==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-AUG-07 2QX6 . COMPND 2 MOLECULE: RIBOSYLDIHYDRONICOTINAMIDE DEHYDROGENASE [QUINONE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.CALAMINI,B.D.SANTARSIERO,J.A.BOUTIN,A.D.MESECAR . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19268.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 348 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.7 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 . 6 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 . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 4.6 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 2 0 0 0 2 3 1 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 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 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 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 69 0, 0.0 33,-0.2 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0 173.8 8.5 7.4 48.0 2 2 A G + 0 0 77 31,-0.6 2,-0.3 1,-0.2 32,-0.1 0.561 360.0 101.3 68.0 7.2 5.2 5.5 47.6 3 3 A K - 0 0 84 30,-0.1 32,-2.9 92,-0.0 2,-0.4 -0.897 64.4-139.5-126.1 155.7 5.7 5.8 43.8 4 4 A K E -a 35 0A 87 -2,-0.3 91,-3.0 30,-0.2 92,-1.5 -0.936 19.9-168.3-112.6 132.7 6.8 3.5 41.1 5 5 A V E -ab 36 96A 2 30,-2.7 32,-2.2 -2,-0.4 2,-0.5 -0.978 8.8-163.7-125.1 136.2 9.1 4.8 38.3 6 6 A L E -ab 37 97A 2 90,-2.6 92,-3.0 -2,-0.4 2,-0.6 -0.975 5.9-162.4-116.5 127.3 10.0 3.2 35.0 7 7 A I E -ab 38 98A 1 30,-2.8 32,-2.9 -2,-0.5 2,-0.8 -0.960 3.9-159.0-110.0 119.4 13.0 4.6 33.1 8 8 A V E -ab 39 99A 0 90,-3.0 92,-2.5 -2,-0.6 2,-0.4 -0.893 20.9-166.3 -98.3 113.3 13.1 3.5 29.4 9 9 A Y E -ab 40 100A 3 30,-2.4 32,-1.8 -2,-0.8 33,-0.4 -0.881 18.4-176.7-112.4 130.0 16.8 4.0 28.5 10 10 A A + 0 0 0 90,-2.6 2,-0.3 -2,-0.4 102,-0.1 -0.687 38.4 107.5-128.4 79.1 18.2 4.1 25.1 11 11 A H - 0 0 25 -2,-0.4 31,-0.2 90,-0.1 32,-0.2 -0.976 52.8-144.9-149.9 141.7 22.0 4.5 24.9 12 12 A Q S S+ 0 0 37 -2,-0.3 286,-0.1 1,-0.1 287,-0.1 0.699 81.4 67.2 -77.3 -22.8 24.7 1.9 24.0 13 13 A E > - 0 0 19 1,-0.1 3,-2.2 285,-0.1 6,-0.4 -0.884 59.0-160.1-115.0 114.1 27.4 3.0 26.4 14 14 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 283,-0.1 0.838 96.8 55.2 -52.9 -35.3 27.1 2.8 30.2 15 15 A K T 3 S+ 0 0 136 4,-0.1 5,-0.0 5,-0.0 282,-0.0 0.453 87.6 109.6 -81.2 1.1 29.9 5.5 30.5 16 16 A S S <> S- 0 0 15 -3,-2.2 4,-2.0 1,-0.1 5,-0.1 -0.156 85.2-107.4 -74.0 171.6 28.0 8.1 28.3 17 17 A F H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.864 124.5 53.0 -63.9 -37.5 26.4 11.3 29.5 18 18 A N H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.901 106.4 53.4 -63.3 -41.5 23.0 9.6 28.9 19 19 A G H > S+ 0 0 0 -6,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.900 108.7 48.9 -59.9 -40.8 24.2 6.7 31.1 20 20 A S H X S+ 0 0 49 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.893 110.7 49.8 -66.7 -39.8 25.1 9.3 33.9 21 21 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.891 112.8 47.4 -65.2 -41.0 21.7 10.9 33.6 22 22 A K H X S+ 0 0 35 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.941 113.2 49.0 -65.1 -45.7 20.0 7.5 33.9 23 23 A N H X S+ 0 0 67 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.886 109.8 49.4 -64.1 -39.4 22.2 6.6 36.8 24 24 A V H X S+ 0 0 24 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.828 109.5 53.8 -69.9 -28.1 21.6 9.8 38.8 25 25 A A H X S+ 0 0 1 -4,-1.4 4,-2.5 -5,-0.2 5,-0.3 0.931 110.8 45.4 -67.6 -45.0 17.8 9.3 38.2 26 26 A V H X S+ 0 0 39 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.950 115.7 47.7 -60.8 -49.8 18.0 5.8 39.7 27 27 A D H X S+ 0 0 104 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.929 115.6 42.9 -57.2 -52.9 20.2 7.0 42.6 28 28 A E H X S+ 0 0 13 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.913 117.4 43.7 -65.4 -43.7 18.0 10.0 43.4 29 29 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-0.4 0.896 114.4 51.5 -69.3 -35.5 14.6 8.3 43.1 30 30 A S H ><5S+ 0 0 73 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.907 107.7 52.5 -64.5 -42.9 15.9 5.2 45.0 31 31 A R H 3<5S+ 0 0 159 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.843 104.3 57.0 -60.6 -36.3 17.1 7.5 47.8 32 32 A Q T 3<5S- 0 0 35 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.622 122.6-109.2 -69.6 -14.8 13.7 9.0 48.0 33 33 A G T < 5 + 0 0 47 -3,-1.3 -31,-0.6 -4,-0.4 -3,-0.2 0.511 69.3 146.6 97.3 5.2 12.4 5.5 48.6 34 34 A C < - 0 0 10 -5,-2.3 2,-0.4 -33,-0.2 -1,-0.3 -0.368 54.2-113.4 -73.1 156.6 10.7 5.2 45.2 35 35 A T E -a 4 0A 75 -32,-2.9 -30,-2.7 -2,-0.1 2,-0.4 -0.760 40.8-165.1 -87.7 130.8 10.4 1.8 43.5 36 36 A V E +a 5 0A 39 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.976 18.4 177.3-130.8 138.2 12.6 2.0 40.3 37 37 A T E -a 6 0A 61 -32,-2.2 -30,-2.8 -2,-0.4 2,-0.4 -0.989 12.0-157.5-132.4 139.6 12.8 -0.2 37.2 38 38 A V E -a 7 0A 48 -2,-0.4 2,-0.9 -32,-0.2 -30,-0.2 -0.980 7.6-158.6-122.2 128.7 15.0 0.4 34.1 39 39 A S E -a 8 0A 0 -32,-2.9 -30,-2.4 -2,-0.4 2,-1.3 -0.895 12.4-165.7-101.9 99.2 14.4 -1.0 30.7 40 40 A D E > -a 9 0A 46 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 -0.715 5.3-167.2 -88.4 91.4 17.9 -0.8 29.1 41 41 A L T 4>S+ 0 0 0 -32,-1.8 5,-2.6 -2,-1.3 4,-0.5 0.851 79.5 44.2 -52.3 -48.9 16.9 -1.3 25.5 42 42 A Y T >45S+ 0 0 29 -33,-0.4 3,-0.8 -31,-0.2 -1,-0.2 0.889 113.7 51.1 -67.5 -36.1 20.3 -1.9 23.9 43 43 A A T 345S+ 0 0 79 1,-0.3 -1,-0.2 -32,-0.2 -2,-0.2 0.866 112.9 46.6 -67.8 -33.1 21.4 -4.2 26.7 44 44 A M T 3<5S- 0 0 81 -4,-2.3 -1,-0.3 2,-0.0 -2,-0.2 0.547 106.5-131.4 -81.8 -6.1 18.1 -6.2 26.3 45 45 A N T < 5 - 0 0 101 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.907 34.9-154.3 51.2 43.5 18.7 -6.2 22.5 46 46 A F < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 68,-0.1 -0.208 12.1-118.0 -53.5 130.4 15.0 -5.0 22.4 47 47 A E - 0 0 51 1,-0.2 -1,-0.1 -3,-0.1 71,-0.1 -0.585 30.2-177.1 -73.6 117.2 13.3 -5.9 19.1 48 48 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 295,-0.3 0.716 49.1 98.7 -88.8 -21.9 12.2 -2.6 17.3 49 49 A R - 0 0 13 294,-0.1 2,-1.0 295,-0.1 -2,-0.0 -0.489 66.4-139.8 -77.5 133.4 10.4 -4.1 14.3 50 50 A A + 0 0 1 -2,-0.3 2,-0.3 3,-0.0 17,-0.1 -0.760 47.3 148.3 -87.9 103.1 6.6 -4.4 14.3 51 51 A T > - 0 0 27 -2,-1.0 3,-2.0 16,-0.1 4,-0.1 -0.825 65.4 -96.1-133.5 174.0 6.1 -7.8 12.6 52 52 A D G > S+ 0 0 73 1,-0.3 3,-1.3 -2,-0.3 -2,-0.0 0.610 113.0 76.8 -66.5 -9.8 3.8 -10.8 12.6 53 53 A K G 3 S+ 0 0 148 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.647 78.8 74.2 -72.8 -13.4 6.1 -12.5 15.1 54 54 A D G < S+ 0 0 4 -3,-2.0 27,-1.9 26,-0.1 2,-0.4 0.573 91.9 60.3 -76.0 -6.8 4.6 -10.1 17.7 55 55 A I B < -E 80 0B 11 -3,-1.3 25,-0.2 25,-0.2 4,-0.1 -0.986 59.0-177.8-121.1 130.6 1.4 -12.3 17.7 56 56 A T + 0 0 108 23,-3.1 24,-0.1 -2,-0.4 -1,-0.1 0.559 60.6 68.5-104.8 -9.9 1.6 -15.9 18.7 57 57 A G S S- 0 0 34 22,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.256 101.8 -56.5 -98.8-171.8 -2.0 -17.0 18.2 58 58 A T - 0 0 142 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.1 -0.455 61.1-119.6 -65.1 133.3 -4.2 -17.5 15.1 59 59 A L - 0 0 45 -2,-0.2 -1,-0.1 1,-0.1 11,-0.0 -0.406 7.8-133.5 -73.1 150.5 -4.4 -14.2 13.2 60 60 A S S S+ 0 0 68 1,-0.3 -1,-0.1 -2,-0.1 5,-0.0 0.868 103.5 17.4 -73.3 -32.4 -7.8 -12.6 12.8 61 61 A N > + 0 0 68 5,-0.1 3,-0.6 1,-0.1 -1,-0.3 -0.713 67.9 174.3-137.9 85.5 -7.1 -12.1 9.1 62 62 A P T 3 S+ 0 0 86 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.524 76.5 64.2 -70.5 -2.4 -4.3 -14.3 7.9 63 63 A E T 3 S+ 0 0 129 1,-0.3 2,-0.4 -4,-0.0 185,-0.1 0.840 114.2 23.5 -87.2 -37.4 -4.8 -13.2 4.3 64 64 A V S < S- 0 0 54 -3,-0.6 2,-0.5 183,-0.1 -1,-0.3 -0.929 82.7-142.1-133.9 105.4 -4.0 -9.5 4.8 65 65 A F + 0 0 16 -2,-0.4 2,-0.5 -3,-0.2 181,-0.2 -0.577 20.5 178.3 -74.9 119.3 -1.7 -8.7 7.7 66 66 A N > - 0 0 50 -2,-0.5 4,-3.1 -5,-0.2 5,-0.3 -0.963 15.2-158.6-122.0 106.4 -2.6 -5.5 9.6 67 67 A Y H > S+ 0 0 16 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.886 89.8 50.0 -53.3 -47.3 -0.3 -5.0 12.5 68 68 A G H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 115.5 42.2 -61.0 -46.7 -2.6 -2.6 14.4 69 69 A V H > S+ 0 0 68 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 116.5 48.1 -65.8 -47.4 -5.6 -4.9 14.1 70 70 A E H X S+ 0 0 3 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.884 114.3 45.0 -65.1 -37.9 -3.7 -8.0 14.9 71 71 A T H X S+ 0 0 5 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.850 110.2 54.7 -75.0 -32.2 -1.9 -6.6 17.9 72 72 A H H X S+ 0 0 29 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.963 114.4 41.3 -61.6 -47.8 -5.2 -5.1 19.2 73 73 A E H X S+ 0 0 68 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 113.6 52.4 -66.9 -40.2 -6.8 -8.5 19.0 74 74 A A H X>S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.2 4,-1.6 0.881 106.6 54.6 -64.0 -37.0 -3.8 -10.3 20.4 75 75 A Y H <5S+ 0 0 55 -4,-2.3 3,-0.3 3,-0.2 -1,-0.2 0.952 110.5 44.7 -60.6 -48.0 -3.7 -7.9 23.4 76 76 A K H <5S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.834 119.6 42.4 -65.0 -32.0 -7.3 -8.8 24.2 77 77 A Q H <5S- 0 0 125 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.585 109.5-122.4 -89.3 -12.9 -6.6 -12.5 23.7 78 78 A R T <5S+ 0 0 233 -4,-1.6 -3,-0.2 -3,-0.3 -4,-0.1 0.913 74.7 124.5 68.3 47.2 -3.3 -12.4 25.5 79 79 A S < + 0 0 22 -5,-2.5 -23,-3.1 -8,-0.1 -22,-0.6 0.021 32.3 124.6-121.2 23.9 -1.4 -13.8 22.5 80 80 A L B S-E 55 0B 13 -6,-0.5 -25,-0.2 -25,-0.2 -26,-0.1 -0.514 74.9 -88.2 -80.9 154.7 1.2 -11.0 22.2 81 81 A A >> - 0 0 14 -27,-1.9 4,-1.7 -2,-0.2 3,-0.7 -0.299 39.0-118.5 -59.1 147.4 4.9 -11.8 22.3 82 82 A S H 3> S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.781 108.8 62.8 -65.1 -27.6 6.2 -11.9 25.8 83 83 A D H 3> S+ 0 0 46 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.875 106.8 46.9 -66.9 -32.2 8.8 -9.1 25.4 84 84 A I H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 3,-0.4 0.955 112.5 48.0 -70.9 -48.5 5.9 -6.8 24.7 85 85 A T H X S+ 0 0 49 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.850 106.1 58.3 -63.3 -33.3 3.9 -8.0 27.7 86 86 A D H X S+ 0 0 93 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.897 110.0 44.2 -61.8 -39.5 6.9 -7.7 30.0 87 87 A E H X S+ 0 0 1 -4,-1.2 4,-2.4 -3,-0.4 -2,-0.2 0.897 109.6 55.0 -71.6 -39.4 7.1 -4.0 29.1 88 88 A Q H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.884 105.2 53.9 -62.0 -36.4 3.4 -3.4 29.4 89 89 A K H X S+ 0 0 121 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.927 108.8 49.1 -63.3 -42.1 3.5 -4.8 32.9 90 90 A K H X S+ 0 0 53 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.919 114.6 44.2 -62.0 -45.0 6.3 -2.3 33.8 91 91 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 3,-0.2 0.917 109.3 56.7 -65.8 -45.0 4.3 0.6 32.4 92 92 A R H < S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.9 40.8 -54.1 -44.1 1.0 -0.5 34.0 93 93 A E H < S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.744 96.6 99.1 -80.6 -20.9 2.5 -0.4 37.5 94 94 A A < - 0 0 2 -4,-1.3 -89,-0.2 -3,-0.2 3,-0.1 -0.336 49.3-168.4 -71.0 147.7 4.5 2.8 37.0 95 95 A D S S+ 0 0 56 -91,-3.0 46,-2.6 1,-0.3 2,-0.4 0.657 85.2 26.5 -99.2 -27.3 3.3 6.1 38.3 96 96 A L E -bc 5 141A 0 -92,-1.5 -90,-2.6 44,-0.2 2,-0.5 -0.999 66.2-163.0-139.2 133.3 6.0 7.9 36.3 97 97 A V E -bc 6 142A 0 44,-2.1 46,-2.0 -2,-0.4 2,-0.5 -0.978 9.2-166.7-119.7 119.8 7.7 6.8 33.1 98 98 A I E -bc 7 143A 1 -92,-3.0 -90,-3.0 -2,-0.5 2,-0.6 -0.907 7.3-154.4-105.9 133.0 11.0 8.6 32.2 99 99 A F E -bc 8 144A 1 44,-2.6 46,-3.3 -2,-0.5 2,-0.6 -0.940 10.4-168.5-107.2 123.1 12.5 8.3 28.7 100 100 A Q E +bc 9 145A 2 -92,-2.5 -90,-2.6 -2,-0.6 46,-0.2 -0.943 28.5 130.0-114.9 113.4 16.3 8.8 28.7 101 101 A F E - c 0 146A 0 44,-2.0 46,-1.5 -2,-0.6 2,-0.3 -0.999 55.8-108.5-162.8 157.7 17.8 9.1 25.3 102 102 A P E - c 0 147A 13 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.669 50.0-104.4 -86.1 140.9 20.0 11.1 22.9 103 103 A L - 0 0 26 44,-2.9 2,-0.5 -2,-0.3 5,-0.2 -0.534 37.6-170.6 -68.8 125.5 18.1 12.9 20.1 104 104 A Y B > S-F 107 0C 35 3,-2.6 3,-0.9 -2,-0.3 246,-0.1 -0.978 73.0 -20.5-119.2 113.9 18.5 11.0 16.8 105 105 A W T 3 S- 0 0 40 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.930 125.2 -54.1 51.4 52.1 17.1 12.9 13.8 106 106 A F T 3 S+ 0 0 10 1,-0.2 -1,-0.3 301,-0.1 2,-0.2 0.743 130.3 60.7 58.4 25.6 14.9 15.2 16.0 107 107 A S B < S-F 104 0C 9 -3,-0.9 -3,-2.6 -5,-0.1 -1,-0.2 -0.791 96.9 -55.0-155.5-163.6 13.3 12.1 17.6 108 108 A V - 0 0 0 -2,-0.2 -5,-0.1 -5,-0.2 5,-0.1 -0.593 61.8 -93.7 -88.9 152.4 14.0 9.0 19.6 109 109 A P >> - 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.316 43.9-107.0 -58.4 150.6 16.6 6.3 18.5 110 110 A A H 3> S+ 0 0 1 171,-0.3 4,-2.3 1,-0.3 5,-0.2 0.786 118.8 59.9 -51.9 -35.8 14.9 3.6 16.4 111 111 A I H 3> S+ 0 0 0 170,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.894 110.7 41.5 -63.6 -35.0 15.2 1.1 19.3 112 112 A L H <> S+ 0 0 0 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.840 110.5 56.4 -79.4 -34.2 13.1 3.4 21.5 113 113 A K H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 230,-0.2 0.895 106.0 53.5 -63.1 -35.4 10.8 4.2 18.6 114 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.843 104.4 54.0 -65.6 -34.4 10.2 0.4 18.4 115 115 A W H X>S+ 0 0 1 -4,-0.9 4,-2.7 2,-0.2 5,-0.6 0.936 111.2 45.6 -65.5 -45.4 9.4 0.3 22.0 116 116 A M H X5S+ 0 0 2 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.971 115.0 47.6 -63.1 -46.7 6.7 2.9 21.4 117 117 A D H <5S+ 0 0 12 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.858 123.1 31.5 -60.0 -42.0 5.4 1.2 18.3 118 118 A R H <5S+ 0 0 4 -4,-2.5 3,-0.3 -5,-0.2 -1,-0.2 0.797 122.2 42.4 -90.8 -33.3 5.2 -2.3 19.9 119 119 A V H <5S+ 0 0 0 -4,-2.7 2,-2.0 -5,-0.3 -3,-0.2 0.893 103.4 63.5 -84.3 -38.5 4.4 -1.7 23.6 120 120 A L S <>> - 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