==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-JUN-07 2Q99 . COMPND 2 MOLECULE: SACCHAROPINE DEHYDROGENASE [NAD+, L-LYSINE- . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR A.M.BERGHUIS,D.L.BURK . 372 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17463.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 0 1 0 1 1 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 5 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 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 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 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 A 0 0 123 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 10.7 87.5 49.8 46.6 2 3 A A - 0 0 89 1,-0.1 2,-0.3 31,-0.1 31,-0.1 -0.342 360.0-147.1 -60.9 133.7 84.4 52.0 47.0 3 4 A V - 0 0 10 -2,-0.1 31,-2.3 29,-0.1 2,-0.5 -0.817 5.0-151.9-107.4 144.2 81.6 51.2 44.5 4 5 A T E -a 34 0A 21 65,-0.4 67,-2.7 -2,-0.3 2,-0.4 -0.971 10.5-165.6-116.8 123.3 79.2 53.6 42.9 5 6 A L E -ab 35 71A 0 29,-2.5 31,-2.8 -2,-0.5 2,-0.5 -0.871 3.6-161.4-108.2 142.7 75.8 52.3 41.9 6 7 A H E -ab 36 72A 0 65,-2.4 67,-2.5 -2,-0.4 2,-1.0 -0.960 9.2-149.9-127.2 109.3 73.5 54.2 39.6 7 8 A L E -ab 37 73A 10 29,-2.9 31,-2.4 -2,-0.5 67,-0.2 -0.696 17.7-151.6 -83.5 103.1 69.8 53.2 39.6 8 9 A R - 0 0 5 65,-1.8 67,-0.3 -2,-1.0 2,-0.2 -0.489 20.2-108.7 -77.2 143.8 68.4 53.9 36.1 9 10 A A - 0 0 13 -2,-0.2 -1,-0.1 30,-0.1 52,-0.1 -0.474 38.6-109.4 -70.1 137.6 64.8 54.8 35.7 10 11 A E - 0 0 12 7,-0.2 32,-0.2 -2,-0.2 -1,-0.1 -0.393 30.6-176.9 -68.5 144.2 62.8 52.0 34.0 11 12 A T + 0 0 79 66,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.614 48.6 111.0-112.5 -25.1 61.6 52.6 30.5 12 13 A K S > S- 0 0 81 65,-0.3 3,-2.2 1,-0.1 64,-0.1 -0.327 87.1 -93.0 -55.6 122.2 59.6 49.4 30.0 13 14 A P T 3 S- 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.054 101.3 -4.3 -42.2 125.5 55.9 50.5 29.8 14 15 A L T 3 S+ 0 0 153 1,-0.2 2,-0.8 -3,-0.1 -2,-0.1 0.490 85.7 147.1 67.7 5.7 54.1 50.3 33.2 15 16 A E < + 0 0 8 -3,-2.2 -1,-0.2 1,-0.2 -5,-0.2 -0.637 12.1 164.7 -75.6 110.3 57.1 48.8 35.1 16 17 A A + 0 0 15 -2,-0.8 28,-2.5 27,-0.1 29,-0.3 0.404 39.9 96.3-108.3 0.4 56.8 50.3 38.6 17 18 A R - 0 0 14 26,-0.2 2,-0.3 27,-0.1 -7,-0.2 -0.404 60.5-145.6 -83.5 168.2 59.1 48.1 40.6 18 19 A A - 0 0 8 307,-0.4 315,-0.2 308,-0.1 314,-0.1 -0.995 17.2-137.4-138.1 143.8 62.7 49.1 41.3 19 20 A A S S+ 0 0 0 -2,-0.3 2,-0.4 1,-0.2 317,-0.1 0.823 99.4 33.4 -67.2 -32.5 65.9 47.1 41.7 20 21 A L S S- 0 0 0 53,-0.1 -1,-0.2 -3,-0.1 310,-0.1 -0.986 78.0-155.4-124.7 134.7 67.0 49.1 44.7 21 22 A T > - 0 0 0 -2,-0.4 4,-2.4 308,-0.2 5,-0.2 -0.603 35.2-102.0-103.3 168.4 64.5 50.6 47.2 22 23 A P H > S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.904 123.1 52.9 -55.8 -39.3 65.0 53.6 49.5 23 24 A T H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.918 110.8 44.2 -62.6 -46.2 65.6 51.2 52.4 24 25 A T H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.830 110.7 55.8 -70.1 -30.8 68.3 49.2 50.6 25 26 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.931 106.5 50.8 -65.5 -43.8 69.9 52.4 49.3 26 27 A K H X S+ 0 0 139 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.938 111.5 47.6 -59.4 -45.6 70.2 53.7 52.9 27 28 A K H X S+ 0 0 89 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.898 111.4 50.2 -63.1 -41.1 71.9 50.4 53.9 28 29 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 3,-0.6 0.909 109.5 50.2 -64.8 -41.8 74.3 50.5 51.0 29 30 A I H ><5S+ 0 0 55 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.888 107.6 55.2 -63.0 -35.5 75.3 54.0 51.7 30 31 A A H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.750 105.1 54.6 -67.2 -23.2 75.9 52.9 55.3 31 32 A K T <<5S- 0 0 113 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.329 130.5 -93.2 -92.4 5.5 78.2 50.3 53.9 32 33 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.386 79.6 138.2 101.5 -4.5 80.3 52.8 52.0 33 34 A F < - 0 0 14 -5,-2.4 2,-0.5 -6,-0.1 -1,-0.3 -0.390 48.2-136.9 -75.1 152.9 78.6 52.7 48.6 34 35 A K E -a 4 0A 105 -31,-2.3 -29,-2.5 -2,-0.1 2,-0.5 -0.951 26.2-162.4-108.5 126.3 77.9 55.9 46.6 35 36 A I E -a 5 0A 3 -2,-0.5 21,-2.7 19,-0.2 2,-0.4 -0.947 16.1-172.4-123.0 125.3 74.4 55.8 45.1 36 37 A Y E -ac 6 56A 32 -31,-2.8 -29,-2.9 -2,-0.5 2,-0.4 -0.862 11.0-166.9-104.7 142.1 72.8 57.8 42.3 37 38 A V E -ac 7 57A 2 19,-2.7 21,-2.1 -2,-0.4 2,-0.2 -0.989 13.4-137.3-134.5 125.7 69.1 57.4 41.7 38 39 A E E - c 0 58A 6 -31,-2.4 2,-0.2 -2,-0.4 22,-0.1 -0.575 29.1-107.2 -81.4 142.5 67.3 58.6 38.6 39 40 A D - 0 0 64 19,-2.2 -30,-0.1 -2,-0.2 -1,-0.1 -0.468 41.2-178.8 -66.0 134.6 63.9 60.4 39.0 40 41 A S > - 0 0 17 5,-0.2 3,-1.5 -2,-0.2 5,-0.1 -0.772 20.0-170.3-144.1 96.4 61.2 58.0 37.8 41 42 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.824 91.0 53.5 -53.1 -35.2 57.5 59.2 37.8 42 43 A Q T 3 S+ 0 0 75 -32,-0.2 -31,-0.0 -27,-0.1 -2,-0.0 0.677 84.7 104.7 -76.9 -17.9 56.3 55.6 37.0 43 44 A S S < S- 0 0 19 -3,-1.5 -26,-0.2 1,-0.2 -27,-0.1 -0.340 75.7-133.4 -62.1 145.1 58.2 54.1 39.9 44 45 A T S S+ 0 0 36 -28,-2.5 2,-0.4 2,-0.1 -1,-0.2 0.681 89.4 82.1 -73.3 -15.1 55.9 53.2 42.8 45 46 A F S S- 0 0 5 -29,-0.3 2,-0.3 -5,-0.1 -5,-0.2 -0.753 85.5-124.8 -93.7 134.4 58.6 54.9 45.0 46 47 A N >> - 0 0 100 -2,-0.4 3,-2.1 1,-0.1 4,-0.8 -0.583 18.2-128.4 -76.6 136.8 58.5 58.7 45.4 47 48 A I H >> S+ 0 0 26 1,-0.3 4,-1.9 -2,-0.3 3,-0.7 0.829 107.3 65.2 -55.3 -31.6 61.9 60.2 44.4 48 49 A N H 3> S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.751 91.7 63.1 -65.2 -22.3 61.9 62.0 47.7 49 50 A E H <> S+ 0 0 61 -3,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.894 106.4 44.2 -67.6 -38.4 62.2 58.7 49.6 50 51 A Y H <<>S+ 0 0 7 -4,-0.8 5,-2.4 -3,-0.7 4,-0.5 0.869 109.7 56.2 -71.9 -38.0 65.5 58.1 47.9 51 52 A R H ><5S+ 0 0 109 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.941 109.3 45.9 -58.9 -47.6 66.6 61.7 48.6 52 53 A Q H 3<5S+ 0 0 141 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.6 61.4 -67.4 -22.9 66.0 61.1 52.3 53 54 A A T 3<5S- 0 0 14 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.566 125.6-102.4 -79.4 -9.2 67.8 57.8 52.1 54 55 A G T < 5S+ 0 0 46 -3,-1.4 -19,-0.2 -4,-0.5 -3,-0.2 0.487 70.7 147.7 102.9 5.3 70.9 59.7 51.0 55 56 A A < - 0 0 9 -5,-2.4 2,-0.7 -21,-0.1 -1,-0.3 -0.380 52.4-119.0 -74.4 151.4 70.9 59.1 47.3 56 57 A I E -c 36 0A 70 -21,-2.7 -19,-2.7 -2,-0.1 2,-0.4 -0.828 33.6-138.3 -89.5 116.6 72.2 61.6 44.8 57 58 A I E +c 37 0A 45 -2,-0.7 -19,-0.2 -21,-0.2 -21,-0.0 -0.660 30.2 169.5 -84.1 127.2 69.2 62.5 42.6 58 59 A V E -c 38 0A 26 -21,-2.1 -19,-2.2 -2,-0.4 3,-0.1 -0.864 37.4 -81.9-132.2 164.1 69.8 62.8 38.9 59 60 A P > - 0 0 92 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.266 54.1 -91.9 -65.3 150.8 67.6 63.0 35.7 60 61 A A T 3 S+ 0 0 65 1,-0.3 -52,-0.1 2,-0.1 -20,-0.1 -0.386 115.4 24.4 -61.2 138.2 66.1 60.0 34.0 61 62 A G T > S+ 0 0 25 -52,-0.1 3,-1.8 -3,-0.1 -1,-0.3 0.354 81.3 125.8 86.9 -5.0 68.6 58.7 31.4 62 63 A S G X + 0 0 27 -3,-2.0 3,-1.9 1,-0.3 4,-0.4 0.753 57.8 75.9 -55.9 -27.5 71.6 60.2 33.1 63 64 A W G > S+ 0 0 14 1,-0.3 3,-1.1 -4,-0.2 -1,-0.3 0.809 79.9 71.3 -57.5 -28.8 73.3 56.8 33.1 64 65 A K G < S+ 0 0 105 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.731 110.7 29.4 -62.3 -21.7 74.0 57.2 29.4 65 66 A T G < S+ 0 0 127 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.256 93.5 124.9-120.1 10.3 76.6 59.9 30.1 66 67 A A S < S- 0 0 13 -3,-1.1 -3,-0.0 -4,-0.4 -60,-0.0 -0.358 75.8 -82.2 -72.6 149.1 77.7 58.7 33.5 67 68 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.170 42.2-117.7 -48.6 143.7 81.4 58.0 34.2 68 69 A R T 3 S+ 0 0 142 1,-0.3 21,-0.3 -3,-0.1 -2,-0.1 0.645 107.7 67.2 -62.2 -18.4 82.4 54.5 33.0 69 70 A D T 3 S+ 0 0 110 19,-0.1 -65,-0.4 2,-0.1 -1,-0.3 0.629 78.4 100.0 -79.2 -13.6 83.3 53.3 36.5 70 71 A R S < S- 0 0 32 -3,-1.7 19,-0.6 -67,-0.1 2,-0.6 -0.520 73.0-132.6 -75.0 140.2 79.7 53.5 37.7 71 72 A I E -bd 5 89A 1 -67,-2.7 -65,-2.4 -2,-0.2 2,-0.7 -0.833 19.6-142.9 -92.8 122.1 77.7 50.2 37.8 72 73 A I E -bd 6 90A 0 17,-2.3 19,-2.5 -2,-0.6 2,-0.5 -0.774 19.7-171.0 -90.3 117.0 74.3 50.8 36.2 73 74 A I E +bd 7 91A 0 -67,-2.5 -65,-1.8 -2,-0.7 2,-0.3 -0.916 17.6 143.8-114.4 134.4 71.6 48.9 37.9 74 75 A G - 0 0 0 17,-2.5 -65,-0.1 -2,-0.5 -56,-0.1 -0.904 42.6-126.9-151.6 176.2 68.0 48.5 36.7 75 76 A L S S+ 0 0 1 -2,-0.3 18,-2.2 -67,-0.3 -1,-0.1 0.910 78.1 41.3 -98.5 -60.5 65.3 45.9 36.6 76 77 A K S S- 0 0 31 1,-0.2 18,-0.1 16,-0.2 -65,-0.0 -0.266 89.7 -77.8 -89.3 173.9 64.0 45.3 33.1 77 78 A E - 0 0 58 1,-0.1 -66,-0.3 15,-0.1 -65,-0.3 -0.109 49.8 -96.6 -66.0 164.3 65.6 45.0 29.7 78 79 A X - 0 0 26 16,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.448 49.0 -88.2 -79.5 154.1 66.8 47.9 27.5 79 80 A P > - 0 0 36 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.468 29.0-138.6 -64.9 127.9 64.7 49.4 24.7 80 81 A E T 3 S+ 0 0 154 1,-0.3 -2,-0.0 -2,-0.2 -3,-0.0 0.706 103.2 66.1 -60.7 -17.1 65.3 47.4 21.6 81 82 A T T 3 S+ 0 0 116 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.675 81.6 86.9 -78.9 -18.5 65.2 50.8 19.9 82 83 A D < + 0 0 35 -3,-2.1 -4,-0.0 1,-0.1 0, 0.0 -0.705 47.9 165.9 -80.7 131.9 68.4 51.9 21.6 83 84 A T + 0 0 117 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.425 30.1 118.1-127.2 -2.6 71.4 50.8 19.6 84 85 A F S S- 0 0 72 1,-0.1 29,-0.1 28,-0.0 28,-0.1 -0.260 75.3 -84.7 -67.9 154.0 74.3 52.7 21.1 85 86 A P - 0 0 59 0, 0.0 2,-0.8 0, 0.0 25,-0.2 -0.268 33.7-135.3 -59.6 140.9 77.3 50.9 22.7 86 87 A L + 0 0 2 23,-2.3 29,-0.9 1,-0.1 27,-0.2 -0.892 28.9 171.5-100.9 107.7 76.9 49.9 26.3 87 88 A V + 0 0 55 -2,-0.8 -1,-0.1 27,-0.1 2,-0.1 0.627 49.5 78.4 -92.8 -16.0 80.2 50.9 28.0 88 89 A H S S- 0 0 6 27,-0.1 28,-1.7 1,-0.1 2,-0.5 -0.336 87.1-102.5 -89.9 172.8 79.3 50.3 31.7 89 90 A E E -de 71 116A 45 -19,-0.6 -17,-2.3 -21,-0.3 2,-0.4 -0.848 48.8-158.7 -90.3 126.8 79.0 47.2 33.8 90 91 A H E -de 72 117A 0 26,-3.5 28,-2.8 -2,-0.5 2,-0.5 -0.888 20.4-162.0-116.1 145.0 75.2 46.6 34.1 91 92 A I E +de 73 118A 0 -19,-2.5 -17,-2.5 -2,-0.4 2,-0.3 -0.996 45.5 105.6-121.0 122.3 73.1 44.7 36.5 92 93 A Q E S- e 0 119A 2 26,-1.3 28,-2.4 -2,-0.5 2,-0.9 -0.975 77.5 -84.0-176.9 174.9 69.6 43.9 35.2 93 94 A F + 0 0 17 -18,-2.2 26,-0.1 -2,-0.3 -2,-0.1 -0.913 47.9 171.2 -96.8 105.4 67.2 41.2 33.8 94 95 A A - 0 0 5 -2,-0.9 -1,-0.2 -17,-0.1 -16,-0.1 0.661 26.8-148.4 -92.6 -19.1 68.4 41.4 30.1 95 96 A H + 0 0 44 -3,-0.1 11,-0.1 1,-0.1 -2,-0.1 0.933 61.2 114.7 50.3 56.8 66.4 38.4 28.9 96 97 A C + 0 0 0 3,-0.1 3,-0.3 10,-0.1 11,-0.1 0.186 49.9 77.7-138.7 17.2 69.0 37.4 26.2 97 98 A Y S S+ 0 0 16 1,-0.2 -2,-0.0 2,-0.1 -1,-0.0 0.381 87.2 59.9-106.8 0.1 70.3 34.0 27.4 98 99 A K S S- 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.111 119.4 -96.9-119.3 35.7 67.3 31.9 26.3 99 100 A D + 0 0 96 -3,-0.3 3,-0.1 1,-0.2 -3,-0.1 0.766 61.6 176.6 56.2 30.7 67.4 32.7 22.6 100 101 A Q > - 0 0 45 1,-0.2 3,-2.2 2,-0.1 4,-0.2 -0.277 48.0 -75.5 -61.1 151.0 64.8 35.5 22.9 101 102 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 -0.275 121.2 9.3 -52.1 121.9 64.1 37.4 19.7 102 103 A G T 3> S+ 0 0 32 -3,-0.1 4,-1.7 3,-0.0 -1,-0.3 0.647 81.5 140.1 82.0 17.2 67.0 39.7 19.1 103 104 A W H <> + 0 0 22 -3,-2.2 4,-2.1 1,-0.2 5,-0.2 0.867 69.5 55.1 -61.6 -36.8 69.3 38.3 21.9 104 105 A Q H > S+ 0 0 71 1,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.902 106.2 51.6 -63.3 -40.2 72.4 38.6 19.7 105 106 A N H > S+ 0 0 80 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.887 106.7 55.0 -63.0 -38.8 71.8 42.3 19.1 106 107 A V H >X S+ 0 0 48 -4,-1.7 4,-0.9 1,-0.2 3,-0.8 0.968 111.9 42.3 -58.5 -53.9 71.4 42.8 22.9 107 108 A L H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-0.5 0.877 105.6 64.0 -62.3 -38.0 74.8 41.3 23.5 108 109 A X H 3X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.809 96.3 58.9 -57.8 -29.3 76.4 43.1 20.6 109 110 A R H S+ 0 0 0 -4,-0.9 5,-2.2 -3,-0.5 4,-1.1 0.913 114.3 52.0 -69.0 -43.6 77.8 45.3 25.3 111 112 A I H ><5S+ 0 0 31 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.924 109.6 49.1 -58.8 -46.2 80.5 43.8 23.0 112 113 A K H 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.889 118.5 38.7 -62.3 -40.6 80.8 47.0 21.0 113 114 A G H 3<5S- 0 0 7 -4,-1.6 -1,-0.2 -27,-0.2 -2,-0.2 0.502 106.6-122.1 -90.3 -2.4 81.1 49.2 24.1 114 115 A H T <<5 + 0 0 146 -4,-1.1 -3,-0.2 -3,-0.5 -27,-0.1 0.806 63.9 147.6 65.0 29.7 83.2 46.7 26.1 115 116 A G < - 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