==== 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 OXIDOREDUCTASE 16-JAN-09 3FW1 . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.WINGER,O.HANTSCHEL,G.SUPERTI-FURGA,J.KURIYAN . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11543.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.9 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 1 0 0 0 1 2 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 122 0, 0.0 2,-0.4 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 155.7 26.4 15.3 -6.2 2 3 A K - 0 0 93 30,-0.0 32,-2.8 92,-0.0 2,-0.4 -0.852 360.0-147.9-113.0 145.4 27.4 15.7 -2.6 3 4 A K E -a 34 0A 81 -2,-0.4 91,-2.6 89,-0.2 92,-1.6 -0.898 15.3-168.4-107.1 132.1 25.9 17.5 0.3 4 5 A V E -ab 35 95A 3 30,-3.0 32,-2.0 -2,-0.4 2,-0.5 -0.974 7.1-164.5-121.9 135.8 28.1 19.0 3.1 5 6 A L E -ab 36 96A 2 90,-2.4 92,-2.8 -2,-0.4 2,-0.6 -0.984 4.7-162.5-114.1 127.3 27.0 20.3 6.4 6 7 A I E -ab 37 97A 1 30,-2.7 32,-2.8 -2,-0.5 2,-0.7 -0.958 3.7-160.2-107.8 116.2 29.5 22.4 8.4 7 8 A V E -ab 38 98A 0 90,-3.1 92,-2.6 -2,-0.6 2,-0.4 -0.890 20.6-168.5 -95.1 112.9 28.5 22.8 12.0 8 9 A Y E -ab 39 99A 2 30,-2.3 32,-1.9 -2,-0.7 2,-0.4 -0.903 17.3-174.0-117.2 130.3 30.6 25.8 13.0 9 10 A A + 0 0 0 90,-2.6 2,-0.3 -2,-0.4 102,-0.1 -0.676 39.0 110.0-129.4 75.2 31.1 27.0 16.5 10 11 A H - 0 0 33 -2,-0.4 31,-0.2 90,-0.1 32,-0.2 -0.986 52.2-146.9-147.6 145.1 32.9 30.4 16.8 11 12 A Q S S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 28,-0.0 0.666 81.8 65.6 -79.6 -18.8 31.7 33.8 17.8 12 13 A E > - 0 0 84 1,-0.1 3,-1.9 2,-0.0 6,-0.5 -0.915 59.4-159.6-123.0 111.2 34.0 35.8 15.4 13 14 A P T 3 S+ 0 0 83 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 0.819 97.6 49.9 -54.4 -35.8 33.8 35.8 11.6 14 15 A K T 3 S+ 0 0 183 4,-0.1 5,-0.0 5,-0.0 -2,-0.0 0.345 89.2 113.8 -86.6 5.4 37.3 37.1 11.3 15 16 A S S <> S- 0 0 15 -3,-1.9 4,-2.0 1,-0.1 5,-0.1 -0.219 85.6-106.4 -67.5 168.1 38.7 34.5 13.6 16 17 A F H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 125.3 51.2 -58.2 -43.6 41.1 31.8 12.5 17 18 A N H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.912 107.1 54.6 -59.0 -43.3 38.1 29.3 12.9 18 19 A G H > S+ 0 0 0 -6,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.880 108.0 49.0 -57.1 -40.1 36.1 31.7 10.7 19 20 A S H X S+ 0 0 46 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.931 110.1 50.1 -67.9 -44.5 38.7 31.6 8.0 20 21 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.884 113.7 47.3 -59.0 -37.4 38.9 27.7 8.1 21 22 A K H X S+ 0 0 31 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.955 111.7 48.8 -69.7 -47.0 35.1 27.7 7.8 22 23 A N H X S+ 0 0 80 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.895 109.5 52.9 -58.4 -40.8 35.1 30.2 4.9 23 24 A V H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.887 108.5 50.1 -62.3 -40.5 37.7 28.2 3.1 24 25 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 -5,-0.2 5,-0.4 0.918 111.3 48.6 -64.5 -44.9 35.7 25.1 3.4 25 26 A V H X S+ 0 0 44 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.957 114.3 46.0 -60.8 -46.8 32.6 26.8 2.0 26 27 A D H X S+ 0 0 108 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.941 116.8 42.0 -62.5 -50.2 34.5 28.3 -0.9 27 28 A E H X S+ 0 0 8 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.938 118.6 43.9 -66.2 -47.0 36.3 25.1 -1.9 28 29 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 -5,-0.3 4,-0.5 0.905 113.8 51.7 -66.9 -35.7 33.4 22.8 -1.5 29 30 A S H ><5S+ 0 0 71 -4,-2.5 3,-1.3 -5,-0.4 -1,-0.2 0.917 108.0 52.2 -65.8 -39.5 31.1 25.2 -3.2 30 31 A R H 3<5S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 103.2 59.1 -66.0 -29.6 33.6 25.4 -6.1 31 32 A Q T 3<5S- 0 0 57 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.613 122.0-107.2 -76.0 -12.5 33.5 21.6 -6.4 32 33 A G T < 5S+ 0 0 62 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.445 70.1 148.0 101.0 0.1 29.8 21.8 -7.0 33 34 A C < - 0 0 16 -5,-1.9 2,-0.5 -32,-0.1 -1,-0.3 -0.276 54.9-116.0 -64.9 152.9 28.8 20.4 -3.5 34 35 A T E -a 3 0A 74 -32,-2.8 -30,-3.0 2,-0.0 2,-0.4 -0.801 41.4-163.1 -84.1 127.8 25.6 21.5 -1.8 35 36 A V E +a 4 0A 40 -2,-0.5 2,-0.4 -32,-0.2 -30,-0.2 -0.979 19.1 175.1-124.9 132.4 26.9 23.4 1.3 36 37 A T E -a 5 0A 56 -32,-2.0 -30,-2.7 -2,-0.4 2,-0.5 -0.994 12.2-159.6-128.0 139.9 25.0 24.4 4.4 37 38 A V E -a 6 0A 47 -2,-0.4 2,-0.9 -32,-0.2 -30,-0.2 -0.982 7.8-156.7-117.8 125.9 26.6 26.0 7.5 38 39 A S E -a 7 0A 0 -32,-2.8 -30,-2.3 -2,-0.5 2,-1.5 -0.865 12.5-164.3 -95.1 101.0 25.0 25.9 10.9 39 40 A D E > -a 8 0A 47 -2,-0.9 4,-2.0 1,-0.2 3,-0.3 -0.691 5.6-166.9 -87.5 91.0 26.6 28.9 12.4 40 41 A L T 4>S+ 0 0 0 -32,-1.9 5,-2.7 -2,-1.5 4,-0.2 0.811 80.1 44.1 -54.8 -45.9 25.7 28.1 16.0 41 42 A Y T >45S+ 0 0 67 -33,-0.4 3,-1.2 -31,-0.2 -1,-0.2 0.894 113.7 51.6 -67.5 -39.4 26.4 31.4 17.7 42 43 A A T 345S+ 0 0 77 1,-0.3 -2,-0.2 -3,-0.3 -1,-0.2 0.823 112.1 48.0 -61.9 -31.6 24.8 33.4 14.9 43 44 A M T 3<5S- 0 0 79 -4,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.444 105.9-131.4 -84.5 -4.5 21.7 31.1 15.3 44 45 A N T < 5 - 0 0 143 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.900 35.7-154.5 47.6 43.6 21.8 31.6 19.1 45 46 A F < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.2 68,-0.1 -0.204 11.6-118.9 -54.2 133.0 21.5 27.9 19.0 46 47 A E - 0 0 56 -3,-0.2 -1,-0.1 1,-0.2 71,-0.1 -0.615 30.3-178.1 -77.6 118.7 19.9 26.5 22.3 47 48 A P + 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.666 49.0 98.6 -90.9 -16.4 22.4 24.2 24.0 48 49 A R - 0 0 160 1,-0.1 2,-1.0 68,-0.0 -2,-0.0 -0.563 67.6-138.4 -82.4 136.1 20.3 23.1 27.0 49 50 A A + 0 0 46 -2,-0.3 2,-0.3 3,-0.0 17,-0.1 -0.748 47.3 149.5 -86.3 101.8 18.5 19.7 26.9 50 51 A T > - 0 0 27 -2,-1.0 3,-2.3 16,-0.1 4,-0.2 -0.853 64.8 -97.7-133.0 171.9 15.1 20.6 28.4 51 52 A D G > S+ 0 0 85 1,-0.3 3,-1.6 -2,-0.3 -2,-0.0 0.692 113.9 76.3 -64.5 -15.8 11.4 19.6 28.2 52 53 A K G 3 S+ 0 0 147 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.693 80.7 70.6 -65.4 -15.0 10.9 22.6 25.8 53 54 A D G < S+ 0 0 5 -3,-2.3 27,-2.5 1,-0.1 2,-0.6 0.682 88.7 69.4 -75.2 -15.9 12.6 20.4 23.2 54 55 A I B < -F 79 0B 14 -3,-1.6 25,-0.2 25,-0.2 4,-0.1 -0.908 59.9-176.5-105.7 114.5 9.5 18.1 23.1 55 56 A T + 0 0 96 23,-2.4 24,-0.2 -2,-0.6 -1,-0.1 0.556 64.4 72.4 -89.2 -8.4 6.5 20.0 21.6 56 57 A G S S- 0 0 26 22,-1.0 2,-0.3 1,-0.1 -2,-0.1 -0.373 102.2 -75.6 -91.7 179.9 4.1 17.1 22.2 57 58 A T - 0 0 137 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.574 54.9-108.9 -76.0 136.4 2.7 16.0 25.6 58 59 A L - 0 0 45 -2,-0.3 -1,-0.1 1,-0.1 6,-0.0 -0.331 12.8-134.7 -65.8 151.3 5.2 14.1 27.8 59 60 A S S S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.0 5,-0.1 0.825 98.5 29.4 -70.5 -29.9 4.6 10.3 28.3 60 61 A N + 0 0 61 1,-0.1 -1,-0.3 3,-0.1 5,-0.1 -0.873 57.7 177.5-141.6 103.3 5.3 10.8 31.9 61 62 A P S S+ 0 0 119 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.464 82.5 61.7 -82.8 -7.4 4.5 14.1 33.8 62 63 A E S S+ 0 0 172 1,-0.3 2,-0.4 0, 0.0 -2,-0.0 0.849 117.3 19.3 -82.4 -41.9 5.6 12.7 37.2 63 64 A V S S- 0 0 99 -3,-0.1 2,-0.5 2,-0.0 -1,-0.3 -0.957 73.4-149.3-138.2 117.3 9.2 12.0 36.2 64 65 A F - 0 0 79 -2,-0.4 2,-0.5 -3,-0.2 -13,-0.0 -0.742 14.2-179.7 -93.5 123.3 11.0 13.7 33.2 65 66 A N > - 0 0 86 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 -0.957 16.4-154.8-122.8 114.1 13.7 11.7 31.4 66 67 A Y H > S+ 0 0 46 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.899 91.1 46.1 -58.5 -48.1 15.2 13.6 28.5 67 68 A G H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 115.1 46.2 -62.1 -45.8 16.4 10.6 26.5 68 69 A V H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 115.5 45.8 -62.0 -45.3 13.2 8.7 26.9 69 70 A E H X S+ 0 0 5 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.901 113.8 47.3 -74.2 -35.2 11.0 11.7 26.0 70 71 A T H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.884 110.0 53.9 -73.3 -33.9 13.0 12.8 23.0 71 72 A H H X S+ 0 0 27 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.963 114.1 41.1 -58.8 -49.1 13.1 9.3 21.6 72 73 A E H X S+ 0 0 60 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.916 114.9 52.4 -66.7 -39.0 9.3 9.1 21.8 73 74 A A H <>S+ 0 0 1 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.902 105.7 54.1 -63.4 -42.9 9.0 12.6 20.5 74 75 A Y H ><5S+ 0 0 57 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.944 108.5 49.1 -55.3 -48.9 11.2 11.8 17.5 75 76 A K H 3<5S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 115.8 44.2 -57.7 -31.8 8.9 8.9 16.7 76 77 A Q T 3<5S- 0 0 125 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.272 111.2-117.8 -99.5 10.8 5.8 11.1 16.9 77 78 A R T < 5S+ 0 0 232 -3,-1.5 -3,-0.2 -4,-0.3 -4,-0.1 0.899 75.5 129.4 51.9 45.7 7.3 14.1 15.0 78 79 A S < + 0 0 24 -5,-2.8 -23,-2.4 -8,-0.1 -22,-1.0 -0.191 26.8 121.5-124.1 37.0 7.0 16.2 18.2 79 80 A L B S-F 54 0B 12 -25,-0.2 -25,-0.2 -6,-0.2 -26,-0.1 -0.758 72.8 -89.1 -99.8 152.4 10.5 17.7 18.5 80 81 A A > - 0 0 11 -27,-2.5 4,-2.1 -2,-0.3 3,-0.4 -0.198 38.7-116.2 -57.3 149.9 11.2 21.5 18.6 81 82 A S H > S+ 0 0 85 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.773 111.4 60.9 -68.5 -23.2 11.7 23.0 15.2 82 83 A D H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 109.0 44.7 -69.3 -37.9 15.4 24.0 15.8 83 84 A I H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.950 114.7 46.4 -65.3 -48.7 16.2 20.3 16.4 84 85 A T H X S+ 0 0 52 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.890 107.6 58.1 -72.4 -28.8 14.3 19.1 13.4 85 86 A D H X S+ 0 0 92 -4,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.908 110.8 43.2 -55.8 -44.9 15.8 21.8 11.2 86 87 A E H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.896 110.6 55.6 -71.9 -36.8 19.3 20.4 12.1 87 88 A Q H X S+ 0 0 2 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.898 104.8 53.5 -62.5 -36.5 18.1 16.8 11.7 88 89 A K H X S+ 0 0 119 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.940 109.6 47.9 -63.5 -43.8 17.0 17.6 8.2 89 90 A K H X S+ 0 0 55 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.895 116.2 43.4 -61.6 -42.2 20.5 19.0 7.4 90 91 A V H >< S+ 0 0 0 -4,-2.3 3,-0.6 2,-0.2 -2,-0.2 0.924 110.4 55.6 -69.2 -45.7 22.2 16.0 8.9 91 92 A R H 3< S+ 0 0 115 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 114.7 39.9 -56.0 -39.0 19.8 13.5 7.2 92 93 A E H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 -5,-0.2 -89,-0.2 0.671 96.5 103.4 -84.2 -16.3 20.6 14.9 3.8 93 94 A A << - 0 0 2 -4,-0.9 -89,-0.2 -3,-0.6 3,-0.1 -0.389 46.9-170.6 -76.8 145.5 24.3 15.4 4.3 94 95 A D S S+ 0 0 51 -91,-2.6 46,-2.5 1,-0.3 2,-0.4 0.697 84.3 25.2 -94.3 -28.0 27.0 13.1 2.9 95 96 A L E -bc 4 140A 0 -92,-1.6 -90,-2.4 44,-0.2 2,-0.5 -0.999 65.7-162.9-139.1 134.2 29.7 14.8 5.0 96 97 A V E -bc 5 141A 0 44,-2.1 46,-1.9 -2,-0.4 2,-0.5 -0.988 8.8-166.9-119.7 120.6 29.5 16.7 8.2 97 98 A I E -bc 6 142A 1 -92,-2.8 -90,-3.1 -2,-0.5 2,-0.6 -0.923 7.1-155.6-104.4 130.1 32.4 18.9 9.2 98 99 A F E -bc 7 143A 1 44,-2.6 46,-3.4 -2,-0.5 2,-0.6 -0.951 10.2-169.2-102.2 123.1 32.6 20.2 12.7 99 100 A Q E +bc 8 144A 1 -92,-2.6 -90,-2.6 -2,-0.6 46,-0.2 -0.948 28.2 130.4-115.6 113.7 34.7 23.4 12.9 100 101 A F E - c 0 145A 0 44,-2.4 46,-1.6 -2,-0.6 2,-0.3 -0.999 55.4-109.4-158.9 151.0 35.6 24.5 16.4 101 102 A P E - c 0 146A 14 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.678 49.3-103.8 -77.2 147.6 38.2 25.7 18.9 102 103 A L - 0 0 23 44,-2.9 2,-0.5 -2,-0.3 5,-0.2 -0.530 38.8-172.4 -72.9 126.9 39.0 23.2 21.6 103 104 A Y B > S-G 106 0C 86 3,-2.6 3,-1.0 -2,-0.3 44,-0.0 -0.987 71.5 -19.0-121.0 117.6 37.4 24.2 24.9 104 105 A W T 3 S- 0 0 252 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.924 125.4 -54.7 49.7 51.4 38.4 22.1 27.9 105 106 A F T 3 S+ 0 0 95 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.731 130.7 58.9 60.8 28.1 39.7 19.2 25.7 106 107 A S B < S-G 103 0C 36 -3,-1.0 -3,-2.6 -5,-0.1 -1,-0.2 -0.757 97.0 -53.0-159.6-164.2 36.3 19.1 24.0 107 108 A V - 0 0 7 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.603 62.5 -92.0 -87.3 152.5 33.8 21.1 21.9 108 109 A P >> - 0 0 0 0, 0.0 4,-2.3 0, 0.0 3,-1.0 -0.330 44.1-108.7 -54.0 145.4 32.5 24.5 23.0 109 110 A A H 3> S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.822 117.5 60.0 -51.3 -35.6 29.2 24.0 25.0 110 111 A I H 3> S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.917 111.2 40.9 -64.9 -35.1 27.0 25.4 22.2 111 112 A L H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.843 110.4 57.1 -76.1 -39.7 28.3 22.7 19.9 112 113 A K H X S+ 0 0 87 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.921 106.5 52.1 -54.5 -40.1 28.0 20.1 22.7 113 114 A G H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 5,-0.4 0.863 104.1 55.1 -67.5 -32.7 24.4 21.1 22.9 114 115 A W H X>S+ 0 0 2 -4,-1.1 4,-2.4 2,-0.2 5,-0.6 0.946 111.7 44.9 -65.9 -42.3 23.9 20.5 19.2 115 116 A M H X5S+ 0 0 11 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.964 115.3 47.5 -59.9 -48.0 25.2 17.0 19.8 116 117 A D H <5S+ 0 0 70 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 123.6 30.7 -62.5 -39.2 23.1 16.5 22.9 117 118 A R H <5S+ 0 0 5 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.796 121.7 44.2 -95.4 -33.4 19.8 17.7 21.3 118 119 A V H <5S+ 0 0 0 -4,-2.4 2,-1.9 -5,-0.4 -3,-0.2 0.905 102.0 63.0 -82.8 -39.4 20.2 16.9 17.6 119 120 A L S <>> - 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