==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-FEB-11 2Y93 . COMPND 2 MOLECULE: CIS-2,3-DIHYDROBIPHENYL-2,3-DIOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR S.DHINDWAL,D.N.PATIL,P.KUMAR . 536 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 378 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.4 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 1 0 3 0 0 1 1 4 0 0 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 6 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 155 0, 0.0 3,-0.6 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 62.9 10.0 8.7 12.6 2 2 A K T 3 + 0 0 42 1,-0.2 231,-0.2 229,-0.0 27,-0.1 0.663 360.0 49.0 -77.3 -19.6 7.4 8.9 15.4 3 3 A L T > + 0 0 0 25,-1.8 3,-2.1 22,-0.1 -1,-0.2 0.089 68.6 151.3-117.6 21.6 8.8 12.2 16.7 4 4 A T T < S+ 0 0 91 -3,-0.6 26,-0.2 1,-0.3 25,-0.1 -0.352 78.5 11.5 -57.9 123.0 9.2 14.4 13.7 5 5 A G T 3 S+ 0 0 42 24,-1.2 -1,-0.3 1,-0.3 2,-0.1 0.166 100.5 122.9 93.5 -18.3 8.8 18.0 14.8 6 6 A E < - 0 0 31 -3,-2.1 25,-2.4 75,-0.0 2,-0.4 -0.438 49.3-148.5 -79.1 151.2 9.0 17.2 18.5 7 7 A V E -a 31 0A 3 23,-0.2 74,-2.3 -2,-0.1 75,-2.3 -0.986 13.8-170.9-121.0 128.7 11.6 18.8 20.9 8 8 A A E -ab 32 82A 1 23,-3.1 25,-2.9 -2,-0.4 2,-0.5 -0.893 14.3-155.5-115.9 146.3 13.0 16.9 23.9 9 9 A L E -ab 33 83A 0 73,-2.4 75,-3.4 -2,-0.3 2,-0.5 -0.996 18.5-173.7-115.5 127.5 15.2 18.1 26.8 10 10 A I E > -ab 34 84A 0 23,-2.6 25,-1.9 -2,-0.5 3,-0.6 -0.979 13.4-148.9-126.0 122.6 17.2 15.3 28.4 11 11 A T E 3 S+a 35 0A 1 73,-2.1 25,-0.2 -2,-0.5 75,-0.2 -0.708 86.0 17.1 -89.4 142.5 19.4 15.6 31.5 12 12 A G T 3 S+ 0 0 11 23,-3.0 3,-0.4 -2,-0.3 6,-0.4 0.845 83.9 141.7 68.2 33.9 22.4 13.3 31.8 13 13 A G < + 0 0 0 22,-0.8 9,-0.2 -3,-0.6 23,-0.1 0.333 42.1 83.6 -92.5 7.2 22.2 12.7 28.1 14 14 A A S S+ 0 0 3 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.802 102.8 5.5 -80.1 -30.1 26.0 12.7 27.2 15 15 A S S >> S+ 0 0 61 -3,-0.4 4,-0.7 4,-0.0 3,-0.7 -0.905 107.0 16.1-144.6 173.0 26.6 9.1 28.2 16 16 A G H 3> S- 0 0 30 -2,-0.3 4,-2.0 1,-0.2 3,-0.5 -0.230 121.5 -17.6 64.8-150.1 24.8 5.9 29.3 17 17 A L H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.837 136.4 62.5 -55.7 -37.6 21.0 5.5 28.9 18 18 A G H <> S+ 0 0 1 -3,-0.7 4,-2.0 -6,-0.4 -1,-0.2 0.911 106.1 44.1 -51.9 -47.9 20.8 9.3 28.5 19 19 A R H X S+ 0 0 56 -4,-0.7 4,-2.8 -3,-0.5 -2,-0.2 0.886 110.1 54.0 -67.5 -43.2 22.9 9.1 25.3 20 20 A A H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.871 110.4 49.5 -55.8 -38.6 21.0 6.1 24.0 21 21 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.911 110.1 49.5 -66.6 -45.8 17.8 8.2 24.5 22 22 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 113.4 46.7 -57.9 -47.2 19.4 11.2 22.6 23 23 A D H X S+ 0 0 63 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.902 114.7 47.0 -63.7 -43.3 20.4 8.9 19.8 24 24 A R H X S+ 0 0 41 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.936 111.7 49.9 -62.8 -47.9 17.0 7.3 19.6 25 25 A F H <>S+ 0 0 2 -4,-3.1 5,-2.3 1,-0.2 3,-0.4 0.915 111.3 48.3 -60.6 -44.9 15.1 10.6 19.7 26 26 A V H ><5S+ 0 0 20 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.909 108.8 53.8 -59.9 -44.1 17.2 12.1 16.9 27 27 A A H 3<5S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 104.8 57.0 -61.3 -26.9 16.7 9.0 14.8 28 28 A E T 3<5S- 0 0 23 -4,-1.4 -25,-1.8 -3,-0.4 -1,-0.3 0.382 126.8 -99.3 -85.7 2.3 12.9 9.5 15.3 29 29 A G T < 5S+ 0 0 18 -3,-1.8 -24,-1.2 1,-0.3 -3,-0.2 0.468 80.6 133.1 95.4 3.0 13.0 13.0 13.8 30 30 A A < - 0 0 1 -5,-2.3 2,-0.4 -26,-0.2 -1,-0.3 -0.407 52.8-129.9 -84.5 160.9 13.1 14.9 17.2 31 31 A R E -a 7 0A 106 -25,-2.4 -23,-3.1 -28,-0.2 2,-0.5 -0.923 26.3-155.1-111.4 140.7 15.4 17.7 18.2 32 32 A V E -ac 8 53A 0 20,-3.1 22,-2.5 -2,-0.4 2,-0.5 -0.961 17.4-162.2-131.4 121.1 17.2 17.3 21.6 33 33 A A E -ac 9 54A 0 -25,-2.9 -23,-2.6 -2,-0.5 2,-0.5 -0.861 23.0-156.7 -92.4 131.8 18.6 19.7 24.1 34 34 A V E -ac 10 55A 0 20,-3.0 22,-3.1 -2,-0.5 2,-0.6 -0.943 11.9-164.0-118.7 122.0 21.1 18.0 26.5 35 35 A L E +ac 11 56A 0 -25,-1.9 -23,-3.0 -2,-0.5 -22,-0.8 -0.919 33.5 135.7 -98.0 121.7 22.1 19.0 30.0 36 36 A D E - c 0 57A 21 20,-1.7 22,-1.8 -2,-0.6 6,-0.0 -0.968 57.8-116.5-156.1 170.2 25.2 17.3 31.2 37 37 A K S S+ 0 0 123 -2,-0.3 2,-0.8 20,-0.2 20,-0.1 0.757 87.4 82.4 -83.4 -27.7 28.5 18.0 33.0 38 38 A S > - 0 0 24 1,-0.2 4,-1.8 19,-0.1 5,-0.1 -0.725 52.0-172.0 -91.7 108.5 31.0 17.1 30.3 39 39 A A H > S+ 0 0 32 -2,-0.8 4,-2.1 2,-0.2 5,-0.2 0.912 87.6 49.6 -58.5 -47.0 31.7 19.9 27.8 40 40 A E H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 112.1 47.0 -62.9 -44.6 33.8 17.7 25.5 41 41 A R H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.808 111.7 52.1 -66.9 -31.9 31.2 14.8 25.4 42 42 A L H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.882 109.7 47.8 -70.0 -39.6 28.4 17.3 24.8 43 43 A R H X S+ 0 0 136 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.851 109.6 52.7 -71.2 -36.3 30.2 18.8 21.8 44 44 A E H X S+ 0 0 128 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.868 111.4 48.3 -62.2 -39.8 31.0 15.4 20.3 45 45 A L H X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.900 107.6 54.4 -66.0 -47.0 27.3 14.6 20.7 46 46 A E H >< S+ 0 0 44 -4,-2.3 3,-0.6 1,-0.2 5,-0.3 0.917 110.4 45.6 -54.3 -47.9 26.2 17.9 19.0 47 47 A V H >< S+ 0 0 117 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.772 106.3 59.7 -71.7 -27.4 28.4 17.2 15.9 48 48 A A H 3< S+ 0 0 62 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 117.0 33.3 -66.2 -26.9 27.1 13.6 15.7 49 49 A H T X< S- 0 0 28 -4,-1.2 3,-3.0 -3,-0.6 4,-0.3 0.133 90.9-159.4-116.3 20.2 23.6 15.0 15.3 50 50 A G T < S- 0 0 62 -3,-0.7 -3,-0.1 1,-0.3 4,-0.1 0.452 75.8 -4.8 -13.1 100.4 24.3 18.2 13.4 51 51 A G T 3 S+ 0 0 46 2,-0.5 -1,-0.3 -5,-0.3 -4,-0.1 0.087 122.2 76.2 98.6 -21.6 21.3 20.5 13.9 52 52 A N S < S+ 0 0 49 -3,-3.0 -20,-3.1 -6,-0.2 2,-0.4 0.436 93.6 51.3-100.8 -2.2 19.1 18.1 15.8 53 53 A A E -c 32 0A 10 -7,-0.3 -2,-0.5 -4,-0.3 2,-0.4 -0.996 55.3-170.5-138.7 142.1 21.0 18.4 19.1 54 54 A V E -c 33 0A 9 -22,-2.5 -20,-3.0 -2,-0.4 2,-0.5 -0.997 16.1-149.8-129.7 135.4 22.1 21.2 21.3 55 55 A G E -c 34 0A 11 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.913 10.5-172.2-114.0 129.1 24.5 20.6 24.3 56 56 A V E -c 35 0A 7 -22,-3.1 -20,-1.7 -2,-0.5 2,-0.3 -0.978 16.8-140.7-125.2 119.2 24.5 22.7 27.4 57 57 A V E +c 36 0A 61 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.588 48.9 109.8 -75.2 134.3 27.2 22.3 30.1 58 58 A G - 0 0 12 -22,-1.8 2,-0.5 -2,-0.3 -2,-0.1 -0.960 64.7 -83.8 172.0 173.6 25.9 22.5 33.7 59 59 A D > - 0 0 55 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 -0.875 22.8-147.2-105.8 124.8 25.0 20.9 37.0 60 60 A V T 3 S+ 0 0 16 -2,-0.5 61,-0.2 1,-0.3 -1,-0.1 0.743 98.9 63.6 -61.7 -24.2 21.6 19.1 37.3 61 61 A R T 3 S+ 0 0 92 60,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.570 90.1 83.4 -73.7 -11.4 21.6 20.1 41.0 62 62 A S <> - 0 0 38 -3,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.866 62.2-160.3-105.4 119.2 21.5 23.8 40.0 63 63 A L H > S+ 0 0 54 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.844 96.0 56.9 -59.6 -34.9 18.2 25.5 39.1 64 64 A Q H > S+ 0 0 120 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.929 108.6 44.7 -65.6 -44.9 20.1 28.2 37.2 65 65 A D H > S+ 0 0 37 -6,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 112.4 52.7 -64.7 -35.1 21.9 25.6 35.0 66 66 A Q H X S+ 0 0 1 -4,-2.1 4,-1.8 -7,-0.2 -2,-0.2 0.900 110.2 48.6 -65.1 -41.3 18.5 23.8 34.5 67 67 A K H X S+ 0 0 75 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.907 108.2 53.9 -63.2 -44.8 17.1 27.2 33.4 68 68 A R H X S+ 0 0 104 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.892 108.0 50.4 -54.1 -45.8 20.0 27.8 31.1 69 69 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.884 111.8 47.1 -61.5 -43.5 19.3 24.4 29.4 70 70 A A H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.908 113.8 47.4 -65.6 -45.1 15.6 25.3 28.9 71 71 A E H X S+ 0 0 116 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.891 112.6 49.7 -61.0 -43.0 16.4 28.8 27.6 72 72 A R H X S+ 0 0 116 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.876 111.6 48.5 -64.4 -40.4 19.0 27.3 25.2 73 73 A C H X>S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.7 0.931 111.7 49.6 -63.5 -48.3 16.5 24.7 24.0 74 74 A L H X5S+ 0 0 66 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.896 111.7 49.5 -56.4 -43.6 13.9 27.4 23.5 75 75 A A H <5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 117.9 37.7 -68.6 -33.2 16.4 29.5 21.5 76 76 A A H <5S+ 0 0 48 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.847 135.2 16.4 -88.1 -36.0 17.5 26.6 19.2 77 77 A F H <5S- 0 0 36 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.542 91.8-126.5-120.2 -14.5 14.2 24.8 18.6 78 78 A G S < - 0 0 0 102,-0.2 3,-1.1 -2,-0.1 107,-0.1 0.297 46.0-112.9-115.8 6.0 25.3 4.4 46.1 92 92 A Y T 3 - 0 0 86 1,-0.2 3,-0.1 100,-0.1 59,-0.1 0.550 63.0 -75.0 73.2 13.8 27.2 1.2 45.2 93 93 A S T 3 S+ 0 0 35 1,-0.2 2,-0.6 57,-0.1 -1,-0.2 0.778 77.7 179.1 61.9 30.6 24.5 -0.8 47.0 94 94 A T < - 0 0 25 -3,-1.1 60,-0.4 58,-0.1 -1,-0.2 -0.527 21.1-136.3 -68.7 110.4 26.0 0.4 50.3 95 95 A A >> - 0 0 44 -2,-0.6 3,-1.0 57,-0.2 4,-0.6 -0.177 21.0-108.4 -60.2 155.6 24.0 -1.1 53.1 96 96 A L G >4 S+ 0 0 127 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.869 120.6 54.6 -52.0 -44.0 23.0 1.1 56.1 97 97 A A G 34 S+ 0 0 96 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.713 109.4 48.9 -65.7 -22.0 25.4 -0.8 58.4 98 98 A D G <4 S+ 0 0 119 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.437 83.1 104.6 -99.2 -3.7 28.3 -0.0 55.9 99 99 A L S << S- 0 0 14 -3,-1.0 5,-0.1 -4,-0.6 2,-0.1 -0.711 77.6-123.5 -77.1 116.1 27.6 3.7 55.5 100 100 A P >> - 0 0 49 0, 0.0 3,-1.7 0, 0.0 4,-1.6 -0.389 9.2-132.2 -65.1 138.8 30.3 5.5 57.6 101 101 A E T 34 S+ 0 0 174 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.829 109.9 50.6 -58.8 -36.0 28.9 7.8 60.3 102 102 A D T 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.538 117.0 43.1 -77.2 -6.2 31.2 10.6 59.2 103 103 A K T <> S+ 0 0 78 -3,-1.7 4,-2.7 2,-0.1 -2,-0.2 0.606 88.1 83.1-113.5 -20.8 30.0 10.1 55.6 104 104 A I H X S+ 0 0 48 -4,-1.6 4,-2.4 1,-0.2 5,-0.2 0.824 89.7 52.1 -60.7 -38.4 26.2 9.6 55.7 105 105 A D H > S+ 0 0 125 -4,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.927 115.8 40.2 -66.8 -45.8 25.3 13.3 55.8 106 106 A A H > S+ 0 0 47 2,-0.2 4,-3.0 -4,-0.2 -2,-0.2 0.954 115.2 51.5 -65.2 -52.7 27.4 14.2 52.7 107 107 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.884 108.4 52.8 -50.9 -46.9 26.4 11.0 50.8 108 108 A F H X S+ 0 0 95 -4,-2.4 4,-2.5 -5,-0.2 5,-0.3 0.930 111.9 44.7 -54.4 -51.0 22.7 11.7 51.5 109 109 A D H X S+ 0 0 77 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.946 112.8 51.6 -61.3 -47.3 23.0 15.2 50.0 110 110 A D H X S+ 0 0 40 -4,-3.0 4,-1.3 1,-0.2 5,-0.2 0.920 117.5 36.6 -56.8 -49.4 25.1 14.0 47.0 111 111 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -22,-0.3 0.878 121.1 45.2 -73.7 -38.7 22.6 11.3 46.0 112 112 A F H X>S+ 0 0 39 -4,-2.5 5,-2.4 -5,-0.3 4,-2.1 0.878 109.8 54.5 -74.9 -37.3 19.4 13.2 46.9 113 113 A H H <>S+ 0 0 52 -4,-3.0 5,-1.1 -5,-0.3 -1,-0.2 0.889 119.9 32.6 -60.7 -43.8 20.5 16.5 45.2 114 114 A V H <5S+ 0 0 18 -4,-1.3 4,-0.3 -5,-0.3 -2,-0.2 0.963 125.2 41.2 -74.0 -54.3 21.2 14.8 41.9 115 115 A N H <5S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.771 134.2 9.3 -71.3 -33.1 18.5 12.1 42.0 116 116 A V T >X5S+ 0 0 20 -4,-2.1 4,-1.9 -5,-0.2 3,-0.5 0.772 129.6 45.3-116.2 -55.0 15.5 14.0 43.4 117 117 A K H 3> S+ 0 0 1 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.868 111.7 48.9 -77.0 -42.1 14.5 16.2 38.7 120 120 A I H X S+ 0 0 81 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.877 111.9 48.6 -63.0 -44.3 12.5 18.9 40.6 121 121 A H H X S+ 0 0 36 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.827 108.3 54.8 -66.0 -35.2 14.7 21.6 39.2 122 122 A A H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.909 111.8 42.7 -65.8 -44.3 14.4 20.3 35.6 123 123 A V H X S+ 0 0 7 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.962 113.8 52.5 -65.7 -51.5 10.5 20.4 35.8 124 124 A K H < S+ 0 0 137 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.910 113.2 43.7 -48.2 -51.4 10.6 23.8 37.5 125 125 A A H < S+ 0 0 18 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.857 120.4 40.0 -65.2 -38.7 12.8 25.3 34.8 126 126 A C H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.491 89.0 99.7 -89.9 -4.8 10.9 23.7 31.8 127 127 A L H X S+ 0 0 22 -4,-1.5 4,-2.7 -3,-0.5 5,-0.3 0.879 79.1 48.4 -55.0 -53.1 7.5 24.2 33.3 128 128 A P H > S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.929 115.4 46.6 -54.2 -46.1 6.4 27.4 31.3 129 129 A A H > S+ 0 0 12 -4,-0.3 4,-2.4 2,-0.2 -49,-0.4 0.861 113.2 48.7 -61.3 -38.3 7.5 25.7 28.0 130 130 A L H X>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-1.1 0.886 111.9 47.3 -74.2 -40.2 5.8 22.4 28.9 131 131 A V H <5S+ 0 0 6 -4,-2.7 3,-0.3 3,-0.2 -2,-0.2 0.924 113.0 51.7 -59.9 -45.5 2.5 24.1 29.8 132 132 A S H <5S+ 0 0 77 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.916 118.6 35.0 -58.6 -47.3 2.8 26.2 26.6 133 133 A S H <5S- 0 0 23 -4,-2.4 -1,-0.2 -53,-0.3 -2,-0.2 0.572 104.1-125.4 -83.0 -8.8 3.3 23.1 24.4 134 134 A R T <5 + 0 0 97 -4,-1.1 -3,-0.2 -3,-0.3 43,-0.1 0.946 60.6 160.6 57.7 47.9 0.9 20.9 26.5 135 135 A G < - 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