==== 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 OXIDOREDUCTASE 15-DEC-03 1RW4 . COMPND 2 MOLECULE: NITROGENASE IRON PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII; . AUTHOR S.SEN,R.IGARASHI,A.SMITH,M.K.JOHNSON,L.C.SEEFELDT,J.W.PETERS . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12575.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.5 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 . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.6 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 3 0 0 1 1 0 1 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 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 1 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 1 A A 0 0 140 0, 0.0 2,-0.2 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 175.3 2.6 28.0 10.1 2 2 A M - 0 0 54 115,-0.2 2,-0.3 117,-0.2 119,-0.2 -0.136 360.0-160.8 -51.6 101.1 5.0 24.9 10.2 3 3 A R E -a 121 0A 60 117,-2.6 119,-1.7 -2,-0.2 2,-0.6 -0.628 6.6-145.3 -79.3 141.8 6.3 24.4 6.7 4 4 A Q E +a 122 0A 18 -2,-0.3 140,-1.5 117,-0.2 141,-1.2 -0.961 22.1 177.9-115.6 116.2 7.7 21.0 6.1 5 5 A C E -ab 123 145A 0 117,-2.9 119,-1.2 -2,-0.6 2,-0.3 -0.792 11.0-161.0-112.5 158.1 10.6 20.9 3.6 6 6 A A E -ab 124 146A 0 139,-0.8 141,-2.2 -2,-0.3 2,-0.7 -0.974 9.3-145.9-146.1 129.3 12.7 17.9 2.5 7 7 A I E +ab 125 147A 1 117,-2.6 119,-1.2 -2,-0.3 2,-0.2 -0.824 24.5 170.7-102.2 111.2 16.1 17.9 0.8 8 8 A Y E + b 0 148A 0 139,-2.1 141,-2.7 -2,-0.7 2,-0.2 -0.661 19.0 110.4-110.4 170.3 16.7 15.2 -1.7 9 9 A G E - b 0 149A 1 118,-1.9 141,-0.2 139,-0.2 120,-0.1 -0.791 64.8 -63.6 145.7 172.2 19.7 14.7 -4.1 10 10 A K > - 0 0 40 139,-0.5 3,-0.6 -2,-0.2 5,-0.4 -0.430 52.2 -99.1 -87.4 169.6 22.6 12.2 -4.4 11 11 A G T 3 S+ 0 0 24 1,-0.2 -1,-0.1 2,-0.1 116,-0.0 -0.242 96.5 38.4 -80.0 163.6 25.5 11.6 -2.0 12 12 A G T 3 S+ 0 0 87 1,-0.1 -1,-0.2 -2,-0.0 -2,-0.0 0.376 89.5 92.7 78.1 -7.8 29.0 13.0 -2.3 13 13 A I S < S- 0 0 23 -3,-0.6 -2,-0.1 136,-0.1 -1,-0.1 0.427 103.7-103.4 -97.1 -0.4 27.8 16.5 -3.6 14 14 A G >> + 0 0 34 -4,-0.1 4,-2.3 3,-0.1 3,-1.0 0.596 69.0 148.6 94.9 12.1 27.7 18.1 -0.2 15 15 A K H 3> S+ 0 0 20 -5,-0.4 4,-2.5 1,-0.3 5,-0.1 0.833 71.9 51.0 -45.2 -42.3 23.9 18.1 0.2 16 16 A S H 3> S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.831 108.1 51.2 -73.7 -29.6 24.1 17.7 4.0 17 17 A T H <> S+ 0 0 22 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.940 112.1 48.2 -71.2 -42.4 26.6 20.7 4.4 18 18 A T H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.939 110.2 51.8 -59.2 -47.7 24.2 22.9 2.3 19 19 A T H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.929 113.7 43.4 -53.4 -47.8 21.2 21.7 4.4 20 20 A Q H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.860 113.7 49.5 -69.8 -37.1 22.9 22.6 7.7 21 21 A N H X S+ 0 0 1 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.852 113.1 46.6 -72.0 -37.7 24.2 25.9 6.5 22 22 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 2,-0.2 3,-0.3 0.936 113.3 50.4 -65.2 -47.7 20.8 26.9 5.2 23 23 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.867 111.6 48.4 -59.9 -37.4 19.2 25.7 8.5 24 24 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.800 108.8 52.1 -70.5 -32.3 21.7 27.8 10.4 25 25 A A H X S+ 0 0 0 -4,-1.3 4,-0.7 -3,-0.3 -2,-0.2 0.826 111.1 48.5 -74.2 -30.3 21.1 30.8 8.2 26 26 A L H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 3,-0.4 0.861 110.0 51.3 -70.2 -43.6 17.3 30.4 9.0 27 27 A A H ><5S+ 0 0 13 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.879 107.5 55.7 -55.4 -42.4 18.1 30.1 12.8 28 28 A E H 3<5S+ 0 0 75 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.746 104.6 49.9 -66.8 -30.9 20.0 33.2 12.6 29 29 A M T 3<5S- 0 0 76 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.412 130.6 -86.0 -93.2 5.4 17.2 35.4 11.1 30 30 A G T < 5S+ 0 0 57 -3,-0.9 -3,-0.2 -4,-0.3 -2,-0.1 0.160 82.4 137.1 117.0 -18.9 14.7 34.3 13.8 31 31 A K < - 0 0 61 -5,-1.9 2,-0.6 -6,-0.1 -1,-0.3 -0.188 47.1-135.4 -63.7 148.2 13.3 31.0 12.4 32 32 A K + 0 0 111 86,-0.3 88,-1.9 51,-0.0 89,-1.9 -0.920 33.5 178.8-110.0 117.9 12.7 27.9 14.5 33 33 A V E -c 121 0A 2 -2,-0.6 51,-2.3 87,-0.2 2,-0.3 -0.811 27.4-163.4-126.4 155.5 13.9 24.7 12.9 34 34 A M E -cd 122 84A 0 87,-1.2 89,-2.5 -2,-0.3 2,-0.5 -0.982 14.2-152.5-129.5 134.7 14.2 21.0 13.4 35 35 A I E -cd 123 85A 0 49,-2.7 51,-2.1 -2,-0.3 2,-0.5 -0.955 8.1-166.9-108.0 135.1 16.5 18.9 11.2 36 36 A V E -cd 124 86A 0 87,-2.7 89,-2.0 -2,-0.5 2,-0.8 -0.971 12.8-145.4-124.9 106.3 15.5 15.3 10.9 37 37 A G E +cd 125 87A 0 49,-2.7 51,-1.2 -2,-0.5 52,-0.6 -0.690 24.3 171.0 -81.0 107.0 18.2 13.0 9.3 38 38 A C + 0 0 0 87,-1.1 -1,-0.1 -2,-0.8 64,-0.1 -0.142 41.5 120.6-106.4 33.4 16.6 10.3 7.2 39 39 A D - 0 0 8 1,-0.1 51,-0.5 87,-0.1 49,-0.2 -0.916 62.5-144.4-110.8 124.1 20.0 9.3 5.8 40 40 A P S S+ 0 0 47 0, 0.0 2,-1.4 0, 0.0 50,-0.6 0.853 107.9 55.0 -49.7 -43.9 21.5 5.7 6.2 41 41 A K S S- 0 0 130 48,-0.1 2,-1.1 -3,-0.1 3,-0.1 -0.801 100.3-150.2 -88.1 85.4 24.8 7.3 6.6 42 42 A A + 0 0 22 -2,-1.4 12,-0.4 1,-0.2 45,-0.1 -0.568 52.6 119.8 -71.2 97.4 23.4 9.4 9.4 43 43 A D > + 0 0 48 -2,-1.1 3,-0.6 10,-0.1 4,-0.2 0.232 25.4 113.2-145.5 14.3 25.4 12.7 9.3 44 44 A S T 3 S+ 0 0 0 1,-0.2 42,-0.1 81,-0.1 -2,-0.1 0.323 82.3 41.6 -71.1 3.8 22.9 15.6 8.7 45 45 A T T 3> S+ 0 0 0 2,-0.1 4,-2.6 3,-0.1 3,-0.5 0.429 75.2 98.4-136.3 3.1 23.4 17.3 12.2 46 46 A R H <>>S+ 0 0 103 -3,-0.6 4,-2.0 1,-0.2 5,-1.2 0.769 86.7 52.6 -67.9 -29.3 27.1 17.3 13.3 47 47 A L H 45S+ 0 0 11 -4,-0.2 178,-0.4 2,-0.2 -1,-0.2 0.713 115.8 39.3 -77.2 -25.9 27.6 20.9 12.1 48 48 A I H 45S+ 0 0 0 -3,-0.5 32,-2.1 176,-0.2 -2,-0.2 0.780 127.4 35.8 -89.2 -37.7 24.6 22.2 14.1 49 49 A L H <5S- 0 0 32 -4,-2.6 -2,-0.2 30,-0.2 -3,-0.2 0.714 98.8-130.5 -87.9 -18.4 25.4 20.0 17.1 50 50 A H T <5 + 0 0 76 -4,-2.0 2,-0.2 173,-0.4 -3,-0.2 0.848 56.6 162.1 64.0 42.0 29.3 20.0 16.9 51 51 A S < - 0 0 29 -5,-1.2 -1,-0.2 -6,-0.2 3,-0.2 -0.575 59.8-145.4-100.1 148.8 29.0 16.3 17.1 52 52 A K S S- 0 0 177 1,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.758 95.1 -38.4 -71.0 -31.4 31.3 13.3 16.4 53 53 A A - 0 0 55 -8,-0.1 2,-0.5 -7,-0.1 -1,-0.5 -0.797 65.4-114.9 175.4 153.1 28.0 11.7 15.4 54 54 A Q - 0 0 17 -12,-0.4 2,-0.1 -2,-0.2 -10,-0.1 -0.930 33.7-111.8-108.4 130.0 24.5 11.9 16.8 55 55 A N - 0 0 77 -2,-0.5 32,-0.5 1,-0.1 2,-0.1 -0.337 38.0-131.9 -60.4 129.0 22.9 8.8 18.2 56 56 A T >> - 0 0 11 30,-0.1 4,-1.9 32,-0.1 3,-1.2 -0.356 13.1-126.2 -87.3 160.6 20.0 7.5 16.0 57 57 A I T 34 S+ 0 0 7 30,-1.4 4,-0.5 1,-0.3 31,-0.2 0.913 116.1 52.8 -67.2 -41.5 16.4 6.4 16.8 58 58 A M T 34 S+ 0 0 39 30,-0.5 -1,-0.3 1,-0.2 30,-0.1 0.046 114.6 41.9 -80.3 19.1 17.2 3.2 15.0 59 59 A E T <> S+ 0 0 64 -3,-1.2 4,-0.6 34,-0.1 -2,-0.2 0.381 112.9 49.3-133.2 -27.2 20.3 2.7 17.2 60 60 A M H X S+ 0 0 38 -4,-1.9 4,-0.5 3,-0.1 -2,-0.2 0.404 111.6 56.6 -87.7 0.3 18.8 3.7 20.5 61 61 A A H 4>S+ 0 0 18 -4,-0.5 5,-0.7 2,-0.2 4,-0.4 0.915 109.8 36.4 -91.6 -62.8 15.9 1.3 19.7 62 62 A A H 45S+ 0 0 87 3,-0.2 -2,-0.1 2,-0.2 -4,-0.1 0.758 115.5 60.4 -62.0 -26.4 17.6 -2.0 19.1 63 63 A E H <5S+ 0 0 142 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.935 117.9 27.5 -65.3 -50.8 20.0 -1.0 21.9 64 64 A A T <5S- 0 0 64 -4,-0.5 -1,-0.2 -3,-0.1 -2,-0.2 0.297 110.8-128.9 -93.2 8.8 17.2 -0.8 24.4 65 65 A G T 5 - 0 0 55 -4,-0.4 -3,-0.2 1,-0.1 2,-0.2 0.931 43.9-172.0 39.2 79.4 15.2 -3.4 22.3 66 66 A T < + 0 0 48 -5,-0.7 -1,-0.1 1,-0.1 -5,-0.1 -0.534 48.4 170.1-109.2 171.3 12.0 -1.5 22.0 67 67 A V S S- 0 0 131 -2,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.398 102.7 -18.6-131.2 -49.7 8.4 -1.6 20.9 68 68 A E S S+ 0 0 168 40,-0.0 -2,-0.0 0, 0.0 0, 0.0 -0.304 109.7 110.7-163.7 53.8 7.2 1.7 22.4 69 69 A D + 0 0 102 2,-0.1 2,-0.3 -8,-0.0 -5,-0.0 -0.170 43.6 90.0-144.0 45.2 10.0 2.3 25.0 70 70 A L - 0 0 38 38,-0.0 2,-0.2 -3,-0.0 -9,-0.1 -0.935 59.3-127.6-134.9 160.8 12.3 5.2 24.2 71 71 A E > - 0 0 106 -2,-0.3 3,-0.6 1,-0.1 4,-0.1 -0.725 15.5-122.1-112.6 161.0 12.2 9.0 25.0 72 72 A L G >> S+ 0 0 33 -2,-0.2 4,-2.4 1,-0.2 3,-2.1 0.920 108.3 51.7 -65.9 -49.7 12.4 12.2 23.0 73 73 A E G 34 S+ 0 0 115 1,-0.3 -1,-0.2 2,-0.2 0, 0.0 0.443 97.4 69.8 -73.5 4.5 15.3 13.8 24.7 74 74 A D G <4 S+ 0 0 71 -3,-0.6 -1,-0.3 1,-0.0 -2,-0.2 0.547 119.9 15.6 -88.7 -9.7 17.3 10.7 24.2 75 75 A V T <4 S+ 0 0 3 -3,-2.1 2,-0.8 1,-0.1 12,-0.5 0.530 111.0 72.8-137.7 -22.3 17.2 11.5 20.4 76 76 A L < + 0 0 12 -4,-2.4 2,-0.3 10,-0.1 10,-0.2 -0.821 58.9 172.4-109.0 98.4 16.3 15.2 19.8 77 77 A K E -E 85 0A 120 8,-2.0 8,-3.1 -2,-0.8 2,-0.2 -0.837 25.4-127.6-108.7 145.0 19.1 17.5 20.8 78 78 A A E +E 84 0A 68 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.518 33.4 158.5 -89.6 155.5 19.5 21.3 20.3 79 79 A G > + 0 0 24 4,-2.3 3,-2.1 1,-0.4 -30,-0.2 -0.420 44.7 9.8-145.5-142.3 22.4 23.1 18.7 80 80 A Y G > S- 0 0 49 -32,-2.1 3,-2.1 1,-0.3 -1,-0.4 -0.147 130.2 -1.5 -52.9 137.9 23.4 26.3 16.9 81 81 A G G 3 S- 0 0 48 1,-0.3 -1,-0.3 -3,-0.1 -51,-0.1 0.635 127.9 -67.4 57.8 20.0 20.7 29.0 17.0 82 82 A G G < S+ 0 0 48 -3,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.789 84.2 163.2 72.2 27.9 18.4 26.6 18.9 83 83 A V < - 0 0 1 -3,-2.1 -4,-2.3 -4,-0.2 2,-0.5 -0.639 34.1-132.1 -80.7 137.5 18.0 24.2 16.0 84 84 A K E -dE 34 78A 63 -51,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.817 21.1-153.9 -98.5 130.3 16.7 20.8 17.1 85 85 A C E +dE 35 77A 0 -8,-3.1 -8,-2.0 -2,-0.5 2,-0.4 -0.869 16.9 173.4-116.3 131.8 18.4 17.7 15.8 86 86 A V E -d 36 0A 0 -51,-2.1 -49,-2.7 -2,-0.4 2,-0.3 -0.983 10.0-164.3-128.6 138.3 17.2 14.2 15.2 87 87 A E E +d 37 0A 0 -32,-0.5 -30,-1.4 -12,-0.5 -49,-0.1 -0.901 23.1 146.6-114.7 154.4 19.0 11.3 13.5 88 88 A S + 0 0 0 -51,-1.2 -30,-0.5 -2,-0.3 -50,-0.2 0.247 32.3 96.0-141.3 -89.6 17.3 8.1 12.4 89 89 A G + 0 0 0 -52,-0.6 12,-0.2 9,-0.1 -48,-0.1 0.041 58.5 72.2 38.1-105.0 18.5 6.1 9.3 90 90 A G - 0 0 4 -50,-0.6 4,-0.1 -51,-0.5 8,-0.1 -0.224 48.3-156.2 -61.4 127.7 20.8 3.2 9.7 91 91 A P > + 0 0 28 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.702 52.7 164.8 -50.5 -27.1 20.3 -0.3 11.0 92 92 A E T 3 + 0 0 120 1,-0.4 3,-0.1 -52,-0.2 -2,-0.1 -0.187 64.9 21.4 -46.8 118.1 24.1 0.1 11.6 93 93 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.4 0, 0.0 -34,-0.1 -0.922 127.3 55.8 -74.0 -28.6 25.3 -1.9 13.5 94 94 A G S < S- 0 0 51 -3,-1.4 2,-0.0 -4,-0.1 -32,-0.0 0.091 85.8-101.0 -59.7 173.6 22.3 -4.4 12.9 95 95 A V + 0 0 148 -3,-0.1 2,-0.3 -5,-0.1 -1,-0.1 -0.132 69.9 61.1 -86.2-178.1 21.1 -5.8 9.5 96 96 A G S S- 0 0 77 -6,-0.0 2,-0.3 -2,-0.0 -6,-0.0 -0.797 86.2 -44.1 108.7-143.9 18.1 -4.9 7.1 97 97 A C - 0 0 89 -2,-0.3 4,-0.2 1,-0.1 0, 0.0 -0.851 28.8-145.2-124.2 163.8 17.3 -1.6 5.3 98 98 A A S S+ 0 0 11 -2,-0.3 -9,-0.1 2,-0.1 4,-0.1 0.549 89.1 76.5-103.5 -11.9 17.4 2.0 6.4 99 99 A G S > S+ 0 0 4 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.834 98.6 45.0 -65.7 -37.2 14.4 3.2 4.4 100 100 A R G >> S+ 0 0 202 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.760 100.7 70.4 -75.5 -28.7 12.0 1.6 6.8 101 101 A G G 34 S+ 0 0 1 1,-0.3 -1,-0.2 -12,-0.2 -2,-0.2 0.466 92.2 59.5 -66.8 -4.6 14.0 3.1 9.6 102 102 A V G X> S+ 0 0 0 -3,-0.7 4,-1.9 31,-0.2 3,-0.6 0.698 105.9 45.9 -92.3 -31.3 12.7 6.5 8.5 103 103 A I H <> S+ 0 0 44 -3,-1.1 4,-1.2 -4,-0.3 2,-0.9 0.924 109.4 54.4 -81.1 -41.4 9.1 5.4 9.1 104 104 A T H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.150 116.5 41.8 -82.7 44.7 10.0 3.8 12.5 105 105 A A H <> S+ 0 0 0 -2,-0.9 4,-1.9 -3,-0.6 -2,-0.2 0.425 109.5 46.1-154.8 -52.0 11.4 7.2 13.5 106 106 A I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.1 0.691 113.3 56.9 -77.1 -16.1 9.3 10.1 12.3 107 107 A N H X S+ 0 0 60 -4,-1.2 4,-2.3 -5,-0.2 5,-0.2 0.897 104.8 50.4 -73.0 -41.3 6.4 8.0 13.8 108 108 A F H > S+ 0 0 36 1,-0.2 4,-1.6 -5,-0.2 -2,-0.2 0.943 111.4 49.9 -54.5 -49.2 8.3 8.0 17.1 109 109 A L H X>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.6 0.827 110.2 47.5 -61.9 -39.4 8.5 11.8 16.7 110 110 A E H ><5S+ 0 0 60 -4,-1.8 3,-0.9 2,-0.2 -1,-0.2 0.933 115.4 44.4 -67.0 -47.6 4.8 12.4 15.9 111 111 A E H 3<5S+ 0 0 157 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.706 114.0 52.6 -68.8 -22.6 3.7 10.3 18.8 112 112 A E H 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.521 111.9-121.4 -88.7 -14.2 6.3 11.9 21.0 113 113 A G T <<5 + 0 0 49 -3,-0.9 3,-0.5 -4,-0.6 -3,-0.2 0.817 60.9 143.1 79.9 39.0 5.2 15.5 20.1 114 114 A A < + 0 0 1 -5,-2.0 -4,-0.1 1,-0.2 -5,-0.1 0.620 56.3 80.4 -84.4 -9.6 8.2 17.2 18.6 115 115 A Y S S+ 0 0 40 -6,-0.3 -1,-0.2 -5,-0.2 -113,-0.1 0.028 72.5 170.0 -86.9 29.0 6.2 19.1 16.0 116 116 A E > - 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