==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-SEP-12 4H15 . COMPND 2 MOLECULE: SHORT CHAIN ALCOHOL DEHYDROGENASE-RELATED DEHYDRO . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR A.GHOSH,S.C.ALMO,NEW YORK STRUCTURAL GENOMICS RESEARCH CONSO . 1044 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 752 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 12.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 69 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 390 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 3.3 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 0 0 0 0 0 0 0 8 8 1 5 2 0 4 0 0 0 1 0 0 0 3 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 12 0 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 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 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 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 S 0 0 184 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.2 -8.3 36.4 11.8 2 0 A X - 0 0 171 0, 0.0 2,-0.1 0, 0.0 3,-0.0 -0.993 360.0-101.2-154.3 156.0 -9.5 32.8 11.0 3 1 A X - 0 0 93 -2,-0.3 2,-0.4 1,-0.1 787,-0.0 -0.395 48.9 -94.0 -77.7 159.1 -9.5 30.3 8.2 4 2 A I - 0 0 21 -2,-0.1 2,-0.5 816,-0.1 788,-0.3 -0.593 30.9-174.0 -81.0 126.4 -12.6 29.8 6.0 5 3 A E + 0 0 75 -2,-0.4 3,-0.1 1,-0.1 -1,-0.1 -0.743 31.0 141.3-116.5 78.7 -15.0 27.0 7.0 6 4 A F + 0 0 12 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.922 64.0 15.0 -84.7 -50.5 -17.4 27.1 4.0 7 5 A L + 0 0 6 -3,-0.2 -1,-0.3 786,-0.1 2,-0.3 -0.988 62.2 143.9-138.9 131.5 -18.2 23.5 3.3 8 6 A N - 0 0 46 -2,-0.4 233,-0.4 -3,-0.1 27,-0.2 -0.924 40.1-136.6-148.5 177.2 -17.8 20.2 5.0 9 7 A L > + 0 0 1 25,-3.0 3,-1.9 -2,-0.3 28,-0.2 -0.058 43.6 157.6-125.9 29.4 -19.7 16.9 5.4 10 8 A R T 3 + 0 0 151 24,-0.3 26,-0.2 1,-0.3 3,-0.1 -0.307 68.2 15.7 -58.9 134.4 -19.2 16.5 9.2 11 9 A G T 3 S+ 0 0 72 24,-0.8 2,-0.3 1,-0.3 -1,-0.3 0.290 96.5 124.1 87.1 -12.3 -21.8 14.2 10.7 12 10 A K < - 0 0 35 -3,-1.9 25,-2.9 23,-0.1 2,-0.5 -0.626 51.7-148.4 -85.9 143.0 -23.0 12.8 7.4 13 11 A R E -a 37 0A 56 -2,-0.3 67,-3.0 23,-0.2 68,-2.1 -0.961 23.3-169.5-108.0 120.2 -22.9 9.0 6.7 14 12 A A E -ab 38 81A 0 23,-3.4 25,-2.4 -2,-0.5 2,-0.6 -0.948 21.9-162.3-123.9 129.9 -22.3 8.4 3.0 15 13 A L E -ab 39 82A 0 66,-2.5 68,-3.1 -2,-0.4 2,-0.5 -0.951 16.4-176.8-101.5 119.8 -22.5 5.2 0.9 16 14 A I E -ab 40 83A 0 23,-2.6 25,-0.8 -2,-0.6 3,-0.4 -0.968 16.6-142.7-119.6 114.0 -20.5 5.8 -2.3 17 15 A T S S+ 0 0 3 66,-2.4 25,-0.1 -2,-0.5 68,-0.1 -0.450 73.3 14.4 -79.3 150.4 -20.7 2.9 -4.8 18 16 A A + 0 0 27 1,-0.1 3,-0.4 -2,-0.1 -1,-0.2 0.928 69.1 160.8 61.3 55.9 -17.8 1.8 -6.9 19 17 A G + 0 0 4 22,-1.4 -1,-0.1 -3,-0.4 23,-0.1 0.186 37.5 102.4 -96.0 18.8 -15.0 3.7 -5.1 20 18 A T S S- 0 0 61 21,-0.4 2,-0.2 1,-0.1 -1,-0.2 0.879 90.2 -17.1 -69.6 -42.2 -12.0 1.7 -6.3 21 19 A K S >> S+ 0 0 126 -3,-0.4 4,-1.7 4,-0.0 3,-0.8 -0.831 103.2 26.8-151.3-177.5 -10.6 4.1 -8.9 22 20 A G H 3> S- 0 0 23 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 -0.132 121.4 -16.1 56.5-143.9 -11.4 7.1 -11.1 23 21 A A H 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.816 136.5 60.8 -63.7 -31.5 -14.0 9.5 -9.9 24 22 A G H <> S+ 0 0 6 -3,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.957 107.0 43.9 -60.4 -50.2 -15.3 7.0 -7.4 25 23 A A H X S+ 0 0 32 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.899 113.4 51.6 -61.2 -41.0 -12.0 6.9 -5.6 26 24 A A H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.868 110.4 49.1 -65.5 -34.4 -11.6 10.6 -5.8 27 25 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.898 110.1 50.0 -74.0 -39.6 -15.1 11.1 -4.3 28 26 A V H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.940 113.4 47.6 -57.4 -47.5 -14.4 8.6 -1.4 29 27 A S H X S+ 0 0 64 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.935 113.7 46.0 -61.7 -49.3 -11.2 10.5 -0.7 30 28 A L H X S+ 0 0 12 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.911 110.7 52.6 -63.5 -42.2 -12.8 13.9 -0.7 31 29 A F H <>S+ 0 0 2 -4,-2.6 5,-2.4 1,-0.2 -1,-0.2 0.915 110.8 47.6 -61.6 -41.8 -15.8 12.8 1.4 32 30 A L H ><5S+ 0 0 80 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.932 111.0 52.0 -61.1 -44.5 -13.4 11.4 4.0 33 31 A E H 3<5S+ 0 0 149 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.802 106.0 54.5 -61.4 -31.6 -11.4 14.7 3.9 34 32 A L T 3<5S- 0 0 17 -4,-1.9 -25,-3.0 -5,-0.2 -24,-0.3 0.387 125.9-100.2 -87.0 4.1 -14.6 16.7 4.4 35 33 A G T < 5S+ 0 0 38 -3,-1.7 -24,-0.8 1,-0.3 -3,-0.2 0.532 72.1 144.2 94.9 6.9 -15.4 14.7 7.6 36 34 A A < - 0 0 9 -5,-2.4 2,-0.5 -26,-0.2 -1,-0.3 -0.397 53.8-121.0 -74.5 153.9 -18.0 12.3 6.4 37 35 A Q E -a 13 0A 100 -25,-2.9 -23,-3.4 -28,-0.2 2,-0.4 -0.871 44.2-161.9 -86.8 125.9 -18.3 8.7 7.6 38 36 A V E +a 14 0A 15 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.937 28.2 178.3-126.6 137.2 -17.9 6.7 4.4 39 37 A L E -a 15 0A 1 -25,-2.4 -23,-2.6 -2,-0.4 2,-0.2 -0.994 17.0-179.5-123.5 136.8 -18.6 3.2 3.1 40 38 A T E -ac 16 54A 0 13,-2.7 15,-2.2 -2,-0.4 2,-0.3 -0.778 14.3-133.0-128.9 175.0 -17.8 2.2 -0.5 41 39 A T E + c 0 55A 3 -25,-0.8 -22,-1.4 -2,-0.2 -21,-0.4 -0.897 22.7 162.2-131.0 157.1 -18.2 -0.9 -2.6 42 40 A A E - c 0 56A 10 13,-1.6 15,-2.4 -2,-0.3 3,-0.2 -0.952 47.5-116.0-163.1 159.7 -16.1 -3.0 -5.1 43 41 A R S S+ 0 0 191 1,-0.3 2,-0.3 -2,-0.3 15,-0.1 0.774 111.1 9.6 -71.5 -25.6 -16.2 -6.5 -6.6 44 42 A A S S- 0 0 64 11,-0.1 -1,-0.3 13,-0.1 11,-0.1 -0.942 88.7-114.4-150.9 133.5 -13.0 -7.1 -4.7 45 43 A R - 0 0 46 -2,-0.3 2,-0.2 -3,-0.2 6,-0.1 -0.431 34.4-113.2 -67.4 135.9 -11.4 -4.8 -2.1 46 44 A P > - 0 0 31 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.535 37.9-110.5 -65.4 134.0 -8.0 -3.3 -3.1 47 45 A E T 3 S+ 0 0 161 1,-0.2 -3,-0.0 -2,-0.2 0, 0.0 -0.333 101.4 30.6 -63.8 147.9 -5.3 -4.8 -0.9 48 46 A G T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.066 94.8 108.0 90.5 -25.8 -3.7 -2.4 1.6 49 47 A L S < S- 0 0 67 -3,-1.2 -1,-0.3 1,-0.1 5,-0.1 -0.662 85.2 -91.7 -84.4 141.9 -6.9 -0.4 1.9 50 48 A P >> - 0 0 64 0, 0.0 4,-0.8 0, 0.0 3,-0.8 -0.218 25.3-134.0 -58.2 138.5 -8.8 -0.9 5.2 51 49 A E T 34 S+ 0 0 108 1,-0.2 3,-0.4 2,-0.2 -2,-0.0 0.810 102.7 60.5 -59.4 -33.1 -11.4 -3.7 5.3 52 50 A E T 34 S+ 0 0 134 1,-0.2 -1,-0.2 3,-0.1 23,-0.0 0.808 98.2 57.7 -68.9 -30.6 -13.9 -1.4 7.0 53 51 A L T <4 S+ 0 0 25 -3,-0.8 -13,-2.7 -14,-0.1 2,-0.4 0.809 105.8 50.3 -72.8 -33.3 -14.0 1.1 4.2 54 52 A F E < -c 40 0A 2 -4,-0.8 2,-0.5 -3,-0.4 -13,-0.2 -0.866 60.2-159.4-112.8 140.0 -15.0 -1.3 1.4 55 53 A V E -c 41 0A 6 -15,-2.2 -13,-1.6 -2,-0.4 2,-0.6 -0.982 23.4-134.9-109.8 129.6 -17.8 -3.9 1.2 56 54 A E E +c 42 0A 98 -2,-0.5 2,-0.3 -15,-0.2 -13,-0.2 -0.756 49.2 127.1 -86.1 120.5 -17.1 -6.6 -1.4 57 55 A A - 0 0 13 -15,-2.4 2,-0.9 -2,-0.6 -13,-0.1 -0.976 60.7-117.6-168.0 153.3 -20.2 -7.2 -3.5 58 56 A D > - 0 0 47 -2,-0.3 3,-1.6 1,-0.1 6,-0.5 -0.865 24.3-166.5-100.1 100.1 -21.6 -7.4 -7.1 59 57 A L T 3 S+ 0 0 8 -2,-0.9 59,-0.1 1,-0.3 -1,-0.1 0.575 79.8 75.0 -67.0 -8.3 -24.2 -4.6 -7.2 60 58 A T T 3 S+ 0 0 28 4,-0.1 2,-0.3 57,-0.1 -1,-0.3 0.313 93.2 66.4 -82.9 9.6 -25.6 -6.0 -10.4 61 59 A T S <> S- 0 0 51 -3,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.924 84.0-124.0-128.5 156.1 -27.2 -8.8 -8.4 62 60 A K H > S+ 0 0 146 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.902 115.1 51.3 -60.2 -41.3 -30.0 -9.0 -5.8 63 61 A E H > S+ 0 0 146 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 108.4 50.4 -62.9 -45.2 -27.5 -10.7 -3.4 64 62 A G H > S+ 0 0 2 -6,-0.5 4,-2.4 1,-0.2 -5,-0.2 0.905 110.3 49.9 -61.2 -42.3 -24.9 -8.0 -3.9 65 63 A C H X S+ 0 0 3 -4,-2.1 4,-3.0 -7,-0.3 5,-0.2 0.926 110.4 50.2 -59.9 -47.2 -27.4 -5.3 -3.1 66 64 A A H X S+ 0 0 56 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 110.4 50.6 -58.3 -43.0 -28.6 -7.1 0.0 67 65 A I H X S+ 0 0 71 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.922 113.3 44.4 -63.2 -44.2 -25.0 -7.4 1.1 68 66 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 113.2 51.0 -68.5 -41.7 -24.3 -3.7 0.6 69 67 A A H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.897 112.4 46.7 -62.0 -40.5 -27.5 -2.6 2.2 70 68 A E H X S+ 0 0 90 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.888 110.7 51.4 -71.5 -36.7 -26.8 -4.7 5.3 71 69 A A H X>S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 5,-0.5 0.866 108.2 54.1 -66.2 -34.6 -23.2 -3.5 5.5 72 70 A T H X>S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-1.2 0.951 111.5 43.5 -61.5 -48.9 -24.6 0.1 5.4 73 71 A R H <5S+ 0 0 89 -4,-2.0 -2,-0.2 4,-0.2 -1,-0.2 0.858 119.4 43.9 -65.1 -35.7 -26.9 -0.6 8.3 74 72 A Q H <5S+ 0 0 138 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.879 124.5 29.4 -78.6 -41.0 -24.2 -2.5 10.3 75 73 A R H <5S+ 0 0 105 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.838 136.0 24.3 -92.1 -37.1 -21.2 -0.1 9.8 76 74 A L T < - 0 0 4 53,-2.8 3,-1.6 1,-0.2 4,-0.3 -0.132 64.8 -32.3 74.4-169.0 -23.3 0.5 -34.0 96 94 A F G > S+ 0 0 8 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.812 132.0 56.7 -61.0 -34.6 -26.8 -0.5 -32.9 97 95 A S G 3 S+ 0 0 57 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.651 101.2 59.3 -77.4 -12.1 -27.0 -3.7 -34.8 98 96 A A G < S+ 0 0 46 -3,-1.6 2,-1.0 -4,-0.3 -1,-0.3 0.388 78.0 106.3 -92.2 0.8 -23.9 -5.0 -33.1 99 97 A L < - 0 0 3 -3,-1.5 2,-0.0 -4,-0.3 545,-0.0 -0.732 58.3-163.3 -81.9 104.2 -25.5 -4.7 -29.7 100 98 A S > - 0 0 52 -2,-1.0 4,-2.4 1,-0.1 5,-0.2 -0.269 37.3 -98.7 -76.1 172.8 -26.2 -8.2 -28.6 101 99 A D H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.875 127.5 57.4 -58.7 -37.0 -28.6 -9.1 -25.8 102 100 A D H > S+ 0 0 119 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.933 106.6 48.2 -59.3 -46.1 -25.5 -9.5 -23.6 103 101 A D H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 112.8 46.8 -60.2 -48.7 -24.6 -5.9 -24.4 104 102 A W H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.922 114.4 47.5 -62.2 -42.0 -28.0 -4.5 -23.6 105 103 A Y H X S+ 0 0 145 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.930 113.1 48.8 -63.3 -45.9 -28.2 -6.5 -20.4 106 104 A N H X S+ 0 0 67 -4,-2.9 4,-2.3 -5,-0.2 5,-0.3 0.931 112.7 47.1 -59.3 -46.7 -24.8 -5.4 -19.4 107 105 A E H X S+ 0 0 4 -4,-2.8 4,-2.1 -5,-0.2 5,-0.3 0.919 117.3 41.5 -64.7 -43.7 -25.5 -1.7 -20.1 108 106 A L H X>S+ 0 0 13 -4,-2.4 5,-2.8 -5,-0.2 4,-1.8 0.907 115.4 50.0 -72.1 -41.2 -28.8 -1.7 -18.3 109 107 A S H <>S+ 0 0 12 -4,-2.8 5,-1.4 -5,-0.3 -2,-0.2 0.919 119.3 36.1 -64.4 -43.5 -27.7 -3.8 -15.3 110 108 A L H <5S+ 0 0 49 -4,-2.3 -2,-0.2 -5,-0.3 5,-0.2 0.904 126.4 34.1 -76.5 -41.8 -24.5 -1.7 -14.6 111 109 A N H <5S+ 0 0 4 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.691 134.7 10.5 -95.1 -20.2 -25.8 1.8 -15.4 112 110 A L T X5S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.3 3,-0.3 0.692 120.1 49.6-119.3 -55.6 -29.4 1.7 -14.3 113 111 A F H > S+ 0 0 9 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.915 113.3 51.8 -67.1 -43.7 -28.8 2.1 -8.6 116 114 A V H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.939 111.0 47.1 -57.3 -49.3 -32.5 1.2 -8.8 117 115 A R H X S+ 0 0 18 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.929 114.3 46.6 -61.6 -44.2 -32.2 -1.9 -6.7 118 116 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.910 111.7 50.5 -65.7 -42.5 -30.1 -0.1 -4.0 119 117 A D H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.903 105.5 57.5 -60.3 -41.0 -32.4 2.9 -3.9 120 118 A R H < S+ 0 0 35 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.860 114.0 38.8 -60.0 -35.2 -35.4 0.6 -3.4 121 119 A Q H < S+ 0 0 87 -4,-1.3 4,-0.3 -3,-0.2 -1,-0.2 0.838 128.2 28.0 -80.9 -35.7 -33.7 -0.9 -0.3 122 120 A L H X S+ 0 0 5 -4,-2.4 4,-1.1 -5,-0.1 3,-0.5 0.784 104.9 66.3-105.2 -31.5 -32.2 2.2 1.2 123 121 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 3,-0.3 0.873 90.8 63.3 -66.4 -35.7 -34.3 5.3 0.3 124 122 A P H > S+ 0 0 44 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.887 104.1 49.6 -58.8 -33.8 -37.5 4.4 2.1 125 123 A D H > S+ 0 0 100 -3,-0.5 4,-1.8 -4,-0.3 -2,-0.2 0.847 109.4 51.7 -71.1 -31.6 -35.6 4.6 5.4 126 124 A X H X>S+ 0 0 1 -4,-1.1 4,-2.3 -3,-0.3 5,-1.4 0.916 110.8 48.7 -64.7 -44.6 -34.2 8.0 4.4 127 125 A V H <5S+ 0 0 29 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.903 107.8 54.2 -61.4 -43.0 -37.7 9.1 3.6 128 126 A A H <5S+ 0 0 84 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.880 111.4 45.3 -60.2 -39.2 -39.0 7.8 7.0 129 127 A R H <5S- 0 0 95 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.859 108.7-133.0 -69.6 -37.5 -36.3 9.9 8.7 130 128 A G T <5 + 0 0 32 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.709 69.6 75.8 91.6 23.9 -37.2 12.8 6.5 131 129 A S < + 0 0 49 -5,-1.4 -1,-0.3 45,-0.0 45,-0.2 -0.987 49.4 86.7-156.7 158.8 -33.7 13.9 5.5 132 130 A G E - 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