==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-NOV-10 3PNI . COMPND 2 MOLECULE: FERREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR M.N.LOEVGREEN,H.E.M.CHRISTENSEN,P.HARRIS . 132 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 70 53.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 18.2 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 1.5 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 . 5 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 22.7 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+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 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 51 0, 0.0 65,-1.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.0 20.9 17.3 3.4 2 2 A W E -AB 40 65A 46 38,-2.6 38,-1.2 63,-0.2 2,-0.3 -0.883 360.0-162.6-134.1 102.8 18.9 16.3 6.5 3 3 A K E - B 0 64A 96 61,-0.6 61,-1.2 -2,-0.4 2,-0.3 -0.668 14.3-150.9 -79.1 136.6 17.7 12.7 6.6 4 4 A V E + B 0 63A 2 33,-0.3 2,-0.3 -2,-0.3 59,-0.2 -0.835 16.0 179.2-109.8 151.2 14.8 12.2 9.2 5 5 A S E - B 0 62A 48 57,-2.4 57,-2.3 -2,-0.3 2,-0.3 -0.963 16.3-152.5-148.4 163.7 14.0 9.0 11.2 6 6 A V E - B 0 61A 13 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.913 24.4-125.2-146.6 110.2 11.4 7.8 13.8 7 7 A D > - 0 0 69 53,-2.0 4,-1.6 -2,-0.3 3,-0.2 -0.389 20.8-150.2 -61.8 117.4 12.0 5.0 16.3 8 8 A Q T 4 S+ 0 0 71 -2,-0.3 -1,-0.2 1,-0.2 52,-0.0 0.578 91.3 47.9 -66.4 -12.8 9.1 2.7 15.6 9 9 A D T 4 S+ 0 0 134 1,-0.1 -1,-0.2 51,-0.1 -2,-0.1 0.794 108.3 51.2 -98.1 -37.7 8.9 1.5 19.3 10 10 A T T 4 S+ 0 0 54 -3,-0.2 -2,-0.2 50,-0.1 -1,-0.1 0.889 92.4 95.3 -65.9 -38.5 9.0 4.8 21.0 11 11 A C < - 0 0 15 -4,-1.6 -5,-0.0 49,-0.1 45,-0.0 -0.216 47.0-177.7 -66.5 141.5 6.2 6.2 18.8 12 12 A I - 0 0 111 20,-0.0 -1,-0.1 0, 0.0 20,-0.1 0.228 51.2-104.3-119.2 8.1 2.6 6.0 20.1 13 13 A G + 0 0 25 1,-0.0 19,-0.1 20,-0.0 -2,-0.1 0.753 70.0 146.5 64.5 24.7 0.6 7.5 17.2 14 14 A C - 0 0 64 1,-0.1 18,-0.1 19,-0.0 -1,-0.0 0.920 42.6-153.9 -52.5 -51.0 0.1 10.8 19.1 15 15 A A > + 0 0 37 16,-0.0 4,-1.6 4,-0.0 -1,-0.1 0.570 52.8 129.5 89.5 17.3 0.2 12.5 15.7 16 16 A I T 4 S+ 0 0 57 1,-0.2 5,-0.3 2,-0.2 40,-0.0 0.856 77.8 57.1 -60.1 -34.4 1.5 16.1 16.4 17 17 A C T > S+ 0 0 10 1,-0.2 4,-1.8 3,-0.1 8,-0.3 0.935 102.1 49.0 -65.3 -50.3 4.0 15.4 13.7 18 18 A A T 4 S+ 0 0 27 2,-0.2 -1,-0.2 6,-0.1 -2,-0.2 0.882 116.5 48.7 -65.1 -37.9 1.6 14.6 10.8 19 19 A S T < S+ 0 0 59 -4,-1.6 2,-4.1 1,-0.1 6,-0.1 -0.172 116.5 31.4 -66.9-175.6 -0.3 17.7 11.8 20 20 A L T 4 S+ 0 0 77 1,-0.1 -2,-0.2 76,-0.1 -3,-0.1 -0.117 133.9 27.5 71.5 -56.2 2.2 20.5 12.1 21 21 A a X + 0 0 0 -2,-4.1 4,-1.4 -4,-1.8 -1,-0.1 -0.733 69.2 158.6-148.5 83.6 4.6 19.2 9.5 22 22 A P T 4 + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.688 67.0 63.9 -93.0 -26.7 2.7 17.1 6.8 23 23 A D T 4 S+ 0 0 100 1,-0.1 13,-0.1 22,-0.0 3,-0.1 0.768 116.7 35.3 -61.0 -25.4 5.0 17.2 3.8 24 24 A V T 4 S+ 0 0 0 1,-0.2 12,-2.4 -7,-0.2 13,-0.7 0.848 113.0 46.8-101.1 -46.5 7.5 15.3 6.0 25 25 A F E < -C 35 0B 2 -4,-1.4 2,-0.4 -8,-0.3 -1,-0.2 -0.929 59.3-179.7-117.1 122.6 5.7 12.9 8.5 26 26 A E E -C 34 0B 60 8,-4.6 8,-1.3 -2,-0.5 2,-0.6 -0.934 31.2-114.3-128.3 136.7 3.0 10.5 7.4 27 27 A M E -C 33 0B 72 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.578 35.6-144.5 -78.6 113.1 1.0 7.9 9.4 28 28 A N > - 0 0 15 4,-2.2 3,-1.7 -2,-0.6 4,-0.1 0.001 36.4 -78.7 -70.1 176.8 1.8 4.3 8.4 29 29 A D T 3 S+ 0 0 167 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.609 130.2 43.6 -48.1 -22.2 -0.5 1.2 8.2 30 30 A E T 3 S- 0 0 119 2,-0.2 -1,-0.3 3,-0.0 -2,-0.1 -0.205 119.3 -98.9-126.2 37.2 -0.2 0.8 12.0 31 31 A G S < S+ 0 0 34 -3,-1.7 2,-0.4 1,-0.2 -2,-0.1 0.788 82.4 122.3 51.4 41.4 -0.6 4.3 13.4 32 32 A K - 0 0 62 -4,-0.1 -4,-2.2 -20,-0.1 -2,-0.2 -0.992 66.7-105.9-128.0 135.2 3.0 5.2 13.9 33 33 A A E +C 27 0B 3 -2,-0.4 -6,-0.2 -6,-0.2 -22,-0.1 -0.194 40.0 173.3 -55.8 148.7 4.6 8.1 12.2 34 34 A Q E -C 26 0B 75 -8,-1.3 -8,-4.6 -29,-0.1 2,-0.2 -0.955 33.2-104.4-146.1 158.3 7.0 7.7 9.3 35 35 A P E -C 25 0B 26 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.539 9.9-150.3 -80.3 154.6 8.6 10.2 6.9 36 36 A K S S+ 0 0 105 -12,-2.4 2,-0.4 -2,-0.2 -11,-0.1 0.477 84.5 55.4 -90.2 -9.9 7.3 10.7 3.3 37 37 A V - 0 0 44 -13,-0.7 -33,-0.3 1,-0.1 3,-0.1 -0.948 60.8-157.9-131.2 142.2 10.9 11.7 2.3 38 38 A E S S+ 0 0 124 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.608 90.4 26.2 -93.4 -14.3 14.2 9.9 2.6 39 39 A V - 0 0 83 -36,-0.1 2,-0.4 -38,-0.0 -1,-0.2 -0.986 63.9-162.5-142.8 141.1 16.0 13.3 2.4 40 40 A I B +A 2 0A 5 -38,-1.2 -38,-2.6 -2,-0.3 3,-0.0 -0.986 22.5 155.3-116.5 138.5 15.0 16.8 3.2 41 41 A E + 0 0 137 -2,-0.4 2,-0.2 -40,-0.2 -1,-0.1 0.450 47.8 95.4-130.6 -22.5 17.1 19.6 1.7 42 42 A D > - 0 0 97 1,-0.2 4,-1.9 -40,-0.1 -40,-0.0 -0.551 67.5-147.2 -67.9 134.6 14.5 22.5 1.7 43 43 A E H > S+ 0 0 90 -2,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.841 95.8 55.2 -76.0 -34.0 15.1 24.5 4.8 44 44 A E H > S+ 0 0 68 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.820 109.6 48.7 -71.0 -25.8 11.5 25.4 5.4 45 45 A L H > S+ 0 0 47 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.925 111.4 50.6 -69.2 -47.3 10.7 21.7 5.3 46 46 A Y H >X S+ 0 0 38 -4,-1.9 4,-2.0 2,-0.2 3,-0.8 0.963 105.7 55.1 -51.1 -60.0 13.5 21.1 7.7 47 47 A N H >X S+ 0 0 8 -4,-3.2 4,-2.7 1,-0.3 3,-0.5 0.889 109.2 48.0 -38.0 -55.6 12.2 23.9 10.1 48 48 A a H 3X S+ 0 0 6 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.864 112.2 49.7 -59.8 -33.6 8.8 22.1 10.2 49 49 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 3,-0.7 0.905 109.6 49.9 -55.0 -49.1 7.9 18.3 15.1 53 53 A M H 3< S+ 0 0 56 -4,-1.4 8,-0.2 1,-0.3 -2,-0.2 0.923 108.5 50.7 -59.0 -50.6 10.9 16.8 16.9 54 54 A E H 3< S+ 0 0 115 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.637 119.1 43.1 -60.4 -17.2 10.9 19.5 19.7 55 55 A A H << S+ 0 0 46 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.777 76.6 111.3-101.3 -37.5 7.2 18.7 20.0 56 56 A C >< - 0 0 19 -4,-2.6 3,-1.1 1,-0.1 5,-0.1 -0.255 62.0-141.2 -53.6 120.9 6.7 14.9 19.9 57 57 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.862 102.4 33.9 -48.6 -54.2 5.6 13.9 23.4 58 58 A V T 3 S- 0 0 53 -48,-0.0 -2,-0.1 0, 0.0 -47,-0.0 0.383 105.5-134.3 -84.6 1.5 7.6 10.6 23.5 59 59 A S < + 0 0 83 -3,-1.1 -6,-0.1 1,-0.1 -5,-0.1 0.917 52.4 146.4 46.1 79.7 10.4 12.3 21.4 60 60 A A + 0 0 7 -7,-0.1 -53,-2.0 -50,-0.1 2,-0.6 0.219 38.5 102.8-128.5 2.5 11.0 9.5 18.8 61 61 A I E +B 6 0A 12 -55,-0.2 2,-0.4 -8,-0.2 -55,-0.2 -0.835 47.3 179.5 -88.7 121.6 11.8 11.9 16.0 62 62 A T E -B 5 0A 69 -57,-2.3 -57,-2.4 -2,-0.6 2,-0.2 -0.999 9.1-162.6-121.2 124.2 15.5 12.1 15.3 63 63 A I E -B 4 0A 35 -2,-0.4 2,-0.3 -59,-0.2 -59,-0.2 -0.647 13.0-161.8 -97.7 166.8 16.8 14.4 12.5 64 64 A E E -B 3 0A 115 -61,-1.2 -61,-0.6 -2,-0.2 2,-0.4 -0.987 8.2-147.9-154.0 150.8 20.3 13.9 11.1 65 65 A E E B 2 0A 133 -2,-0.3 -63,-0.2 -63,-0.2 -2,-0.0 -0.974 360.0 360.0-132.3 141.4 22.9 15.7 9.1 66 66 A A 0 0 135 -65,-1.0 -2,-0.0 -2,-0.4 -63,-0.0 -0.952 360.0 360.0-138.1 360.0 25.7 14.8 6.7 67 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 1 B A 0 0 49 0, 0.0 65,-1.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 106.2 25.5 42.6 3.4 69 2 B W E -DE 107 132C 46 38,-3.1 38,-1.0 63,-0.2 2,-0.3 -0.895 360.0-162.1-129.5 103.3 23.4 41.6 6.4 70 3 B K E - E 0 131C 84 61,-0.6 61,-1.1 -2,-0.4 2,-0.3 -0.662 14.3-151.5 -79.7 136.5 22.1 38.1 6.6 71 4 B V E + E 0 130C 2 -2,-0.3 2,-0.3 33,-0.3 59,-0.2 -0.800 15.9 178.7-110.0 153.9 19.3 37.7 9.1 72 5 B S E - E 0 129C 47 57,-2.0 57,-2.4 -2,-0.3 2,-0.3 -0.971 16.9-152.9-151.4 161.1 18.3 34.5 11.1 73 6 B V E - E 0 128C 16 -2,-0.3 2,-0.3 55,-0.2 55,-0.2 -0.913 24.4-125.6-144.6 110.9 15.8 33.3 13.7 74 7 B D > - 0 0 69 53,-1.8 4,-1.7 -2,-0.3 3,-0.1 -0.382 21.4-149.6 -58.1 116.0 16.3 30.5 16.3 75 8 B Q T 4 S+ 0 0 15 -2,-0.3 -1,-0.2 1,-0.2 52,-0.0 0.605 91.2 47.7 -67.7 -12.7 13.3 28.3 15.6 76 9 B D T 4 S+ 0 0 61 1,-0.1 -1,-0.2 51,-0.1 -2,-0.1 0.796 108.3 52.0 -97.7 -36.1 13.1 27.0 19.2 77 10 B T T 4 S+ 0 0 53 -3,-0.1 -2,-0.2 50,-0.1 -1,-0.1 0.889 92.2 94.3 -66.0 -38.4 13.4 30.3 20.9 78 11 B C < - 0 0 14 -4,-1.7 -5,-0.0 49,-0.1 45,-0.0 -0.273 47.4-178.0 -66.9 140.1 10.5 31.8 18.8 79 12 B I - 0 0 115 -2,-0.0 -1,-0.1 20,-0.0 20,-0.1 0.234 47.6-109.4-117.0 5.0 6.9 31.8 20.2 80 13 B G + 0 0 23 1,-0.1 19,-0.1 20,-0.0 -2,-0.1 0.726 69.6 141.7 67.8 22.6 5.0 33.4 17.3 81 14 B C - 0 0 54 1,-0.1 18,-0.1 19,-0.0 -1,-0.1 0.858 49.2-149.9 -66.5 -31.3 4.2 36.6 19.2 82 15 B A > + 0 0 34 16,-0.1 4,-1.6 1,-0.1 -1,-0.1 0.616 52.8 135.2 82.1 22.2 4.8 38.4 15.8 83 16 B I T 4 S+ 0 0 58 1,-0.2 5,-0.3 2,-0.2 -1,-0.1 0.847 77.3 58.7 -61.8 -31.8 6.1 41.9 16.5 84 17 B C T > S+ 0 0 11 1,-0.2 4,-1.6 3,-0.1 8,-0.3 0.930 101.3 48.3 -68.0 -49.2 8.6 41.1 13.7 85 18 B A T 4 S+ 0 0 29 2,-0.2 -1,-0.2 6,-0.1 -2,-0.2 0.894 115.9 51.0 -64.4 -39.1 6.1 40.5 10.9 86 19 B S T < S+ 0 0 60 -4,-1.6 2,-4.0 1,-0.1 6,-0.1 -0.214 116.3 28.7 -65.5 178.9 4.4 43.7 11.9 87 20 B L T 4 S+ 0 0 107 1,-0.1 -2,-0.2 2,-0.1 -3,-0.1 -0.118 134.2 29.6 75.8 -55.9 6.9 46.4 12.2 88 21 B b X + 0 0 0 -2,-4.0 4,-1.4 -4,-1.6 -1,-0.1 -0.739 68.9 157.4-146.8 82.0 9.3 45.0 9.5 89 22 B P T 4 + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.695 66.2 64.6 -94.0 -23.7 7.3 43.0 6.9 90 23 B D T 4 S+ 0 0 113 1,-0.1 13,-0.1 22,-0.0 3,-0.1 0.805 116.1 33.9 -62.1 -27.7 9.6 43.0 3.9 91 24 B V T 4 S+ 0 0 0 1,-0.2 12,-2.5 -7,-0.2 13,-0.7 0.843 114.8 45.8-101.7 -44.7 12.1 41.0 6.1 92 25 B F E < +F 102 0D 2 -4,-1.4 2,-0.2 -8,-0.3 -1,-0.2 -0.901 59.7 172.1-113.8 104.1 10.2 38.6 8.5 93 26 B E E -F 101 0D 73 8,-2.0 8,-2.6 -2,-0.6 2,-0.3 -0.643 35.5-108.6 -99.1 163.3 7.3 36.5 7.2 94 27 B M E -F 100 0D 71 -2,-0.2 6,-0.2 6,-0.2 2,-0.1 -0.713 31.5-139.8 -93.0 144.9 5.6 33.8 9.2 95 28 B N > - 0 0 16 4,-1.6 3,-1.4 -2,-0.3 4,-0.1 -0.351 37.6 -79.5 -93.6-178.0 6.1 30.1 8.3 96 29 B D T 3 S+ 0 0 146 1,-0.3 -76,-0.1 2,-0.1 -2,-0.0 0.658 127.9 42.7 -49.4 -25.5 3.7 27.1 8.1 97 30 B E T 3 S- 0 0 33 2,-0.2 -1,-0.3 -76,-0.0 3,-0.1 -0.255 118.0 -98.3-126.0 39.0 3.9 26.6 12.0 98 31 B G S < S+ 0 0 37 -3,-1.4 2,-0.4 1,-0.1 -2,-0.1 0.784 82.2 121.8 51.2 44.2 3.7 30.2 13.4 99 32 B K - 0 0 37 -20,-0.1 -4,-1.6 -4,-0.1 -2,-0.2 -0.998 67.1-104.1-131.3 133.0 7.3 30.9 13.9 100 33 B A E +F 94 0D 3 -2,-0.4 -6,-0.2 -6,-0.2 -22,-0.1 -0.130 40.8 172.6 -55.5 148.6 9.0 33.9 12.2 101 34 B Q E -F 93 0D 19 -8,-2.6 -8,-2.0 -29,-0.1 2,-0.2 -0.957 33.4-104.5-146.4 157.4 11.3 33.4 9.3 102 35 B P E -F 92 0D 21 0, 0.0 -10,-0.3 0, 0.0 -11,-0.1 -0.550 9.8-149.2 -80.0 153.6 13.0 35.9 6.9 103 36 B K S S+ 0 0 99 -12,-2.5 2,-0.3 -2,-0.2 -11,-0.1 0.462 84.7 55.2 -90.9 -7.1 11.7 36.5 3.4 104 37 B V - 0 0 42 -13,-0.7 -33,-0.3 1,-0.1 3,-0.1 -0.948 60.9-157.3-132.0 144.4 15.3 37.3 2.3 105 38 B E S S+ 0 0 108 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.617 91.0 26.2 -94.5 -16.4 18.6 35.5 2.5 106 39 B V - 0 0 82 -36,-0.1 2,-0.4 -38,-0.0 -1,-0.2 -0.989 64.1-162.4-138.8 142.8 20.5 38.7 2.3 107 40 B I B +D 69 0C 4 -38,-1.0 -38,-3.1 -2,-0.3 3,-0.0 -0.991 22.5 155.4-116.2 138.7 19.6 42.3 3.2 108 41 B E + 0 0 138 -2,-0.4 2,-0.3 -40,-0.2 -1,-0.1 0.445 47.6 96.1-129.9 -19.0 21.7 45.1 1.7 109 42 B D > - 0 0 97 1,-0.2 4,-1.7 -40,-0.1 -40,-0.0 -0.562 66.0-148.6 -69.0 134.2 19.2 48.0 1.8 110 43 B E H > S+ 0 0 106 -2,-0.3 4,-3.5 2,-0.2 5,-0.2 0.889 95.9 54.7 -73.7 -37.9 20.0 49.9 4.9 111 44 B E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.863 109.5 49.0 -67.6 -30.8 16.4 51.0 5.4 112 45 B L H > S+ 0 0 48 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.910 111.0 51.4 -66.9 -43.2 15.4 47.4 5.3 113 46 B Y H X S+ 0 0 37 -4,-1.7 4,-2.2 2,-0.2 3,-0.4 0.965 105.9 52.8 -58.7 -56.6 18.2 46.7 7.8 114 47 B N H >X S+ 0 0 68 -4,-3.5 4,-2.7 1,-0.2 3,-0.7 0.932 109.4 50.6 -38.2 -59.9 17.0 49.4 10.2 115 48 B b H 3X S+ 0 0 25 -4,-1.7 4,-1.6 1,-0.3 -1,-0.2 0.876 112.8 46.5 -46.5 -43.9 13.5 47.8 10.1 116 49 B A H 3X S+ 0 0 0 -4,-1.9 4,-1.4 -3,-0.4 -1,-0.3 0.740 111.1 49.6 -78.0 -27.1 15.1 44.4 10.9 117 50 B K H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 3,-0.6 0.902 109.3 50.2 -57.1 -46.3 12.6 43.9 15.2 120 53 B M H 3< S+ 0 0 54 -4,-1.4 8,-0.2 1,-0.2 -2,-0.2 0.958 109.0 49.6 -59.7 -53.7 15.5 42.4 17.0 121 54 B E H 3< S+ 0 0 150 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.647 119.4 43.3 -57.4 -17.2 15.6 45.0 19.7 122 55 B A H << S+ 0 0 45 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.805 77.1 110.5-102.0 -37.6 11.9 44.4 20.1 123 56 B C >< - 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