==== 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 19-JUL-04 1U2G . COMPND 2 MOLECULE: NAD(P) TRANSHYDROGENASE SUBUNIT ALPHA PART 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM; . AUTHOR O.C.MATHER,A.SINGH,G.I.VAN BOXEL,S.A.WHITE,J.B.JACKSON . 911 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 663 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 123 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 86 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 219 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 4 5 1 2 3 2 1 2 1 0 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 4 12 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 PARALLEL BRIDGES PER LADDER . 1 5 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 . 4 0 0 0 0 3 2 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 M 0 0 56 0, 0.0 31,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 103.3 28.8 0.2 27.8 2 2 A K E -a 32 0A 45 65,-0.4 67,-1.2 29,-0.2 68,-1.1 -0.853 360.0-165.2-109.1 137.0 26.5 -2.1 29.9 3 3 A I E -ab 33 70A 0 29,-2.2 31,-2.6 -2,-0.4 2,-0.3 -0.979 15.0-167.7-117.8 133.0 22.7 -2.3 29.9 4 4 A A E -ab 34 71A 0 66,-2.0 68,-2.4 -2,-0.4 31,-0.2 -0.917 15.1-165.8-127.1 149.3 21.0 -4.1 32.7 5 5 A I E -a 35 0A 0 29,-2.2 31,-2.4 -2,-0.3 68,-0.1 -0.951 13.4-162.9-134.8 110.7 17.4 -5.4 33.5 6 6 A P - 0 0 1 0, 0.0 11,-0.4 0, 0.0 2,-0.2 -0.380 31.4 -91.9 -85.1 169.0 16.4 -6.4 37.0 7 7 A K - 0 0 74 30,-0.1 2,-0.4 -2,-0.1 9,-0.1 -0.551 45.3-106.6 -73.5 145.6 13.4 -8.5 38.1 8 8 A E - 0 0 3 7,-0.5 -1,-0.1 31,-0.4 5,-0.0 -0.637 35.0-176.0 -74.9 128.4 10.3 -6.6 38.9 9 9 A R + 0 0 104 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.587 43.6 110.8-104.3 -15.6 9.8 -6.6 42.7 10 10 A R S > S- 0 0 39 1,-0.1 3,-2.2 2,-0.1 65,-0.0 -0.381 85.8 -87.0 -65.2 138.8 6.5 -4.8 43.1 11 11 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.198 110.3 6.5 -51.5 128.1 3.7 -7.1 44.3 12 12 A G T 3 S+ 0 0 61 1,-0.2 2,-0.8 -3,-0.1 -2,-0.1 0.397 89.1 135.6 82.7 -1.6 1.9 -8.9 41.4 13 13 A E < + 0 0 4 -3,-2.2 -1,-0.2 1,-0.2 29,-0.1 -0.727 15.8 161.2 -86.3 110.4 4.3 -7.6 38.7 14 14 A D + 0 0 79 -2,-0.8 -1,-0.2 28,-0.1 318,-0.1 0.396 41.9 101.1-107.3 -1.9 5.2 -10.5 36.4 15 15 A R - 0 0 9 27,-0.1 -7,-0.5 28,-0.1 2,-0.3 -0.304 52.5-158.8 -79.6 168.1 6.4 -8.5 33.3 16 16 A V - 0 0 0 312,-0.3 2,-0.9 2,-0.1 320,-0.3 -0.988 23.9-126.6-148.4 144.6 10.1 -7.9 32.4 17 17 A A S S+ 0 0 0 -11,-0.4 2,-0.3 -2,-0.3 23,-0.0 -0.214 84.0 61.6 -89.4 46.1 11.8 -5.2 30.3 18 18 A I - 0 0 0 -2,-0.9 318,-0.1 -13,-0.0 -2,-0.1 -0.990 50.0-175.8-161.6 157.5 13.6 -7.7 28.1 19 19 A S > - 0 0 5 -2,-0.3 4,-2.2 317,-0.1 5,-0.2 -0.966 42.4-107.5-148.8 158.8 13.3 -10.6 25.5 20 20 A P H > S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.897 120.5 51.8 -50.7 -44.8 15.8 -12.8 23.7 21 21 A E H > S+ 0 0 108 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.915 110.1 47.1 -58.5 -47.6 15.1 -11.0 20.4 22 22 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.827 106.9 58.0 -68.1 -32.8 15.7 -7.5 22.0 23 23 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.946 104.0 52.4 -59.2 -49.1 19.0 -8.8 23.6 24 24 A K H X S+ 0 0 143 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.893 110.3 47.8 -52.9 -46.6 20.3 -9.7 20.2 25 25 A K H X S+ 0 0 136 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.874 111.0 50.9 -63.5 -40.3 19.6 -6.2 18.8 26 26 A L H X>S+ 0 0 0 -4,-2.1 5,-1.8 2,-0.2 4,-0.7 0.883 108.1 51.7 -66.9 -40.0 21.2 -4.6 21.9 27 27 A V H ><5S+ 0 0 64 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.897 107.8 53.5 -61.3 -41.1 24.4 -6.7 21.5 28 28 A G H 3<5S+ 0 0 71 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.776 105.1 53.8 -64.4 -29.1 24.5 -5.6 17.8 29 29 A L H 3<5S- 0 0 41 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.637 130.9 -95.5 -77.6 -17.4 24.3 -1.9 18.9 30 30 A G T <<5S+ 0 0 26 -3,-0.8 2,-0.3 -4,-0.7 -3,-0.2 0.723 76.0 139.2 109.4 32.2 27.4 -2.6 21.2 31 31 A F < - 0 0 8 -5,-1.8 2,-0.7 -8,-0.2 -1,-0.3 -0.816 50.8-138.6-105.9 142.7 25.9 -3.4 24.6 32 32 A E E -a 2 0A 111 -31,-1.8 -29,-2.2 -2,-0.3 2,-0.6 -0.920 32.3-148.7 -87.8 113.2 26.8 -6.0 27.2 33 33 A V E -ac 3 55A 1 -2,-0.7 23,-2.8 21,-0.5 2,-0.5 -0.784 16.9-174.5 -95.2 119.9 23.4 -7.1 28.3 34 34 A I E -ac 4 56A 24 -31,-2.6 -29,-2.2 -2,-0.6 2,-0.4 -0.956 0.5-174.1-117.7 117.6 23.0 -8.2 31.9 35 35 A V E -ac 5 57A 0 21,-2.3 23,-2.3 -2,-0.5 2,-0.2 -0.883 29.2-112.9-109.9 141.6 19.7 -9.6 33.1 36 36 A E E > - c 0 58A 8 -31,-2.4 3,-1.9 -2,-0.4 4,-0.2 -0.531 45.1 -93.7 -70.6 137.6 19.0 -10.5 36.7 37 37 A Q T 3 S+ 0 0 105 21,-3.2 -30,-0.1 1,-0.3 -1,-0.1 -0.229 107.5 6.6 -50.6 130.8 18.6 -14.2 37.4 38 38 A G T > S+ 0 0 17 1,-0.1 3,-1.1 -3,-0.1 4,-0.3 0.572 86.8 129.8 72.6 12.2 15.0 -15.4 37.2 39 39 A A T < S+ 0 0 4 -3,-1.9 -31,-0.4 1,-0.2 3,-0.3 0.770 72.2 47.5 -70.1 -26.8 13.7 -12.0 36.0 40 40 A G T 3 >S+ 0 0 0 5,-0.3 5,-3.3 -4,-0.2 3,-0.4 0.273 77.5 105.5 -98.3 10.5 11.7 -13.5 33.1 41 41 A V T X 5S+ 0 0 115 -3,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.907 82.7 46.9 -58.0 -46.9 10.0 -16.3 35.1 42 42 A G T 3 5S+ 0 0 25 -4,-0.3 287,-0.2 -3,-0.3 -1,-0.2 0.747 116.0 45.6 -67.4 -25.7 6.6 -14.6 35.1 43 43 A A T 3 5S- 0 0 3 -3,-0.4 -1,-0.3 2,-0.2 -2,-0.2 0.241 115.4-115.2 -98.9 9.3 6.9 -13.8 31.3 44 44 A S T < 5S+ 0 0 42 -3,-1.3 2,-0.6 1,-0.2 -3,-0.2 0.804 71.3 138.6 58.4 33.4 8.1 -17.4 30.5 45 45 A I < - 0 0 17 -5,-3.3 -5,-0.3 -7,-0.1 -1,-0.2 -0.945 42.3-148.6-109.8 112.9 11.5 -16.1 29.4 46 46 A T > - 0 0 55 -2,-0.6 4,-1.6 1,-0.1 5,-0.1 -0.341 21.4-121.5 -83.0 159.5 14.2 -18.4 30.8 47 47 A D H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 113.8 56.6 -60.0 -43.2 17.8 -17.5 31.8 48 48 A D H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 106.4 48.0 -58.2 -42.1 19.1 -20.0 29.2 49 49 A A H > S+ 0 0 36 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.860 111.9 49.4 -69.6 -38.2 17.2 -18.2 26.3 50 50 A L H <>S+ 0 0 0 -4,-1.6 5,-1.8 2,-0.2 4,-0.4 0.913 112.7 48.9 -62.0 -44.5 18.5 -14.8 27.4 51 51 A T H ><5S+ 0 0 70 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.907 108.4 52.2 -61.5 -45.6 22.0 -16.3 27.6 52 52 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.9 57.1 -61.8 -32.0 21.7 -17.8 24.1 53 53 A A T 3<5S- 0 0 15 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.573 133.4 -89.6 -75.4 -11.8 20.7 -14.4 22.8 54 54 A G T < 5S+ 0 0 42 -3,-1.4 -21,-0.5 -4,-0.4 2,-0.2 0.644 82.1 131.8 113.1 23.3 23.9 -13.0 24.1 55 55 A A E < -c 33 0A 7 -5,-1.8 2,-0.4 -8,-0.1 -1,-0.3 -0.665 48.7-132.6-101.5 157.8 23.2 -11.9 27.7 56 56 A T E -c 34 0A 91 -23,-2.8 -21,-2.3 -2,-0.2 2,-0.5 -0.863 21.1-133.0-102.5 144.2 25.0 -12.5 31.0 57 57 A I E -c 35 0A 51 -2,-0.4 2,-0.4 -23,-0.2 -21,-0.2 -0.865 16.1-157.9-101.3 128.8 23.1 -13.6 34.0 58 58 A A E -c 36 0A 11 -23,-2.3 -21,-3.2 -2,-0.5 6,-0.1 -0.861 16.3-136.6-107.4 143.5 23.7 -11.8 37.4 59 59 A S S S+ 0 0 65 -2,-0.4 2,-0.3 -23,-0.2 -1,-0.1 0.788 81.8 20.7 -71.4 -31.8 22.8 -13.5 40.7 60 60 A T S > S- 0 0 67 1,-0.1 4,-1.4 -24,-0.0 -23,-0.1 -0.841 76.5-111.3-133.7 170.3 21.2 -10.5 42.4 61 61 A A H > S+ 0 0 13 -2,-0.3 4,-1.6 2,-0.2 5,-0.1 0.888 117.4 49.5 -68.1 -43.0 19.6 -7.1 41.5 62 62 A A H > S+ 0 0 45 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 110.5 51.1 -62.1 -41.7 22.4 -5.1 43.0 63 63 A Q H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.816 109.8 49.8 -68.4 -32.4 25.0 -7.1 41.1 64 64 A A H < S+ 0 0 1 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 117.7 39.1 -71.8 -35.0 23.1 -6.6 37.8 65 65 A L H >< S+ 0 0 5 -4,-1.6 26,-0.9 1,-0.1 3,-0.5 0.563 91.2 91.8 -93.0 -10.5 22.8 -2.8 38.2 66 66 A S T 3< S+ 0 0 57 -4,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.858 102.9 18.5 -57.5 -47.6 26.3 -2.2 39.7 67 67 A Q T 3 S+ 0 0 122 -4,-0.4 2,-0.5 -3,-0.2 -65,-0.4 0.290 94.6 124.4-108.2 7.5 28.2 -1.4 36.5 68 68 A A < - 0 0 0 -3,-0.5 23,-0.4 1,-0.1 -65,-0.2 -0.584 38.2-173.3 -77.8 119.0 25.2 -0.7 34.3 69 69 A D S S+ 0 0 45 -67,-1.2 26,-1.3 -2,-0.5 2,-0.3 0.397 80.3 35.0 -93.1 0.6 25.4 2.8 32.6 70 70 A V E S-bd 3 95A 0 -68,-1.1 -66,-2.0 24,-0.2 2,-0.4 -0.953 73.4-163.2-147.1 140.1 21.8 2.3 31.3 71 71 A V E -bd 4 96A 1 24,-3.2 26,-2.7 -2,-0.3 2,-0.5 -0.980 4.5-160.0-126.6 135.4 18.9 0.5 33.1 72 72 A W E + d 0 97A 0 -68,-2.4 2,-0.3 -2,-0.4 -55,-0.2 -0.960 21.3 161.8-113.7 128.8 15.6 -0.8 31.7 73 73 A K E - 0 0 5 24,-2.0 26,-0.3 -2,-0.5 3,-0.1 -0.927 36.3-141.5-136.5 161.6 12.7 -1.5 34.0 74 74 A V E S+ 0 0 0 -2,-0.3 25,-2.7 24,-0.2 -1,-0.2 0.897 88.0 23.6 -82.5 -78.8 8.9 -2.0 33.7 75 75 A Q E S- d 0 99A 38 23,-0.2 -1,-0.2 1,-0.2 25,-0.2 -0.408 102.3 -80.4 -87.3 163.9 7.5 -0.2 36.7 76 76 A R - 0 0 40 23,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.176 54.9 -90.7 -62.8 152.8 9.3 2.6 38.6 77 77 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.399 41.3-117.7 -61.3 136.7 12.1 1.8 41.2 78 78 A M - 0 0 23 -3,-0.1 8,-2.5 -2,-0.1 9,-1.0 -0.536 29.8-138.3 -72.0 143.1 10.9 1.3 44.7 79 79 A T >>> - 0 0 11 6,-0.2 3,-0.7 -2,-0.2 4,-0.6 -0.488 26.4-102.0 -97.2 169.9 12.3 3.8 47.2 80 80 A A G >45S+ 0 0 68 1,-0.2 3,-0.9 2,-0.2 5,-0.1 0.864 124.5 58.4 -57.0 -37.0 13.6 3.3 50.8 81 81 A E G 345S+ 0 0 168 1,-0.2 -1,-0.2 3,-0.1 4,-0.1 0.812 103.3 52.2 -61.3 -33.7 10.3 4.7 51.9 82 82 A E G <45S- 0 0 69 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.554 129.6 -88.3 -83.5 -10.6 8.4 2.0 50.0 83 83 A G T <<5S+ 0 0 59 -3,-0.9 2,-0.4 -4,-0.6 -3,-0.1 -0.229 105.4 42.3 135.5 -47.7 10.4 -0.9 51.6 84 84 A T S > S+ 0 0 8 -8,-2.5 4,-1.1 -2,-1.3 3,-0.8 0.764 71.7 67.2 -78.4 -28.8 16.2 0.1 44.3 87 87 A V T 34 S+ 0 0 2 -9,-1.0 3,-0.4 1,-0.2 -1,-0.2 0.867 96.9 56.2 -56.8 -37.5 17.2 3.7 43.3 88 88 A A T 34 S+ 0 0 42 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.2 0.749 100.6 57.7 -66.9 -27.2 20.3 3.1 45.6 89 89 A L T <4 S+ 0 0 59 -3,-0.8 -1,-0.2 -4,-0.4 2,-0.2 0.795 87.6 91.7 -73.0 -30.5 21.3 0.0 43.6 90 90 A I S < S- 0 0 2 -4,-1.1 -24,-0.1 -3,-0.4 3,-0.1 -0.477 87.7-111.8 -69.2 132.8 21.4 2.0 40.3 91 91 A K > - 0 0 76 -26,-0.9 3,-1.4 -23,-0.4 -1,-0.1 -0.328 37.4 -97.2 -64.5 144.7 24.9 3.4 39.6 92 92 A E T 3 S+ 0 0 119 1,-0.2 24,-0.2 -4,-0.1 -1,-0.1 -0.396 107.7 19.0 -63.2 136.3 25.4 7.2 39.8 93 93 A G T 3 S+ 0 0 43 22,-1.4 -1,-0.2 1,-0.3 25,-0.2 0.157 93.0 132.0 91.1 -17.8 25.1 8.9 36.4 94 94 A A < - 0 0 2 -3,-1.4 24,-1.9 21,-0.2 2,-0.4 -0.072 57.7-116.0 -64.3 165.0 23.4 6.0 34.7 95 95 A V E -de 70 118A 25 -26,-1.3 -24,-3.2 22,-0.2 2,-0.5 -0.907 23.9-157.1-107.1 133.5 20.2 6.5 32.5 96 96 A L E -de 71 119A 0 22,-2.6 24,-3.5 -2,-0.4 2,-0.5 -0.937 8.2-174.0-112.7 127.4 16.9 4.9 33.5 97 97 A M E +de 72 120A 0 -26,-2.7 -24,-2.0 -2,-0.5 2,-0.3 -0.975 32.0 112.9-121.9 117.0 14.2 4.1 31.1 98 98 A C E S- e 0 121A 0 22,-1.9 24,-2.2 -2,-0.5 2,-1.4 -0.978 77.6 -72.8-164.5 172.5 10.9 2.8 32.5 99 99 A H E +d 75 0A 63 -25,-2.7 -23,-0.7 -26,-0.3 22,-0.1 -0.712 61.1 169.0 -74.4 92.5 7.2 3.3 33.1 100 100 A L - 0 0 1 -2,-1.4 -1,-0.2 -25,-0.2 8,-0.1 0.715 34.1-144.7 -92.1 -25.5 8.0 5.8 35.8 101 101 A G >> + 0 0 16 -3,-0.1 3,-0.9 1,-0.1 4,-0.6 0.890 34.8 168.7 56.2 42.3 4.7 7.5 36.6 102 102 A A G >4 + 0 0 6 1,-0.2 3,-0.7 2,-0.2 7,-0.2 0.806 62.2 58.3 -58.7 -38.7 6.7 10.7 37.1 103 103 A L G 34 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.801 117.5 31.4 -66.0 -31.1 3.7 13.1 37.3 104 104 A T G <4 S+ 0 0 120 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.267 117.4 58.2-110.1 8.2 2.1 11.4 40.3 105 105 A N + 0 0 144 1,-0.2 4,-1.9 -3,-0.2 5,-0.2 0.815 68.9 67.2 -69.8 -33.4 7.6 13.0 42.7 107 107 A P H > S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.899 101.8 46.5 -53.2 -44.7 9.4 11.2 45.6 108 108 A V H > S+ 0 0 2 -3,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.802 109.2 57.0 -68.4 -28.9 11.0 8.7 43.1 109 109 A V H X S+ 0 0 4 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.904 109.2 43.2 -69.6 -43.2 12.0 11.6 40.8 110 110 A E H X S+ 0 0 91 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.862 110.6 55.7 -71.3 -37.0 14.0 13.4 43.4 111 111 A A H X S+ 0 0 28 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.907 111.3 44.3 -60.5 -43.6 15.7 10.2 44.7 112 112 A L H <>S+ 0 0 0 -4,-1.7 5,-2.5 1,-0.2 3,-0.5 0.862 112.2 53.5 -65.1 -38.9 16.9 9.6 41.2 113 113 A T H ><5S+ 0 0 12 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.865 102.1 58.5 -63.5 -37.9 17.9 13.2 40.9 114 114 A K H 3<5S+ 0 0 165 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.7 46.7 -64.1 -26.7 20.0 12.9 44.1 115 115 A R T 3<5S- 0 0 68 -4,-0.8 -22,-1.4 -3,-0.5 -1,-0.3 0.155 115.9-113.9-101.0 17.2 22.1 10.1 42.5 116 116 A K T < 5 + 0 0 119 -3,-1.6 255,-0.5 1,-0.2 2,-0.4 0.723 61.2 159.9 61.1 25.5 22.6 12.1 39.2 117 117 A I < - 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