==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-NOV-11 3UOE . COMPND 2 MOLECULE: DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR Z.ZHANG,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR,J . 658 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 14.9 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 21 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 1 2 0 0 0 4 1 2 2 4 1 0 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 6 2 1 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 1 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 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 -5 A L > 0 0 162 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 138.5 37.3 -5.1 19.0 2 -4 A Y G > + 0 0 99 1,-0.3 3,-1.8 2,-0.2 326,-0.3 0.889 360.0 44.5 -47.1 -58.2 34.7 -5.0 21.7 3 -3 A F G 3 S+ 0 0 115 1,-0.3 -1,-0.3 325,-0.1 194,-0.0 0.620 117.8 47.5 -70.3 -8.6 34.4 -1.2 22.3 4 -2 A Q G < S+ 0 0 75 -3,-1.5 -1,-0.3 193,-0.1 -2,-0.2 0.302 91.4 110.6-108.2 4.9 34.5 -0.7 18.5 5 -1 A S < - 0 0 38 -3,-1.8 323,-2.0 -4,-0.5 2,-0.3 -0.524 49.7-157.5 -84.6 150.0 31.8 -3.4 17.8 6 0 A X E -A 327 0A 78 321,-0.3 2,-0.4 -2,-0.2 319,-0.1 -0.866 5.5-160.1-119.5 153.9 28.3 -2.7 16.6 7 1 A X E -A 326 0A 76 319,-2.4 319,-2.5 -2,-0.3 2,-0.5 -0.986 13.0-141.3-127.1 148.3 25.0 -4.6 16.7 8 2 A R E +A 325 0A 153 -2,-0.4 317,-0.3 317,-0.2 315,-0.1 -0.932 28.1 175.2-106.3 128.6 22.0 -4.0 14.5 9 3 A L E -A 324 0A 9 315,-2.9 315,-3.3 -2,-0.5 -2,-0.0 -0.933 37.4 -96.5-132.3 153.1 18.6 -4.4 16.2 10 4 A P >> - 0 0 73 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.517 33.4-130.2 -63.2 131.5 14.9 -3.9 15.3 11 5 A P H 3> S+ 0 0 17 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.869 106.4 58.2 -51.2 -43.2 13.7 -0.4 16.4 12 6 A A H 3> S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 103.6 52.9 -58.9 -37.1 10.7 -1.9 18.2 13 7 A R H <> S+ 0 0 141 -3,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.933 112.1 43.5 -64.0 -47.2 13.0 -4.0 20.4 14 8 A L H X S+ 0 0 1 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.890 113.1 52.8 -65.2 -41.3 15.0 -1.0 21.5 15 9 A R H X S+ 0 0 39 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.961 111.0 46.5 -58.1 -49.7 11.9 1.0 22.0 16 10 A N H X S+ 0 0 106 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.885 112.8 49.6 -60.9 -40.6 10.4 -1.7 24.2 17 11 A L H X S+ 0 0 9 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.927 112.3 48.3 -61.3 -45.6 13.6 -2.1 26.2 18 12 A S H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.894 110.8 49.6 -65.0 -44.1 13.8 1.7 26.7 19 13 A V H X S+ 0 0 21 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.920 109.1 51.9 -60.3 -45.5 10.2 2.0 27.8 20 14 A A H X S+ 0 0 33 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.887 109.9 49.7 -62.2 -39.0 10.6 -0.8 30.4 21 15 A L H X S+ 0 0 1 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.943 112.8 46.1 -64.6 -48.4 13.7 0.8 31.9 22 16 A L H ><>S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 5,-1.3 0.955 112.5 51.3 -55.9 -49.3 11.9 4.2 32.2 23 17 A E H ><5S+ 0 0 82 -4,-3.1 3,-2.4 1,-0.3 -1,-0.2 0.834 97.2 65.7 -62.5 -33.5 8.8 2.5 33.6 24 18 A K H 3<5S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.728 101.0 54.6 -57.2 -19.2 10.9 0.7 36.2 25 19 A R T <<5S- 0 0 42 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.309 126.8 -99.8-100.2 10.5 11.6 4.2 37.5 26 20 A G T < 5 + 0 0 47 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.545 69.4 153.1 86.5 6.4 7.9 5.1 37.9 27 21 A V < - 0 0 5 -5,-1.3 -1,-0.3 -8,-0.1 43,-0.2 -0.571 52.6-108.5 -70.2 126.5 7.7 7.1 34.6 28 22 A P > - 0 0 33 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.202 27.6-114.8 -55.3 147.1 4.1 7.0 33.3 29 23 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.838 114.7 49.2 -58.1 -38.9 3.7 4.8 30.2 30 24 A D H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 115.9 43.7 -66.8 -43.8 2.8 7.7 27.8 31 25 A S H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.867 111.6 53.7 -67.2 -37.9 5.8 9.7 29.1 32 26 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.923 109.2 49.2 -61.8 -43.4 8.1 6.7 28.9 33 27 A R H X S+ 0 0 122 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.888 111.9 49.1 -62.0 -41.0 7.1 6.1 25.3 34 28 A L H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.945 110.7 47.6 -69.0 -51.0 7.7 9.8 24.5 35 29 A Q H X S+ 0 0 2 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.876 115.3 48.2 -54.9 -38.4 11.2 9.9 26.1 36 30 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.902 107.6 54.3 -70.1 -40.8 12.0 6.7 24.3 37 31 A N H X S+ 0 0 29 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.884 103.1 58.1 -60.4 -39.9 10.7 8.0 20.9 38 32 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 87,-0.3 0.912 112.4 38.9 -52.9 -46.6 13.0 11.0 21.2 39 33 A L H X S+ 0 0 2 -4,-1.1 4,-2.4 -3,-0.2 13,-0.3 0.883 116.2 50.5 -76.7 -40.0 16.0 8.8 21.4 40 34 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.885 108.7 52.2 -65.0 -39.7 14.9 6.3 18.9 41 35 A E H X S+ 0 0 18 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.902 109.2 50.9 -63.7 -40.4 14.1 9.0 16.3 42 36 A A H <>S+ 0 0 0 -4,-1.4 5,-3.0 -5,-0.3 4,-0.3 0.964 113.0 45.4 -57.6 -54.0 17.6 10.3 16.9 43 37 A E H ><5S+ 0 0 20 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.944 113.4 49.6 -52.1 -53.3 19.0 6.8 16.2 44 38 A L H 3<5S+ 0 0 4 -4,-3.3 275,-0.4 1,-0.3 -1,-0.2 0.806 110.6 50.9 -59.6 -31.3 16.8 6.3 13.2 45 39 A R T 3<5S- 0 0 16 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.348 121.8-101.5 -92.5 5.9 17.8 9.6 11.7 46 40 A G T < 5S+ 0 0 49 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.777 89.2 117.6 80.2 27.7 21.5 9.1 12.0 47 41 A L > < + 0 0 58 -5,-3.0 3,-2.0 -6,-0.2 -4,-0.1 -0.545 23.6 158.5-120.8 65.4 22.0 11.2 15.1 48 42 A P G > > + 0 0 54 0, 0.0 3,-1.5 0, 0.0 5,-0.6 0.720 65.4 76.2 -63.0 -19.7 23.3 8.7 17.6 49 43 A S G 3 5S+ 0 0 7 1,-0.3 75,-0.1 -3,-0.1 -6,-0.0 0.773 107.8 31.3 -59.2 -27.0 24.8 11.5 19.7 50 44 A H G < 5S+ 0 0 23 -3,-2.0 75,-0.4 -11,-0.1 -1,-0.3 0.074 112.8 84.3-116.9 18.9 21.2 12.3 20.9 51 45 A G T X 5S- 0 0 0 -3,-1.5 3,-2.0 -9,-0.2 4,-0.2 0.196 104.2 -35.5 -99.9-140.7 20.0 8.7 20.7 52 46 A L G > 5S+ 0 0 0 -13,-0.3 3,-1.8 1,-0.3 -3,-0.1 0.659 119.3 76.1 -66.3 -18.7 20.2 5.8 23.1 53 47 A Q G 3 S+ 0 0 30 -3,-2.0 4,-1.3 -6,-0.2 3,-0.3 0.670 87.6 77.8 -77.7 -19.8 21.8 9.4 26.4 55 49 A L H <> S+ 0 0 0 -3,-1.8 4,-2.7 1,-0.2 5,-0.3 0.912 82.2 56.6 -66.9 -47.8 19.5 6.9 28.2 56 50 A P H > S+ 0 0 20 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.845 106.9 52.6 -56.0 -34.5 21.7 5.5 31.0 57 51 A L H > S+ 0 0 54 -4,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.946 110.4 46.6 -67.3 -46.9 22.3 9.0 32.4 58 52 A L H X S+ 0 0 12 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.924 112.1 51.1 -58.2 -45.8 18.6 9.8 32.5 59 53 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.924 112.4 47.3 -56.9 -44.2 17.9 6.4 34.2 60 54 A S H X S+ 0 0 28 -4,-2.4 4,-1.1 -5,-0.3 -2,-0.2 0.906 110.3 51.2 -64.8 -42.3 20.6 7.2 36.7 61 55 A R H <>S+ 0 0 2 -4,-2.8 5,-2.2 1,-0.2 6,-2.0 0.855 110.4 50.2 -65.4 -34.5 19.3 10.7 37.3 62 56 A L H ><5S+ 0 0 15 -4,-2.4 3,-1.5 4,-0.2 -2,-0.2 0.949 108.8 50.9 -65.9 -49.9 15.8 9.3 37.9 63 57 A D H 3<5S+ 0 0 100 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.717 112.4 49.0 -57.1 -24.1 17.2 6.7 40.4 64 58 A K T 3<5S- 0 0 130 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.403 113.9-111.6-105.2 2.7 18.9 9.5 42.3 65 59 A G T < 5S+ 0 0 51 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.635 90.4 111.4 77.2 14.3 16.1 11.9 42.6 66 60 A L S S-C 82 0B 49 3,-1.2 3,-1.1 367,-0.2 367,-0.2 -0.858 94.1 -84.9-138.9 176.0 1.9 37.9 30.0 80 74 A A T 3 S+ 0 0 47 365,-2.6 366,-0.2 -2,-0.3 367,-0.1 0.811 129.0 24.4 -53.8 -33.7 -0.8 37.1 27.3 81 75 A S T 3 S+ 0 0 0 365,-1.8 33,-2.6 364,-0.1 2,-0.5 0.280 107.2 87.0-116.9 10.8 1.8 35.5 25.0 82 76 A F E < -Cd 79 114B 0 -3,-1.1 -4,-2.4 31,-0.2 -3,-1.2 -0.922 51.1-170.3-126.6 109.9 4.5 34.4 27.5 83 77 A L E -Cd 77 115B 3 31,-3.4 33,-2.9 -2,-0.5 2,-0.6 -0.866 7.4-159.4-100.8 118.6 4.5 31.1 29.3 84 78 A S E -Cd 76 116B 11 -8,-3.1 -8,-2.6 -2,-0.6 2,-0.5 -0.867 14.2-163.7 -95.1 122.8 7.1 30.7 32.1 85 79 A V E -Cd 75 117B 5 31,-2.7 33,-2.1 -2,-0.6 2,-0.7 -0.927 18.5-160.6-117.3 123.0 7.7 27.0 32.9 86 80 A D E -Cd 74 118B 45 -12,-2.3 -12,-2.5 -2,-0.5 33,-0.2 -0.908 13.4-155.7 -90.3 114.9 9.3 25.5 35.9 87 81 A G E > - 0 0 0 31,-2.9 3,-1.8 -2,-0.7 -14,-0.3 0.678 15.7-144.0 -66.8 -18.9 10.3 22.0 34.7 88 82 A E E 3 - 0 0 59 1,-0.3 -17,-0.2 30,-0.1 32,-0.2 0.829 66.1 -63.2 55.5 33.4 10.3 20.6 38.2 89 83 A R E 3 S+ 0 0 102 30,-2.8 -21,-2.6 1,-0.2 -1,-0.3 0.662 97.5 157.0 70.3 16.8 13.3 18.4 37.3 90 84 A G E < -bd 68 120B 0 -3,-1.8 31,-2.5 29,-0.6 2,-0.2 -0.094 53.3 -80.0 -71.0 169.2 11.1 16.6 34.8 91 85 A L > - 0 0 2 -23,-0.6 4,-1.9 -20,-0.4 5,-0.2 -0.509 44.6-124.2 -66.8 137.5 12.1 14.7 31.7 92 86 A G H > S+ 0 0 0 30,-0.5 4,-3.0 1,-0.2 3,-0.3 0.928 104.9 44.4 -51.0 -60.4 12.9 17.2 28.9 93 87 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.826 112.4 53.7 -59.6 -34.0 10.6 15.9 26.1 94 88 A V H > S+ 0 0 8 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.888 113.7 41.9 -66.0 -40.3 7.7 15.5 28.6 95 89 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 -3,-0.3 -1,-0.2 0.915 115.5 50.2 -75.2 -42.3 8.0 19.1 29.7 96 90 A X H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 111.1 47.2 -59.1 -50.9 8.5 20.4 26.2 97 91 A X H X S+ 0 0 54 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.825 112.4 50.1 -66.3 -29.7 5.5 18.6 24.7 98 92 A D H X S+ 0 0 34 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.919 109.3 51.2 -72.7 -41.7 3.3 19.8 27.5 99 93 A A H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.865 109.3 52.2 -58.2 -39.3 4.5 23.3 27.1 100 94 A X H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.918 108.1 50.0 -65.2 -43.6 3.7 23.0 23.4 101 95 A R H X S+ 0 0 124 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.928 115.2 43.9 -59.9 -45.3 0.1 21.8 24.1 102 96 A V H X S+ 0 0 21 -4,-2.4 4,-0.7 1,-0.2 3,-0.3 0.914 115.8 45.4 -68.5 -44.8 -0.5 24.7 26.5 103 97 A T H >X S+ 0 0 1 -4,-2.8 4,-0.9 1,-0.2 3,-0.9 0.892 106.1 60.9 -69.3 -35.9 1.1 27.4 24.3 104 98 A R H >X S+ 0 0 113 -4,-2.6 4,-0.5 1,-0.2 3,-0.5 0.843 96.0 61.6 -57.9 -35.8 -0.7 26.2 21.2 105 99 A R H 3< S+ 0 0 155 -4,-1.1 3,-0.5 -3,-0.3 4,-0.3 0.846 104.2 49.0 -57.7 -35.9 -4.1 26.8 22.8 106 100 A I H XX S+ 0 0 43 -3,-0.9 4,-2.2 -4,-0.7 3,-1.4 0.725 89.7 82.1 -78.9 -24.7 -3.3 30.5 23.1 107 101 A L H - 0 0 7 -75,-0.4 3,-1.6 -87,-0.3 4,-0.4 -0.557 61.6-157.6 -78.9 114.3 17.0 16.2 19.4 126 120 A L T >> S+ 0 0 3 -2,-0.6 4,-2.1 1,-0.3 3,-0.7 0.717 84.5 75.7 -66.7 -21.1 15.2 19.5 18.8 127 121 A A H 3> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.834 85.6 66.6 -56.9 -31.4 14.1 18.5 15.3 128 122 A Y H <> S+ 0 0 45 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.912 107.1 37.6 -56.2 -46.4 11.5 16.3 17.0 129 123 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.4 5,-0.2 0.920 115.1 52.8 -74.5 -46.2 9.7 19.3 18.5 130 124 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 10,-0.2 0.899 112.3 47.5 -53.8 -41.8 10.2 21.6 15.4 131 125 A E H X S+ 0 0 18 -4,-3.0 4,-2.7 -5,-0.2 -1,-0.2 0.890 108.4 53.5 -68.6 -40.1 8.7 18.8 13.3 132 126 A A H X S+ 0 0 21 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.903 110.5 47.3 -62.3 -42.8 5.7 18.3 15.7 133 127 A A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.3 0.948 113.1 48.9 -61.8 -47.4 4.9 22.0 15.4 134 128 A A H ><5S+ 0 0 5 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.866 107.2 54.3 -63.6 -36.9 5.2 21.9 11.6 135 129 A R H 3<5S+ 0 0 171 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.842 104.5 55.4 -67.7 -30.5 3.0 18.8 11.3 136 130 A D T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.269 127.0-105.1 -80.4 10.1 0.3 20.7 13.3 137 131 A G T < 5S+ 0 0 38 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.699 82.8 123.3 74.8 19.5 0.6 23.4 10.7 138 132 A L < - 0 0 12 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.3 -0.764 66.5-117.7-109.6 157.1 2.5 25.7 13.0 139 133 A I E -F 274 0B 0 135,-2.7 135,-2.0 -2,-0.3 2,-0.5 -0.845 37.1-167.1 -86.4 125.7 5.9 27.4 12.7 140 134 A G E -FG 273 168B 0 28,-2.0 28,-3.2 -2,-0.5 2,-0.5 -0.974 13.8-174.6-123.6 127.1 8.1 26.2 15.6 141 135 A I E -FG 272 167B 24 131,-2.6 131,-3.1 -2,-0.5 2,-0.4 -0.984 12.8-175.3-121.6 125.3 11.3 27.6 16.8 142 136 A V E +FG 271 166B 0 24,-2.7 24,-2.7 -2,-0.5 2,-0.3 -0.963 9.0 174.0-130.6 138.4 13.2 25.8 19.4 143 137 A X E +FG 270 165B 16 127,-2.5 127,-2.2 -2,-0.4 2,-0.3 -0.981 1.6 176.6-139.4 151.0 16.4 26.4 21.4 144 138 A S E -F 269 0B 5 20,-1.2 125,-0.2 -2,-0.3 2,-0.2 -0.980 14.0-148.7-152.5 144.1 18.2 24.8 24.3 145 139 A T - 0 0 5 123,-2.3 2,-0.2 -2,-0.3 122,-0.1 -0.450 16.2-176.3-105.3-175.5 21.5 25.5 26.1 146 140 A S - 0 0 8 -2,-0.2 109,-0.2 120,-0.1 15,-0.1 -0.870 38.3 -42.9-158.8-176.6 24.0 23.2 27.8 147 141 A E S S- 0 0 19 -2,-0.2 2,-0.6 1,-0.1 15,-0.4 -0.348 77.0 -86.6 -55.7 146.9 27.2 22.8 29.8 148 142 A A S S+ 0 0 22 104,-1.2 13,-0.3 107,-0.3 10,-0.1 -0.488 74.8 139.6 -60.1 109.3 29.9 25.1 28.7 149 143 A L + 0 0 22 11,-2.4 75,-2.9 -2,-0.6 2,-0.4 0.471 46.9 72.0-130.0 -9.3 31.5 23.0 25.9 150 144 A V B -Ij 160 224C 5 10,-3.0 9,-2.3 73,-0.3 10,-2.1 -0.917 66.1-140.4-123.1 132.9 32.3 25.5 23.1 151 145 A H - 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0 0 12 -4,-2.3 2,-0.4 -5,-0.2 -1,-0.2 -0.024 35.5 -64.2 83.9 167.1 35.9 61.4 9.4 645 318 B I E -P 345 0G 4 -300,-3.4 -300,-2.5 -4,-0.1 2,-0.4 -0.758 38.4-141.2 -99.3 131.6 34.2 59.3 6.8 646 319 B E E +P 344 0G 102 -2,-0.4 -302,-0.2 -302,-0.2 -2,-0.0 -0.759 32.4 155.9 -85.7 133.3 35.9 58.1 3.6 647 320 B L E -P 343 0G 2 -304,-2.2 -304,-1.5 -2,-0.4 5,-0.0 -0.983 48.1 -86.1-152.7 153.3 33.8 58.1 0.4 648 321 B P E > -P 342 0G 48 0, 0.0 4,-1.9 0, 0.0 -306,-0.3 -0.298 31.8-132.3 -59.9 138.5 34.5 58.2 -3.3 649 322 B Q H > S+ 0 0 78 -308,-3.0 4,-2.9 1,-0.2 5,-0.2 0.842 105.2 59.3 -60.6 -36.9 34.7 61.8 -4.7 650 323 B P H > S+ 0 0 86 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.967 105.9 48.0 -56.3 -51.5 32.3 60.9 -7.6 651 324 B L H > S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.928 115.1 44.7 -52.2 -50.5 29.6 59.9 -5.1 652 325 B F H X S+ 0 0 11 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.879 113.0 50.3 -66.6 -38.4 30.0 63.1 -3.1 653 326 B D H X S+ 0 0 83 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.846 111.8 49.5 -66.2 -35.2 30.2 65.3 -6.2 654 327 B H H X S+ 0 0 94 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.950 113.6 44.5 -68.4 -48.7 27.0 63.7 -7.5 655 328 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 111.4 52.7 -63.2 -42.7 25.2 64.2 -4.2 656 329 B T H X S+ 0 0 44 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.854 107.5 52.2 -64.2 -37.4 26.4 67.8 -3.8 657 330 B A H < S+ 0 0 69 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.897 109.0 51.5 -63.8 -38.5 25.2 68.6 -7.3 658 331 B L H < S+ 0 0 55 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.902 107.7 51.0 -61.0 -41.9 21.8 67.2 -6.3 659 332 B E H < 0 0 77 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.886 360.0 360.0 -71.1 -36.6 21.6 69.4 -3.1 660 333 B A < 0 0 94 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.772 360.0 360.0 -77.2 360.0 22.4 72.3 -5.2