,-0.1 51,-0.2 -0.981 70.5-130.8-125.6 132.1 20.8 8.6 6.6 40 40 A P S S+ 0 0 53 0, 0.0 50,-1.0 0, 0.0 2,-0.8 0.726 102.0 60.7 -43.7 -38.7 22.3 5.4 8.1 41 41 A K S S- 0 0 124 48,-0.2 2,-1.1 51,-0.0 48,-0.1 -0.904 97.9-127.5-100.8 111.5 25.4 7.2 8.9 42 42 A A + 0 0 11 -2,-0.8 12,-0.2 1,-0.2 45,-0.1 -0.534 65.5 123.6 -54.3 90.5 24.4 9.9 11.3 43 43 A D + 0 0 30 -2,-1.1 4,-0.2 -4,-0.2 -1,-0.2 0.201 41.3 89.8-142.4 20.3 25.9 13.0 9.7 44 44 A S S S+ 0 0 0 -5,-0.2 -2,-0.1 1,-0.1 42,-0.0 0.565 97.3 35.2 -92.8 -13.5 23.0 15.4 9.1 45 45 A T S > S+ 0 0 0 2,-0.1 4,-2.5 3,-0.1 3,-0.4 0.382 85.4 99.7-123.4 4.0 23.3 17.1 12.5 46 46 A R H >>S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 5,-0.8 0.818 85.3 45.7 -63.5 -38.2 27.0 17.2 13.2 47 47 A L H 45S+ 0 0 14 2,-0.2 178,-0.6 -4,-0.2 -1,-0.2 0.640 117.9 44.6 -80.1 -21.5 27.8 20.8 12.2 48 48 A I H 45S+ 0 0 0 -3,-0.4 32,-2.5 176,-0.2 -2,-0.2 0.786 124.6 33.0 -86.9 -39.8 24.7 22.1 14.0 49 49 A L H <5S- 0 0 30 -4,-2.5 -2,-0.2 30,-0.2 -3,-0.2 0.608 95.6-134.7 -93.0 -10.6 25.4 20.0 17.2 50 50 A H T <5 + 0 0 73 -4,-1.5 -3,-0.2 173,-0.3 2,-0.2 0.821 58.0 149.0 57.4 33.4 29.2 20.1 17.0 51 51 A S < - 0 0 40 -5,-0.8 -1,-0.2 -6,-0.3 3,-0.2 -0.509 66.2-126.3 -96.9 164.5 28.9 16.4 17.7 52 52 A K S S- 0 0 156 1,-0.4 2,-0.2 -2,-0.2 -1,-0.1 0.818 93.7 -40.8 -72.4 -30.9 31.0 13.5 16.8 53 53 A A S S- 0 0 40 -8,-0.1 -1,-0.4 -7,-0.1 2,-0.2 -0.724 71.6-102.0 170.6 146.5 27.8 12.0 15.4 54 54 A Q - 0 0 12 -2,-0.2 2,-0.8 -12,-0.2 -12,-0.1 -0.613 35.6-106.1 -89.7 147.0 24.3 12.1 17.0 55 55 A N - 0 0 89 -2,-0.2 32,-0.3 19,-0.1 -1,-0.1 -0.624 44.0-136.2 -74.4 108.3 22.7 9.1 18.8 56 56 A T > - 0 0 1 -2,-0.8 3,-1.0 1,-0.1 32,-0.2 -0.033 14.9-126.6 -66.4 158.3 20.1 7.7 16.5 57 57 A I G > S+ 0 0 6 30,-1.8 3,-1.2 31,-0.2 4,-0.4 0.857 115.5 55.8 -70.4 -37.8 16.6 6.4 17.2 58 58 A M G 3 S+ 0 0 44 30,-2.0 -1,-0.2 1,-0.2 34,-0.1 0.081 108.4 47.5 -83.3 20.7 17.6 3.2 15.5 59 59 A E G < S+ 0 0 78 -3,-1.0 -1,-0.2 3,-0.1 -2,-0.2 -0.096 114.7 45.2-141.7 28.1 20.5 2.8 18.0 60 60 A M S < S+ 0 0 30 -3,-1.2 -2,-0.2 3,-0.1 -3,-0.1 0.170 113.5 49.2-146.6 0.1 18.4 3.6 21.0 61 61 A A S >S+ 0 0 28 -4,-0.4 5,-0.8 4,-0.1 -3,-0.1 0.486 120.9 34.1-114.0 -22.5 15.5 1.3 20.0 62 62 A A T 5S+ 0 0 83 3,-0.2 -4,-0.1 -5,-0.2 -3,-0.1 0.680 121.6 49.6 -99.2 -26.8 17.8 -1.8 19.3 63 63 A E T 5S+ 0 0 137 1,-0.2 -3,-0.1 2,-0.0 -2,-0.1 0.922 124.2 30.1 -71.8 -50.4 20.1 -0.8 22.1 64 64 A A T 5S- 0 0 59 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.458 106.2-137.9 -86.3 -3.8 17.3 -0.4 24.5 65 65 A G T 5 + 0 0 58 1,-0.1 -3,-0.2 2,-0.1 -4,-0.1 0.839 44.8 163.8 50.8 46.1 15.4 -3.1 22.5 66 66 A T < - 0 0 39 -5,-0.8 -1,-0.1 1,-0.1 -5,-0.1 -0.069 46.4-167.8 -89.4-177.9 12.1 -1.2 22.6 67 67 A V S S- 0 0 143 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.404 98.1 -16.0-129.4 -50.1 8.7 -1.2 20.9 68 68 A E S S+ 0 0 167 -7,-0.0 2,-0.6 1,-0.0 -2,-0.0 0.133 106.3 109.4-144.9 17.7 7.4 2.1 22.3 69 69 A D + 0 0 142 -8,-0.1 2,-0.3 -5,-0.0 -3,-0.0 -0.413 46.6 102.3-105.4 61.8 9.7 2.8 25.3 70 70 A L - 0 0 30 -2,-0.6 2,-0.2 -3,-0.0 -9,-0.0 -1.000 58.8-126.7-144.7 143.4 12.0 5.7 24.4 71 71 A E > - 0 0 105 -2,-0.3 3,-1.0 1,-0.1 4,-0.1 -0.602 11.7-136.0 -90.9 144.4 12.1 9.4 25.3 72 72 A L G >> S+ 0 0 29 1,-0.3 4,-2.2 -2,-0.2 3,-1.4 0.795 102.7 62.0 -69.4 -31.0 12.2 12.4 22.8 73 73 A E G 34 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.2 -2,-0.0 0.624 95.9 63.9 -71.9 -10.7 14.9 14.3 24.8 74 74 A D G <4 S+ 0 0 65 -3,-1.0 -1,-0.3 1,-0.1 -2,-0.2 0.455 119.3 21.3 -89.3 -4.2 17.2 11.3 24.2 75 75 A V T <4 S+ 0 0 0 -3,-1.4 2,-0.7 1,-0.2 12,-0.4 0.453 111.7 73.1-135.9 -11.8 17.1 11.8 20.4 76 76 A L < + 0 0 22 -4,-2.2 2,-0.4 10,-0.1 10,-0.2 -0.892 60.6 169.1-112.3 100.8 16.1 15.5 20.0 77 77 A K E -E 85 0A 112 8,-1.9 8,-2.2 -2,-0.7 2,-0.3 -0.922 28.7-130.3-111.4 139.5 19.0 17.7 21.0 78 78 A A E +E 84 0A 71 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.672 34.1 161.8 -88.7 141.2 19.2 21.5 20.4 79 79 A G > + 0 0 23 4,-2.8 3,-1.8 1,-0.3 -30,-0.2 -0.233 44.9 1.7-130.2-140.9 22.4 23.0 18.8 80 80 A Y G > S+ 0 0 48 -32,-2.5 3,-2.1 1,-0.3 -1,-0.3 -0.197 130.6 5.9 -55.4 140.4 23.4 26.3 17.0 81 81 A G G 3 S- 0 0 46 1,-0.3 -1,-0.3 -3,-0.1 -51,-0.1 0.635 128.4 -71.7 60.6 18.5 20.7 28.9 16.7 82 82 A G G < S+ 0 0 51 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.647 83.7 167.5 71.8 17.7 18.5 26.7 18.8 83 83 A V < - 0 0 1 -3,-2.1 -4,-2.8 -35,-0.1 2,-0.4 -0.430 31.2-133.5 -69.5 134.5 18.0 24.2 15.9 84 84 A K E -dE 34 78A 58 -51,-2.3 -49,-2.8 -6,-0.2 2,-0.4 -0.737 21.9-157.4 -91.2 135.8 16.5 20.9 17.0 85 85 A C E +dE 35 77A 0 -8,-2.2 -8,-1.9 -2,-0.4 2,-0.4 -0.965 16.4 175.0-129.0 132.8 18.2 17.8 15.8 86 86 A V E -d 36 0A 0 -51,-2.1 -49,-2.2 -2,-0.4 2,-0.4 -0.954 12.5-159.0-130.4 144.7 16.9 14.2 15.3 87 87 A E E -d 37 0A 0 -12,-0.4 -30,-1.8 -2,-0.4 -29,-0.2 -0.991 10.7-179.1-132.0 118.1 18.8 11.4 13.8 88 88 A S + 0 0 0 -51,-2.6 -30,-2.0 -2,-0.4 -31,-0.2 0.955 24.2 174.3 -76.2 -58.4 17.0 8.4 12.4 89 89 A G - 0 0 2 -52,-0.6 -48,-0.2 -50,-0.3 -30,-0.0 -0.120 31.1 -88.0 72.2-178.3 20.0 6.3 11.2 90 90 A G - 0 0 2 -50,-1.0 2,-1.0 -51,-0.2 8,-0.1 -0.543 46.2 -87.0-102.3-177.9 19.8 2.8 9.9 91 91 A P S S+ 0 0 34 0, 0.0 -32,-0.1 0, 0.0 -2,-0.1 -0.428 73.3 162.0 -71.5 52.8 19.9 -0.6 11.5 92 92 A E + 0 0 74 -2,-1.0 4,-0.1 1,-0.2 -33,-0.1 0.832 69.6 27.5 -55.3 -48.2 23.6 0.3 11.0 93 93 A P S S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -34,-0.1 0.706 127.4 59.9 -78.4 -20.9 25.2 -2.2 13.5 94 94 A G S S- 0 0 46 -4,-0.1 2,-0.3 1,-0.1 -4,-0.0 0.151 97.3 -88.2 -81.7-154.1 22.1 -4.4 12.9 95 95 A V S S+ 0 0 142 2,-0.1 2,-0.4 -5,-0.0 -1,-0.1 -0.926 71.7 40.2-128.6 143.1 20.8 -6.0 9.7 96 96 A G S S- 0 0 71 -2,-0.3 2,-0.3 -4,-0.1 -6,-0.0 -0.970 82.0 -42.3 136.9-143.1 18.5 -4.8 6.9 97 97 A C - 0 0 97 -2,-0.4 4,-0.1 1,-0.3 -2,-0.1 -0.890 34.9-135.3-125.7 155.2 17.7 -1.6 5.0 98 98 A A S > S+ 0 0 17 -2,-0.3 2,-1.8 -8,-0.1 3,-1.1 0.693 84.2 78.8 -76.5-113.4 17.4 2.1 6.0 99 99 A G T >> S+ 0 0 6 1,-0.3 3,-1.2 -61,-0.3 4,-0.7 -0.162 98.0 48.4 53.5 -80.2 14.3 3.5 4.2 100 100 A R H 3> S+ 0 0 203 -2,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.664 99.1 70.7 -56.6 -27.2 11.9 1.9 6.8 101 101 A G H <4 S+ 0 0 2 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.776 96.8 50.6 -63.8 -30.2 14.3 3.4 9.5 102 102 A V H X> S+ 0 0 2 -3,-1.2 4,-2.3 1,-0.1 3,-0.7 0.774 107.6 53.7 -75.1 -34.6 12.9 6.9 8.6 103 103 A I H 3X S+ 0 0 41 -4,-0.7 2,-1.7 1,-0.3 4,-1.3 0.963 107.2 49.7 -66.9 -51.0 9.4 5.5 8.9 104 104 A T H 3< S+ 0 0 74 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 -0.288 115.9 47.9 -84.3 52.6 10.1 4.3 12.4 105 105 A A H <> S+ 0 0 0 -2,-1.7 4,-2.0 -3,-0.7 -2,-0.2 0.301 109.7 41.4-153.0 -51.9 11.5 7.7 13.2 106 106 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.1 0.613 115.8 54.9 -82.0 -11.9 9.1 10.4 12.0 107 107 A N H X S+ 0 0 51 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.851 108.1 49.0 -77.4 -42.1 6.3 8.2 13.4 108 108 A F H > S+ 0 0 31 -5,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.932 111.1 49.8 -57.7 -48.6 8.2 8.3 16.7 109 109 A L H X>S+ 0 0 0 -4,-2.0 5,-1.9 1,-0.2 4,-0.5 0.880 110.9 49.2 -60.8 -40.4 8.5 12.1 16.4 110 110 A E H ><5S+ 0 0 77 -4,-1.3 3,-0.7 3,-0.2 -1,-0.2 0.917 113.4 46.2 -61.1 -48.4 4.7 12.4 15.7 111 111 A E H 3<5S+ 0 0 137 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.826 113.8 48.1 -65.4 -36.0 3.8 10.2 18.7 112 112 A E H 3<5S- 0 0 82 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.480 115.1-115.5 -85.7 -5.0 6.2 12.0 21.1 113 113 A G T <<5 + 0 0 53 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.986 62.1 147.6 69.4 63.4 4.9 15.4 19.9 114 114 A A < + 0 0 1 -5,-1.9 2,-1.8 1,-0.1 -4,-0.1 0.651 52.6 82.1 -96.4 -22.7 8.0 16.9 18.3 115 115 A Y S S- 0 0 52 -6,-0.4 -1,-0.1 -5,-0.1 2,-0.1 -0.538 73.4-179.5 -85.3 74.5 6.1 19.0 15.7 116 116 A E > - 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