==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-FEB-12 4DQX . COMPND 2 MOLECULE: PROBABLE OXIDOREDUCTASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR R.AGARWAL,S.CHAMALA,B.EVANS,R.FOTI,A.GIZZI,B.HILLERICH,A.KAR . 1006 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 777 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 150 14.9 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 . 75 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 384 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.9 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 1 2 3 2 0 8 8 0 2 5 1 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 4 8 8 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 22 A S 0 0 92 0, 0.0 3,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 148.4 12.1 16.9 66.1 2 23 A X > + 0 0 113 1,-0.1 3,-1.8 28,-0.1 27,-0.1 -0.253 360.0 147.4-126.3 47.0 8.3 16.3 65.9 3 24 A D T 3 S+ 0 0 34 1,-0.3 229,-0.4 228,-0.0 27,-0.1 0.669 79.4 33.9 -57.8 -23.6 7.5 17.2 62.3 4 25 A L T > S+ 0 0 0 25,-2.2 3,-3.0 22,-0.2 -1,-0.3 0.047 81.8 169.4-121.2 32.9 4.7 14.6 61.9 5 26 A N T < S- 0 0 81 -3,-1.8 26,-0.2 1,-0.3 25,-0.2 -0.176 75.4 -12.5 -60.3 118.3 3.3 14.7 65.4 6 27 A Q T 3 S+ 0 0 101 24,-2.6 -1,-0.3 1,-0.3 2,-0.3 0.530 99.4 138.7 68.6 10.8 0.1 12.8 65.6 7 28 A R < - 0 0 71 -3,-3.0 25,-2.6 75,-0.0 2,-0.6 -0.642 54.9-127.5 -84.9 143.9 -0.1 12.7 61.8 8 29 A V E -a 32 0A 2 -2,-0.3 74,-3.0 23,-0.2 75,-1.9 -0.863 31.6-174.3 -97.5 122.0 -1.3 9.3 60.4 9 30 A C E -ab 33 83A 0 23,-2.8 25,-2.7 -2,-0.6 2,-0.5 -0.947 15.6-158.3-125.1 123.6 1.1 8.0 57.7 10 31 A I E -ab 34 84A 0 73,-2.7 75,-3.3 -2,-0.4 2,-0.5 -0.912 10.4-171.5-100.2 127.0 0.8 5.0 55.6 11 32 A V E > -ab 35 85A 0 23,-2.7 25,-2.7 -2,-0.5 3,-0.7 -0.967 6.4-159.1-118.3 112.4 4.0 3.6 54.2 12 33 A T E 3 S+a 36 0A 1 73,-2.5 25,-0.2 -2,-0.5 75,-0.2 -0.586 83.8 30.7 -89.5 153.4 3.8 0.8 51.6 13 34 A G T > S+ 0 0 12 23,-1.1 3,-1.0 -2,-0.2 7,-0.5 0.773 83.9 145.8 68.6 21.0 6.8 -1.3 51.1 14 35 A G T < + 0 0 0 22,-2.8 23,-0.2 -3,-0.7 9,-0.1 0.509 43.4 79.0 -74.8 -4.6 7.3 -0.5 54.8 15 36 A G T 3 S+ 0 0 0 21,-0.3 2,-0.3 31,-0.1 -1,-0.2 0.626 102.6 2.7 -75.6 -15.7 8.8 -3.9 55.8 16 37 A S S X> S+ 0 0 52 -3,-1.0 4,-1.8 30,-0.0 3,-0.7 -0.952 105.6 2.1-160.2 171.4 12.4 -3.3 54.5 17 38 A G H 3> S- 0 0 18 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 -0.043 121.9 -1.3 47.2-132.6 14.9 -0.9 52.9 18 39 A I H 3> S+ 0 0 23 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.903 134.7 51.7 -58.7 -45.2 13.5 2.6 52.2 19 40 A G H <> S+ 0 0 0 -3,-0.7 4,-3.3 -6,-0.4 -5,-0.2 0.926 110.9 49.4 -64.4 -43.2 10.0 2.0 53.4 20 41 A R H X S+ 0 0 102 -4,-1.8 4,-3.1 -7,-0.5 5,-0.2 0.948 112.7 45.8 -56.9 -49.7 11.3 0.7 56.7 21 42 A A H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.894 114.6 48.9 -69.3 -31.8 13.6 3.6 57.3 22 43 A T H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.949 110.4 49.7 -67.1 -48.6 10.8 6.0 56.3 23 44 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.953 115.2 45.4 -57.8 -47.2 8.3 4.3 58.7 24 45 A E H X S+ 0 0 43 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.916 113.7 47.4 -62.9 -43.0 10.8 4.5 61.6 25 46 A L H X S+ 0 0 22 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.886 111.5 51.6 -67.6 -34.0 11.9 8.1 60.9 26 47 A F H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 3,-0.3 0.930 110.7 48.3 -68.6 -41.3 8.2 9.2 60.6 27 48 A A H ><5S+ 0 0 20 -4,-2.1 3,-2.1 1,-0.3 -2,-0.2 0.903 107.6 54.7 -67.4 -37.1 7.4 7.5 64.0 28 49 A K H 3<5S+ 0 0 160 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.820 104.3 56.9 -62.1 -30.3 10.5 9.2 65.5 29 50 A N T 3<5S- 0 0 4 -4,-1.3 -25,-2.2 -3,-0.3 -1,-0.3 0.188 131.6 -93.7 -89.0 17.1 8.9 12.4 64.3 30 51 A G T < 5S+ 0 0 1 -3,-2.1 -24,-2.6 1,-0.2 -3,-0.2 0.437 76.7 144.8 98.9 0.9 5.7 11.7 66.2 31 52 A A < - 0 0 0 -5,-2.2 2,-0.5 -26,-0.2 -1,-0.2 -0.280 52.8-129.5 -74.5 158.1 3.6 10.0 63.5 32 53 A Y E -a 8 0A 46 -25,-2.6 -23,-2.8 -28,-0.2 2,-0.4 -0.912 40.3-156.6 -89.5 130.6 1.1 7.1 63.8 33 54 A V E -ac 9 54A 0 20,-2.7 22,-1.8 -2,-0.5 2,-0.7 -0.946 23.3-156.7-122.8 131.3 2.4 4.8 61.1 34 55 A V E -ac 10 55A 0 -25,-2.7 -23,-2.7 -2,-0.4 2,-0.9 -0.917 17.2-154.7 -95.7 118.2 0.8 2.0 59.1 35 56 A V E -ac 11 56A 0 20,-3.5 22,-2.5 -2,-0.7 2,-0.5 -0.828 17.8-176.2 -95.6 103.3 3.5 -0.3 58.0 36 57 A A E +ac 12 57A 1 -25,-2.7 -22,-2.8 -2,-0.9 -23,-1.1 -0.888 10.4 156.8-106.7 131.3 2.2 -2.0 54.8 37 58 A D E - c 0 58A 15 20,-1.9 22,-2.2 -2,-0.5 6,-0.1 -0.998 52.5-124.3-153.4 148.0 4.1 -4.7 53.0 38 59 A V S S+ 0 0 92 -2,-0.3 2,-0.8 20,-0.2 22,-0.1 0.809 107.2 64.5 -61.2 -25.5 3.6 -7.6 50.6 39 60 A N S > S- 0 0 80 1,-0.2 4,-2.2 20,-0.1 3,-0.3 -0.868 73.2-162.8-103.6 105.4 5.3 -9.7 53.3 40 61 A E H > S+ 0 0 104 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.871 86.9 53.8 -57.2 -40.4 3.2 -9.7 56.4 41 62 A D H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 109.5 48.9 -65.2 -39.5 6.0 -10.8 58.8 42 63 A A H > S+ 0 0 6 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.931 111.3 49.0 -62.3 -48.8 8.3 -8.0 57.7 43 64 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.935 114.7 45.6 -56.2 -47.3 5.5 -5.4 58.2 44 65 A V H X S+ 0 0 55 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.897 109.7 54.6 -64.1 -42.0 4.7 -6.8 61.7 45 66 A R H X S+ 0 0 143 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.907 112.0 43.2 -56.8 -46.8 8.4 -6.9 62.7 46 67 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.938 115.3 47.9 -73.3 -43.6 8.9 -3.3 61.8 47 68 A A H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.2 7,-0.3 0.860 111.2 52.5 -60.0 -40.5 5.6 -2.1 63.5 48 69 A N H < S+ 0 0 122 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.895 109.1 49.1 -60.5 -41.0 6.5 -4.2 66.6 49 70 A E H < S+ 0 0 143 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.933 111.7 49.1 -67.3 -44.7 10.0 -2.5 66.8 50 71 A I H < S- 0 0 40 -4,-2.5 2,-0.2 1,-0.2 3,-0.2 0.904 106.1-149.3 -58.0 -48.2 8.4 0.9 66.5 51 72 A G >< - 0 0 31 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 -0.674 46.1 -13.4 114.9-156.2 5.8 0.1 69.2 52 73 A S T 3 S+ 0 0 114 1,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.578 121.7 66.2 -69.3 -9.3 2.3 1.1 69.9 53 74 A K T 3 S+ 0 0 59 -3,-0.2 -20,-2.7 -6,-0.1 2,-0.3 0.338 101.7 54.0 -94.3 9.4 2.2 4.0 67.5 54 75 A A E < -c 33 0A 11 -3,-1.9 2,-0.3 -7,-0.3 -20,-0.2 -0.974 58.8-168.0-128.8 152.3 2.5 1.6 64.4 55 76 A F E -c 34 0A 39 -22,-1.8 -20,-3.5 -2,-0.3 2,-0.4 -0.980 17.2-137.7-133.1 154.4 0.7 -1.4 63.1 56 77 A G E +c 35 0A 21 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.847 22.5 178.9-107.0 144.2 1.8 -3.8 60.3 57 78 A V E -c 36 0A 8 -22,-2.5 -20,-1.9 -2,-0.4 2,-0.5 -0.988 29.9-118.2-148.7 139.1 -0.5 -5.1 57.7 58 79 A R E +c 37 0A 103 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.654 41.3 167.2 -76.0 121.1 -0.0 -7.3 54.7 59 80 A V - 0 0 5 -22,-2.2 2,-0.8 -2,-0.5 -46,-0.2 -0.976 33.0-160.6-143.9 128.3 -0.8 -5.6 51.4 60 81 A D > - 0 0 31 -2,-0.4 3,-2.4 1,-0.1 7,-0.3 -0.947 19.9-154.5 -97.5 106.4 -0.2 -6.5 47.8 61 82 A V T 3 S+ 0 0 6 -2,-0.8 56,-0.2 1,-0.3 57,-0.2 0.649 90.9 65.9 -65.7 -14.2 -0.6 -2.9 46.4 62 83 A S T 3 S+ 0 0 18 55,-0.1 2,-0.6 56,-0.0 -1,-0.3 0.559 88.3 83.2 -76.2 -8.0 -1.5 -4.5 43.0 63 84 A S <> - 0 0 36 -3,-2.4 4,-2.2 1,-0.2 5,-0.2 -0.861 65.2-159.8-106.4 114.4 -4.7 -5.8 44.7 64 85 A A H > S+ 0 0 17 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.850 95.0 55.5 -58.0 -36.0 -7.6 -3.4 44.9 65 86 A K H > S+ 0 0 166 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 109.6 45.8 -65.7 -44.0 -9.1 -5.5 47.8 66 87 A D H > S+ 0 0 20 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.913 113.5 49.2 -61.5 -41.2 -5.9 -5.2 49.8 67 88 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -7,-0.3 -2,-0.2 0.915 113.5 44.0 -69.4 -45.3 -5.5 -1.5 49.2 68 89 A E H X S+ 0 0 83 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.924 115.0 51.6 -67.7 -38.8 -9.1 -0.6 50.2 69 90 A S H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.859 105.1 55.3 -60.3 -38.1 -8.8 -3.0 53.2 70 91 A X H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.925 109.5 47.4 -63.3 -43.2 -5.6 -1.2 54.3 71 92 A V H X S+ 0 0 8 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.909 109.5 52.8 -63.9 -45.1 -7.4 2.1 54.3 72 93 A E H X S+ 0 0 112 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.909 111.1 47.2 -58.8 -40.2 -10.4 0.7 56.3 73 94 A K H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.869 111.3 51.2 -70.1 -36.5 -8.1 -0.6 59.0 74 95 A T H X>S+ 0 0 0 -4,-1.7 4,-3.0 -5,-0.2 5,-0.6 0.918 114.4 41.6 -62.9 -47.8 -6.2 2.6 59.1 75 96 A T H X5S+ 0 0 44 -4,-2.8 4,-1.7 3,-0.2 -2,-0.2 0.893 111.4 56.7 -71.6 -36.4 -9.4 4.7 59.5 76 97 A A H <5S+ 0 0 87 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.938 116.9 37.2 -56.3 -42.5 -10.9 2.2 62.0 77 98 A K H <5S+ 0 0 115 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.977 139.3 7.6 -75.2 -53.5 -7.8 2.6 64.1 78 99 A W H <5S- 0 0 48 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.387 86.7-127.4-119.4 -0.4 -7.0 6.4 63.8 79 100 A G S < - 0 0 18 -2,-0.2 4,-2.7 54,-0.2 56,-0.1 -0.697 49.8 -79.0-129.0-178.1 15.2 -6.0 27.7 96 117 A V T 4 S+ 0 0 0 -2,-0.2 279,-0.1 1,-0.2 8,-0.1 0.774 130.4 49.3 -56.5 -31.0 12.0 -6.0 25.5 97 118 A V T 4 S+ 0 0 34 1,-0.1 -1,-0.2 277,-0.1 278,-0.0 0.935 121.1 32.7 -72.7 -42.0 13.2 -9.1 23.7 98 119 A T T 4 S+ 0 0 85 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.712 90.8 97.6 -97.3 -17.1 14.0 -11.1 26.9 99 120 A I S < S- 0 0 2 -4,-2.7 -5,-0.1 1,-0.1 2,-0.1 -0.538 76.5-122.4 -72.2 119.8 11.5 -9.9 29.5 100 121 A P >> - 0 0 70 0, 0.0 4,-2.5 0, 0.0 3,-0.8 -0.390 17.6-123.5 -58.1 139.4 8.6 -12.4 29.8 101 122 A E H 3> S+ 0 0 56 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.898 112.7 56.0 -54.2 -37.5 5.2 -10.6 29.2 102 123 A E H 3> S+ 0 0 136 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.870 107.9 47.7 -61.7 -35.7 4.0 -11.8 32.6 103 124 A T H <> S+ 0 0 40 -3,-0.8 4,-2.8 2,-0.2 5,-0.2 0.906 109.4 53.4 -73.1 -44.1 7.0 -10.2 34.3 104 125 A W H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.944 111.6 46.1 -50.0 -50.9 6.4 -6.9 32.4 105 126 A D H X S+ 0 0 52 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.883 110.5 52.2 -66.2 -40.1 2.8 -6.9 33.6 106 127 A R H X S+ 0 0 102 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.936 109.0 50.6 -61.6 -43.7 3.7 -7.7 37.2 107 128 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.5 0.932 113.4 44.4 -59.7 -46.6 6.2 -4.8 37.3 108 129 A X H X>S+ 0 0 13 -4,-2.0 5,-2.5 -5,-0.2 4,-1.3 0.867 113.4 52.3 -65.4 -37.6 3.6 -2.4 35.9 109 130 A S H <5S+ 0 0 28 -4,-2.6 5,-0.5 -5,-0.2 -1,-0.2 0.894 118.7 32.7 -69.1 -39.5 0.9 -3.7 38.3 110 131 A V H <5S+ 0 0 15 -4,-2.4 4,-0.2 3,-0.2 -2,-0.2 0.942 125.1 39.9 -81.3 -51.2 3.0 -3.3 41.5 111 132 A N H <5S+ 0 0 3 -4,-2.3 4,-0.2 -5,-0.3 -3,-0.2 0.871 133.9 13.5 -72.2 -35.4 5.1 -0.2 40.7 112 133 A V T >X5S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.5 3,-0.6 0.846 127.3 47.1-111.3 -51.6 2.6 1.9 38.9 113 134 A K H 3> S+ 0 0 2 -5,-0.5 4,-2.5 -6,-0.3 5,-0.3 0.903 100.2 44.9 -50.3 -47.7 0.0 0.3 43.1 115 136 A I H <> S+ 0 0 7 -3,-0.6 4,-2.7 -4,-0.2 5,-0.3 0.944 113.2 52.0 -59.1 -46.7 0.1 4.1 43.5 116 137 A F H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.926 114.5 42.2 -61.9 -48.2 -3.2 4.4 41.6 117 138 A L H X S+ 0 0 0 -4,-3.4 4,-1.4 2,-0.2 5,-0.2 0.921 116.4 44.4 -66.2 -49.5 -5.0 1.8 43.9 118 139 A C H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 3,-0.4 0.934 117.9 46.3 -63.3 -40.5 -3.6 3.0 47.2 119 140 A S H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.847 104.3 63.2 -67.8 -37.4 -4.3 6.6 46.2 120 141 A K H < S+ 0 0 21 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 115.7 30.3 -52.0 -42.5 -7.8 5.6 44.9 121 142 A Y H X S+ 0 0 56 -4,-1.4 4,-0.7 -3,-0.4 -2,-0.2 0.788 120.9 51.7 -93.6 -28.9 -8.8 4.6 48.5 122 143 A V H >X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 3,-0.5 0.889 100.0 60.9 -69.8 -38.3 -6.7 7.1 50.4 123 144 A I H 3X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 -1,-0.2 0.882 98.0 56.1 -70.0 -36.9 -7.7 10.2 48.7 124 145 A P H 34 S+ 0 0 35 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.875 110.7 48.2 -59.6 -31.8 -11.4 10.0 49.6 125 146 A V H XX S+ 0 0 8 -4,-0.7 3,-1.8 -3,-0.5 4,-0.5 0.947 110.0 49.6 -71.7 -47.1 -10.3 9.9 53.3 126 147 A X H ><>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.3 3,-1.5 0.899 103.3 62.1 -58.4 -35.8 -7.9 12.9 52.9 127 148 A R T 3<5S+ 0 0 96 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.696 105.5 46.4 -58.4 -23.3 -10.7 14.8 51.3 128 149 A R T <45S+ 0 0 187 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.407 112.9 50.1 -99.3 -3.1 -12.7 14.5 54.6 129 150 A N T <<5S- 0 0 28 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.046 125.3 -86.9-124.4 34.0 -9.6 15.5 56.9 130 151 A G T 5S- 0 0 74 -3,-0.2 -3,-0.2 -4,-0.1 2,-0.2 0.627 75.4 -78.9 75.4 17.3 -8.4 18.7 55.2 131 152 A G < - 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