==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-DEC-12 3ZE6 . COMPND 2 MOLECULE: PERIPLASMIC [NIFESE] HYDROGENASE, SMALL SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOVIBRIO VULGARIS; . AUTHOR M.C.MARQUES,R.COELHO,I.A.C.PEREIRA,P.M.MATIAS . 758 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 534 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 . 1 0.1 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 . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 6 1 5 2 2 1 1 1 0 0 1 0 1 0 0 0 1 0 0 0 0 2 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 0 1 1 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 . 11 3 2 2 0 1 1 1 1 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 . 3 2 3 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 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 7 A R 0 0 127 0, 0.0 34,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 96.4 -5.6 -25.2 50.0 2 8 A P - 0 0 44 0, 0.0 34,-2.0 0, 0.0 2,-0.2 -0.312 360.0-115.1 -64.4 142.0 -6.0 -28.1 47.6 3 9 A P E -a 36 0A 0 0, 0.0 64,-2.7 0, 0.0 2,-0.4 -0.460 22.1-154.7 -74.8 148.6 -5.5 -27.5 43.8 4 10 A V E -ab 37 67A 16 32,-2.8 34,-1.8 62,-0.2 35,-1.2 -0.987 3.5-164.4-120.0 133.8 -8.3 -27.9 41.3 5 11 A F E -ab 39 68A 0 62,-2.2 64,-2.6 -2,-0.4 2,-0.7 -0.991 8.0-155.0-114.3 128.9 -7.7 -28.7 37.7 6 12 A W E - b 0 69A 13 33,-2.6 2,-0.5 -2,-0.5 64,-0.2 -0.921 15.6-176.5-108.0 110.4 -10.7 -28.1 35.3 7 13 A L E - b 0 70A 1 62,-2.7 64,-2.4 -2,-0.7 2,-0.5 -0.908 9.1-156.5-108.3 132.3 -10.5 -30.3 32.2 8 14 A Q E + b 0 71A 16 -2,-0.5 64,-0.2 62,-0.2 62,-0.1 -0.938 17.0 168.4-115.0 132.0 -12.9 -30.1 29.4 9 15 A G S S- 0 0 0 62,-3.2 2,-1.7 -2,-0.5 65,-0.2 0.415 73.5 -12.6 -96.2-121.4 -13.6 -32.9 27.0 10 16 A Q B S+E 73 0B 0 63,-2.7 63,-1.4 73,-0.1 2,-0.2 -0.589 100.5 123.5 -86.7 74.0 -16.6 -32.7 24.7 11 17 A G - 0 0 3 -2,-1.7 -3,-0.1 61,-0.3 102,-0.0 -0.715 64.6-131.1-123.0 178.9 -18.4 -29.8 26.3 12 18 A C - 0 0 13 -2,-0.2 328,-3.2 327,-0.1 329,-0.4 0.244 48.9-109.1-115.7 10.8 -19.6 -26.4 25.3 13 19 A T S > S+ 0 0 1 326,-0.2 4,-2.2 327,-0.1 3,-0.3 0.481 84.5 126.4 71.8 5.6 -18.0 -24.4 28.2 14 20 A G H > + 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.795 66.1 58.1 -64.5 -26.5 -21.5 -23.9 29.5 15 21 A C H > S+ 0 0 5 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.848 108.1 45.3 -72.8 -35.4 -20.5 -25.2 32.9 16 22 A S H > S+ 0 0 11 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.914 114.9 48.0 -69.1 -45.3 -17.8 -22.6 33.3 17 23 A V H X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.928 109.3 52.2 -63.5 -41.6 -20.2 -19.9 32.1 18 24 A T H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.920 108.7 51.3 -64.5 -38.0 -23.0 -21.0 34.5 19 25 A L H >< S+ 0 0 34 -4,-1.5 3,-2.3 1,-0.3 -1,-0.2 0.883 101.5 61.2 -65.1 -37.9 -20.5 -20.9 37.4 20 26 A L H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 99.3 58.9 -59.3 -21.0 -19.5 -17.3 36.4 21 27 A N T << S+ 0 0 8 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.428 78.7 129.7 -86.6 0.7 -23.2 -16.4 37.0 22 28 A S < + 0 0 12 -3,-2.3 412,-0.1 1,-0.1 -3,-0.0 -0.303 33.4 179.3 -59.3 133.1 -23.1 -17.6 40.7 23 29 A V + 0 0 81 411,-0.0 -1,-0.1 4,-0.0 -3,-0.0 0.049 37.5 138.6-111.5 19.0 -24.4 -15.2 43.3 24 30 A H > - 0 0 43 1,-0.2 3,-1.2 2,-0.1 4,-0.4 -0.415 58.4-134.6 -63.7 132.3 -23.6 -17.8 46.0 25 31 A P T 3 S+ 0 0 117 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.798 101.5 51.1 -62.8 -25.6 -22.1 -15.9 48.9 26 32 A S T 3> S+ 0 0 44 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.520 81.4 91.4 -86.2 -9.5 -19.4 -18.5 49.2 27 33 A I H <> S+ 0 0 32 -3,-1.2 4,-2.2 1,-0.2 5,-0.2 0.912 85.2 50.2 -63.8 -42.9 -18.1 -18.6 45.6 28 34 A A H > S+ 0 0 54 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.916 113.9 46.9 -57.6 -42.7 -15.3 -16.0 46.0 29 35 A D H >>S+ 0 0 76 -4,-0.3 4,-2.6 2,-0.2 5,-2.3 0.893 106.3 57.6 -68.2 -40.8 -14.0 -17.7 49.1 30 36 A V H <>S+ 0 0 18 -4,-2.5 5,-2.6 1,-0.2 4,-0.2 0.964 115.8 37.6 -49.7 -50.8 -14.1 -21.1 47.4 31 37 A L H <5S+ 0 0 70 -4,-2.2 6,-0.5 1,-0.2 -2,-0.2 0.749 126.0 34.0 -75.7 -27.8 -11.8 -19.7 44.7 32 38 A L H <5S+ 0 0 96 -4,-1.9 -3,-0.2 -5,-0.2 -1,-0.2 0.706 134.0 11.4-104.4 -21.0 -9.5 -17.5 46.7 33 39 A K T <5S+ 0 0 151 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.670 123.2 44.8-130.4 -38.3 -9.2 -19.3 50.1 34 40 A V T > - 0 0 9 -2,-0.4 4,-2.4 -35,-0.2 3,-1.0 -0.723 34.4-154.9-161.9 106.0 -8.5 -23.9 33.6 41 47 A P T 34 S+ 0 0 27 0, 0.0 249,-2.7 0, 0.0 250,-0.4 0.735 88.9 57.0 -65.7 -24.0 -8.0 -23.3 30.0 42 48 A T T 34 S+ 0 0 17 247,-0.2 247,-0.0 248,-0.2 246,-0.0 0.797 125.3 14.0 -72.8 -28.6 -10.7 -20.7 29.5 43 49 A V T <4 S+ 0 0 22 -3,-1.0 -1,-0.1 247,-0.1 246,-0.0 0.551 92.5 112.1-128.9 -11.0 -9.5 -18.3 32.2 44 50 A M < - 0 0 6 -4,-2.4 359,-0.2 1,-0.1 -6,-0.1 -0.274 62.4-127.6 -73.6 158.5 -5.9 -19.0 33.3 45 51 A A S S+ 0 0 3 357,-2.6 362,-0.2 360,-0.1 361,-0.1 0.918 84.4 58.0 -68.6 -49.1 -2.9 -16.8 32.5 46 52 A W - 0 0 44 359,-0.5 2,-0.3 356,-0.2 360,-0.1 -0.105 67.7-159.1 -85.9-174.2 -0.5 -19.2 31.0 47 53 A E >> + 0 0 6 241,-0.1 4,-1.3 242,-0.1 3,-0.9 -0.940 37.4 5.0-155.7 162.3 -0.9 -21.4 27.9 48 54 A G H >> S- 0 0 1 239,-3.2 4,-2.0 -2,-0.3 3,-0.6 -0.017 116.9 -11.1 62.1-148.9 0.2 -24.4 25.9 49 55 A E H 3> S+ 0 0 75 235,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.805 133.6 61.4 -62.4 -26.4 2.7 -26.9 27.1 50 56 A H H <> S+ 0 0 61 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.895 105.0 46.3 -66.0 -41.0 3.6 -24.5 30.0 51 57 A A H < S+ 0 0 140 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.912 110.8 48.5 -68.1 -43.6 2.8 -34.4 41.6 61 67 A K H 3< S+ 0 0 167 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.810 121.0 37.0 -65.5 -32.1 3.1 -32.2 44.7 62 68 A F T >X S+ 0 0 57 -4,-2.0 3,-2.9 -5,-0.1 4,-1.1 -0.090 80.1 165.7-114.5 37.3 -0.5 -32.9 45.7 63 69 A K T <4 S+ 0 0 134 -3,-1.1 43,-0.1 1,-0.3 -3,-0.1 -0.251 75.4 10.6 -56.3 130.1 -0.8 -36.5 44.6 64 70 A G T 34 S+ 0 0 36 41,-2.5 -1,-0.3 -5,-0.1 42,-0.1 0.365 124.0 69.7 83.2 -5.5 -3.9 -37.9 46.2 65 71 A K T <4 S+ 0 0 120 -3,-2.9 -2,-0.2 -6,-0.2 2,-0.2 0.509 71.4 92.9-124.4 -12.1 -5.1 -34.5 47.3 66 72 A F E < - c 0 106A 0 -4,-1.1 41,-2.9 39,-0.5 42,-0.8 -0.488 63.6-132.6 -89.9 160.1 -6.1 -32.5 44.2 67 73 A F E -bc 4 108A 35 -64,-2.7 -62,-2.2 39,-0.2 2,-0.5 -0.895 9.8-149.5-113.7 140.3 -9.6 -32.3 42.7 68 74 A L E -bc 5 109A 0 40,-2.1 42,-2.9 -2,-0.4 2,-0.6 -0.929 3.3-163.2-106.1 129.3 -10.6 -32.7 39.1 69 75 A V E -bc 6 110A 11 -64,-2.6 -62,-2.7 -2,-0.5 2,-0.5 -0.978 15.8-166.6-102.7 122.9 -13.5 -30.9 37.6 70 76 A I E -bc 7 111A 0 40,-3.1 42,-2.2 -2,-0.6 2,-0.4 -0.966 7.6-177.3-116.1 122.6 -14.4 -32.7 34.4 71 77 A E E +bc 8 112A 8 -64,-2.4 -62,-3.2 -2,-0.5 -60,-0.2 -0.891 49.0 21.2-114.9 148.4 -16.7 -31.1 32.0 72 78 A G S S- 0 0 1 40,-0.6 -61,-0.3 -2,-0.4 62,-0.1 0.156 90.2 -69.3 80.7 158.6 -17.9 -32.7 28.7 73 79 A S B -E 10 0B 0 -63,-1.4 -63,-2.7 46,-0.2 60,-0.2 -0.311 42.1-119.3 -78.9 167.2 -18.0 -36.3 27.7 74 80 A V E -F 132 0C 0 58,-2.6 58,-1.5 41,-0.2 2,-0.5 -0.932 23.4-148.1-111.6 109.7 -14.9 -38.4 26.9 75 81 A P E +F 131 0C 1 0, 0.0 21,-0.3 0, 0.0 56,-0.3 -0.677 17.7 179.1 -87.8 126.8 -14.8 -39.7 23.4 76 82 A V > + 0 0 58 54,-1.8 3,-0.5 -2,-0.5 4,-0.4 0.609 45.6 102.9-100.6 -12.2 -13.1 -43.1 23.0 77 83 A E G > >S+ 0 0 106 52,-1.9 3,-1.3 1,-0.2 5,-0.6 -0.228 80.2 24.0 -69.7 161.4 -13.4 -43.8 19.2 78 84 A A G > 5S- 0 0 27 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.872 134.1 -64.8 53.2 38.1 -10.5 -43.3 16.9 79 85 A D G < 5S- 0 0 147 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.823 97.1 -55.5 56.8 35.1 -8.0 -43.8 19.7 80 86 A G G X 5S+ 0 0 2 -3,-1.3 3,-1.8 -4,-0.4 15,-0.5 0.408 100.6 131.8 86.1 -0.9 -9.2 -40.7 21.5 81 87 A K T < 5 + 0 0 78 -3,-2.0 3,-0.3 -4,-0.3 -3,-0.1 0.594 54.7 75.3 -66.3 -13.7 -8.5 -38.4 18.5 82 88 A Y T 3 S-H 91 0E 18 3,-2.6 3,-2.2 -2,-0.3 -2,-0.0 -0.963 77.7 -30.0-120.2 113.1 3.7 -31.6 25.8 89 95 A N T 3 S- 0 0 109 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.902 128.9 -42.0 43.4 55.2 6.9 -31.4 23.8 90 96 A H T 3 S+ 0 0 145 1,-0.2 2,-0.8 194,-0.1 -1,-0.3 0.326 113.6 118.1 79.5 -4.3 5.3 -32.8 20.6 91 97 A H E < -H 88 0E 132 -3,-2.2 -3,-2.6 2,-0.0 -1,-0.2 -0.845 58.8-140.9-100.9 112.6 3.3 -35.4 22.5 92 98 A E E -H 87 0E 107 -2,-0.8 2,-0.6 -5,-0.2 -5,-0.3 -0.401 8.2-150.1 -68.7 144.9 -0.5 -34.9 22.1 93 99 A I E -H 86 0E 13 -7,-2.9 -8,-2.6 -2,-0.1 -7,-0.9 -0.945 10.7-160.2-119.6 107.9 -2.7 -35.6 25.1 94 100 A S E > -H 84 0E 6 -2,-0.6 4,-2.8 -10,-0.3 -10,-0.3 -0.359 34.7-108.5 -75.4 164.2 -6.2 -36.8 24.4 95 101 A M H > S+ 0 0 0 -12,-2.7 4,-2.4 -15,-0.5 5,-0.2 0.911 123.3 55.5 -58.4 -39.6 -9.0 -36.5 26.9 96 102 A V H > S+ 0 0 13 -13,-0.3 4,-2.0 -21,-0.3 -1,-0.2 0.950 111.1 43.0 -53.6 -50.8 -8.8 -40.3 27.2 97 103 A D H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.888 110.9 55.3 -69.9 -36.4 -5.1 -40.0 28.1 98 104 A A H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.933 110.1 45.0 -61.6 -45.9 -5.6 -37.1 30.4 99 105 A L H X5S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 111.4 53.0 -67.6 -34.7 -8.1 -38.9 32.5 100 106 A K H <5S+ 0 0 90 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.794 116.6 41.6 -66.7 -29.6 -5.9 -42.1 32.5 101 107 A E H <5S+ 0 0 68 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.949 128.6 23.2 -81.0 -57.0 -3.0 -39.9 33.8 102 108 A F H >X5S+ 0 0 7 -4,-3.0 3,-1.3 -5,-0.2 4,-0.8 0.800 108.0 74.2 -83.7 -33.0 -4.7 -37.6 36.4 103 109 A G G >< +cd 71 150A 0 -42,-2.2 -40,-0.6 -2,-1.0 4,-0.5 -0.786 46.9 17.6 -99.4 130.2 -20.1 -31.3 36.0 113 119 A G H > S- 0 0 5 37,-2.9 4,-2.5 -2,-0.4 37,-0.2 0.147 90.0 -85.3 91.8 152.0 -22.8 -31.2 33.4 114 120 A T H >>S+ 0 0 1 38,-1.9 4,-2.8 1,-0.2 5,-0.8 0.807 123.8 60.5 -62.4 -30.8 -25.0 -33.8 31.8 115 121 A C H >5S+ 0 0 24 37,-0.3 4,-1.7 3,-0.2 -41,-0.2 0.967 113.0 35.8 -60.5 -54.3 -22.3 -34.6 29.2 116 122 A A H <5S+ 0 0 0 -4,-0.5 18,-2.9 1,-0.2 19,-0.5 0.890 122.7 46.9 -66.2 -40.7 -19.7 -35.6 31.8 117 123 A A H <5S- 0 0 2 -4,-2.5 18,-0.3 16,-0.2 19,-0.2 0.939 138.0 -3.6 -66.6 -47.8 -22.3 -37.2 34.1 118 124 A Y H <5S- 0 0 40 -4,-2.8 15,-0.2 -5,-0.2 -3,-0.2 0.403 99.2 -95.8-134.2 -3.2 -24.2 -39.3 31.6 119 125 A G X< - 0 0 2 -4,-1.7 4,-0.8 -5,-0.8 -46,-0.2 -0.258 57.7-174.1 106.7 -45.2 -22.9 -38.6 28.0 120 126 A G T >4 - 0 0 6 -6,-0.4 3,-1.2 145,-0.3 4,-0.4 -0.002 55.5 -14.1 59.1-152.3 -25.5 -36.0 27.1 121 127 A I G >4 S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.901 132.8 57.1 -58.5 -41.3 -25.8 -34.5 23.6 122 128 A P G 34 S+ 0 0 1 0, 0.0 9,-0.4 0, 0.0 7,-0.4 0.767 110.9 45.6 -62.9 -21.0 -22.4 -35.8 22.3 123 129 A A G << S+ 0 0 43 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.2 0.395 93.6 115.4 -94.6 1.8 -23.5 -39.4 23.2 124 130 A A S X S- 0 0 4 -3,-1.9 3,-2.2 -4,-0.4 7,-0.1 -0.103 81.1 -64.9 -77.2 166.5 -27.0 -39.0 21.6 125 131 A E T 3 S+ 0 0 145 1,-0.3 -1,-0.2 198,-0.0 3,-0.1 -0.209 123.6 31.6 -52.3 133.1 -28.4 -40.8 18.6 126 132 A G T 3 S+ 0 0 24 1,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.291 91.1 120.8 99.7 -9.7 -26.5 -39.9 15.4 127 133 A S < - 0 0 34 -3,-2.2 -1,-0.4 195,-0.2 191,-0.1 -0.456 37.2-177.2 -80.6 160.9 -23.2 -39.4 17.2 128 134 A E + 0 0 92 189,-0.4 -1,-0.1 -2,-0.1 -5,-0.1 0.140 56.5 91.5-149.2 26.8 -20.1 -41.4 16.3 129 135 A T S S- 0 0 0 -7,-0.4 -52,-1.9 188,-0.2 -47,-0.2 0.453 92.1-115.0-103.6 -0.8 -17.3 -40.4 18.6 130 136 A G - 0 0 24 -54,-0.2 -54,-1.8 -55,-0.2 2,-0.2 0.867 41.1-166.1 65.3 36.9 -17.8 -42.9 21.4 131 137 A A E -F 75 0C 14 -9,-0.4 2,-0.4 -56,-0.3 -1,-0.2 -0.386 9.6-170.8 -57.6 125.0 -18.7 -40.1 23.8 132 138 A T E -F 74 0C 26 -58,-1.5 -58,-2.6 -2,-0.2 -13,-0.2 -0.935 24.8-111.4-128.9 140.0 -18.6 -41.7 27.3 133 139 A A > - 0 0 13 -2,-0.4 4,-2.7 -15,-0.2 5,-0.2 -0.370 32.6-117.7 -64.1 150.6 -19.6 -40.5 30.7 134 140 A V H > S+ 0 0 0 -18,-2.9 4,-2.9 1,-0.2 5,-0.3 0.930 111.7 48.5 -59.1 -50.2 -16.8 -39.8 33.1 135 141 A S H > S+ 0 0 51 -19,-0.5 4,-2.6 -18,-0.3 -1,-0.2 0.899 114.3 47.5 -61.8 -39.4 -17.7 -42.4 35.8 136 142 A K H > S+ 0 0 116 2,-0.2 4,-2.8 -19,-0.2 -1,-0.2 0.927 112.3 49.2 -66.8 -46.1 -18.1 -45.1 33.0 137 143 A F H X S+ 0 0 4 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.940 113.4 45.8 -60.3 -47.0 -14.9 -44.2 31.4 138 144 A L H ><>S+ 0 0 2 -4,-2.9 5,-2.7 -5,-0.2 3,-0.7 0.948 114.5 48.0 -63.6 -45.4 -12.9 -44.3 34.6 139 145 A G H ><5S+ 0 0 49 -4,-2.6 3,-1.9 -5,-0.3 -1,-0.2 0.910 108.0 54.4 -59.9 -45.2 -14.6 -47.6 35.7 140 146 A D H 3<5S+ 0 0 99 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.730 110.8 48.1 -58.3 -27.2 -13.9 -49.2 32.3 141 147 A N T <<5S- 0 0 65 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.101 120.3-106.5-104.9 17.1 -10.2 -48.3 32.7 142 148 A G T < 5S+ 0 0 61 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.675 71.6 142.0 71.5 22.5 -9.9 -49.6 36.3 143 149 A I < - 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0 0 0 -2,-0.5 4,-1.8 49,-0.2 -19,-0.2 -0.409 35.6-103.0-107.7 176.4 -20.5 -20.4 12.2 708 444 B A H > S+ 0 0 5 -21,-0.3 4,-1.7 1,-0.2 3,-0.2 0.953 116.8 44.6 -68.9 -52.2 -18.3 -17.4 13.0 709 445 B S H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.718 107.2 63.2 -72.2 -15.5 -15.2 -19.0 14.4 710 446 B L H > S+ 0 0 1 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.935 104.6 46.3 -62.7 -48.1 -15.4 -21.4 11.5 711 447 B W H < S+ 0 0 3 -4,-1.8 13,-0.7 -23,-0.3 -2,-0.2 0.865 123.7 34.7 -61.2 -35.3 -14.8 -18.4 9.2 712 448 B N H < S+ 0 0 0 -4,-1.7 13,-2.6 1,-0.1 14,-0.4 0.915 122.7 36.7 -86.3 -44.4 -12.0 -17.2 11.4 713 449 B C H < S+ 0 0 0 -4,-3.0 -133,-0.1 11,-0.2 -2,-0.1 0.057 83.5 127.3-108.5 25.8 -10.1 -20.2 12.8 714 450 B N < - 0 0 0 -4,-0.6 9,-0.5 -3,-0.1 12,-0.4 -0.332 53.9-119.6 -81.1 160.5 -10.3 -22.6 9.8 715 451 B P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 -0.159 51.7 -54.7 -84.6-174.4 -7.3 -24.4 8.2 716 452 B R - 0 0 26 -166,-0.1 -166,-0.6 6,-0.1 6,-0.2 -0.235 54.0-125.0 -59.1 150.7 -6.1 -24.2 4.6 717 453 B D > - 0 0 0 4,-2.1 3,-2.0 -168,-0.1 -1,-0.1 -0.272 40.0 -85.6 -85.4-177.9 -8.5 -24.8 1.8 718 454 B D T 3 S+ 0 0 42 1,-0.3 -2,-0.1 -136,-0.2 -1,-0.0 0.723 128.9 54.1 -67.4 -20.8 -7.9 -27.4 -0.9 719 455 B M T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.359 121.0-103.5 -93.3 0.1 -5.9 -24.8 -2.9 720 456 B G S < S+ 0 0 38 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.523 71.0 144.9 92.4 5.0 -3.5 -24.0 -0.1 721 457 B Q - 0 0 53 1,-0.1 -4,-2.1 -6,-0.1 -1,-0.3 -0.679 47.1-124.8 -77.8 126.0 -5.1 -20.6 1.0 722 458 B R - 0 0 52 -2,-0.4 -6,-0.1 -6,-0.2 -1,-0.1 -0.216 21.8-101.7 -68.4 158.9 -4.9 -20.1 4.7 723 459 B G > - 0 0 0 -9,-0.5 4,-2.7 1,-0.1 5,-0.3 -0.258 43.4 -96.9 -70.1 166.1 -7.8 -19.4 7.1 724 460 B A H > S+ 0 0 5 -13,-0.7 4,-2.1 -134,-0.4 -218,-0.2 0.894 123.0 39.6 -59.4 -48.4 -8.3 -15.8 8.2 725 461 B V H > S+ 0 0 0 -13,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.898 112.5 56.7 -71.3 -40.3 -6.5 -16.1 11.6 726 462 B E H > S+ 0 0 0 -14,-0.4 4,-0.5 -12,-0.4 3,-0.2 0.932 112.8 42.5 -51.1 -47.8 -3.7 -18.3 10.1 727 463 B E H >< S+ 0 0 41 -4,-2.7 3,-1.0 1,-0.2 -222,-0.4 0.865 109.4 56.5 -67.6 -38.2 -3.0 -15.5 7.6 728 464 B A H 3< S+ 0 0 1 -4,-2.1 -223,-0.3 -5,-0.3 -225,-0.3 0.753 98.6 63.7 -66.2 -22.6 -3.3 -12.8 10.3 729 465 B L H >< S+ 0 0 0 -4,-1.7 3,-2.2 -3,-0.2 -423,-0.3 0.766 78.7 104.1 -69.7 -26.6 -0.6 -14.5 12.2 730 466 B I T << S+ 0 0 51 -3,-1.0 -227,-0.4 -4,-0.5 -225,-0.3 -0.385 88.3 16.5 -62.6 126.8 1.8 -13.9 9.4 731 467 B G T 3 S+ 0 0 29 -425,-2.7 -1,-0.3 1,-0.3 -424,-0.1 0.350 85.2 147.1 93.6 -6.5 4.2 -11.1 10.4 732 468 B I < - 0 0 0 -3,-2.2 -426,-2.4 -426,-0.1 -1,-0.3 -0.417 53.3-112.3 -64.0 132.0 3.4 -11.2 14.1 733 469 B P B +O 305 0J 29 0, 0.0 9,-0.3 0, 0.0 -428,-0.3 -0.491 38.1 172.2 -74.8 134.0 6.5 -10.3 16.0 734 470 B V + 0 0 4 -430,-2.7 -430,-0.2 -2,-0.2 3,-0.2 -0.715 10.1 160.6-134.0 81.9 8.3 -12.9 18.1 735 471 B D S S+ 0 0 147 1,-0.2 2,-0.4 -2,-0.2 -430,-0.1 0.649 74.1 43.3 -76.4 -16.5 11.5 -11.2 19.2 736 472 B D > - 0 0 35 3,-0.2 3,-1.7 1,-0.1 -1,-0.2 -0.885 63.5-167.8-136.1 103.4 11.8 -13.8 22.0 737 473 B I T 3 S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.727 91.6 58.3 -62.5 -23.2 11.2 -17.5 21.2 738 474 B Q T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -331,-0.0 -329,-0.1 0.627 118.1 31.2 -79.3 -16.1 11.1 -18.3 25.0 739 475 B N S < S+ 0 0 15 -3,-1.7 2,-1.9 -332,-0.1 3,-0.3 -0.551 71.5 166.5-138.0 65.6 8.3 -15.8 25.5 740 476 B P >> + 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.252 16.1 150.2 -85.7 54.7 6.3 -15.9 22.3 741 477 B V H 3> + 0 0 16 -2,-1.9 4,-1.7 -332,-0.3 5,-0.1 0.712 55.8 67.3 -66.3 -23.9 3.3 -14.0 23.7 742 478 B N H 3> S+ 0 0 18 -9,-0.3 4,-2.1 -3,-0.3 -1,-0.3 0.702 87.0 69.2 -74.9 -17.3 2.1 -12.3 20.5 743 479 B V H <> S+ 0 0 0 -3,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.986 110.0 32.5 -61.3 -56.6 1.0 -15.5 18.8 744 480 B A H X S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 5,-0.2 0.819 113.3 62.6 -74.6 -26.5 -1.8 -16.1 21.2 745 481 B R H X S+ 0 0 2 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.924 105.6 47.3 -59.5 -43.4 -2.5 -12.4 21.6 746 482 B L H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.946 112.4 49.0 -60.0 -48.0 -3.3 -12.2 17.9 747 483 B I H >< S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.926 108.3 53.7 -58.9 -45.5 -5.5 -15.3 18.2 748 484 B R H >< S+ 0 0 2 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.799 94.4 69.8 -64.6 -27.0 -7.4 -13.8 21.2 749 485 B A H 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.819 97.8 52.0 -59.5 -28.7 -8.1 -10.6 19.3 750 486 B F T << S- 0 0 3 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.394 106.3-132.9 -85.5 -4.5 -10.5 -12.6 17.1 751 487 B D < - 0 0 0 -3,-2.0 -3,-0.1 -4,-0.2 -2,-0.1 0.912 31.3-156.9 54.0 56.4 -12.3 -14.0 20.2 752 488 B P - 0 0 1 0, 0.0 -460,-2.3 0, 0.0 2,-0.4 -0.281 23.7-175.8 -67.4 149.4 -12.3 -17.7 19.1 753 489 B X B > -p 292 0K 1 -462,-0.2 4,-1.6 1,-0.1 -460,-0.2 -0.901 5.7-169.3-139.2 108.6 -14.7 -20.4 20.3 754 490 B L H > S+ 0 0 5 -462,-2.6 4,-2.3 -2,-0.4 5,-0.5 0.740 82.5 69.2 -76.9 -19.3 -13.8 -23.7 18.9 755 491 B G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.972 107.6 41.1 -56.1 -52.5 -17.0 -25.3 20.0 756 492 B C H 4 S+ 0 0 5 1,-0.2 -49,-0.2 2,-0.2 -2,-0.2 0.895 112.0 55.6 -57.1 -45.1 -18.7 -23.1 17.4 757 493 B A H < S+ 0 0 1 -4,-1.6 -176,-0.4 1,-0.2 -1,-0.2 0.864 124.0 21.2 -62.9 -37.9 -16.0 -23.6 14.8 758 494 B V H < 0 0 7 -4,-2.3 -2,-0.2 -178,-0.1 -3,-0.2 0.843 360.0 360.0 -98.1 -43.4 -16.2 -27.4 14.8 759 495 B H < 0 0 6 -4,-2.4 -442,-2.3 -5,-0.5 -441,-1.5 -0.211 360.0 360.0 45.4 360.0 -19.7 -28.3 16.2