==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 09-NOV-05 2EXV . COMPND 2 MOLECULE: CYTOCHROME C-551; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.BONIVENTO,A.DI MATTEO,A.BORGIA,C.TRAVAGLINI-ALLOCATELLI,M. . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL 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 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 E 0 0 143 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-133.4 -31.1 17.3 -2.1 2 2 A D > - 0 0 82 1,-0.1 4,-2.1 2,-0.0 5,-0.1 -0.488 360.0-134.1 -52.4 130.3 -29.6 13.8 -2.2 3 3 A P H > S+ 0 0 29 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.841 106.6 55.8 -63.8 -30.7 -25.9 14.4 -1.4 4 4 A E H > S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.841 106.0 52.3 -70.7 -29.9 -24.9 12.1 -4.3 5 5 A V H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.920 109.8 47.0 -67.7 -47.4 -26.9 14.3 -6.5 6 6 A L H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 6,-0.4 0.903 107.4 58.5 -55.7 -43.5 -25.1 17.4 -5.3 7 7 A A H <>S+ 0 0 4 -4,-2.5 6,-1.6 1,-0.2 5,-0.9 0.866 113.5 38.7 -58.7 -36.1 -21.8 15.5 -5.8 8 8 A K H ><5S+ 0 0 144 -4,-1.5 3,-1.4 4,-0.2 -1,-0.2 0.941 118.7 45.3 -72.7 -54.9 -22.7 15.1 -9.4 9 9 A N H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.829 113.7 49.3 -63.8 -31.8 -24.2 18.5 -10.1 10 10 A K T 3<5S- 0 0 73 -4,-3.0 -1,-0.3 -5,-0.2 55,-0.2 0.311 114.9-112.7 -95.9 8.0 -21.6 20.4 -8.3 11 11 A G T X 5S+ 0 0 36 -3,-1.4 3,-1.5 -5,-0.2 4,-0.4 0.492 76.8 129.9 81.1 4.2 -18.7 18.7 -10.1 12 12 A C G >>< + 0 0 16 -5,-0.9 3,-1.7 -6,-0.4 4,-1.7 0.837 65.7 67.6 -57.3 -34.5 -17.2 16.8 -7.1 13 13 A V G 34 S+ 0 0 82 -6,-1.6 -1,-0.3 1,-0.3 -5,-0.1 0.667 86.5 68.3 -66.0 -15.8 -17.3 13.5 -9.2 14 14 A A G <4 S+ 0 0 14 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.817 120.1 17.3 -68.2 -25.7 -14.6 14.9 -11.5 15 15 A C T <4 S+ 0 0 31 -3,-1.7 9,-2.8 -4,-0.4 8,-0.4 0.484 122.5 49.3-127.3 -9.0 -12.1 14.7 -8.6 16 16 A H < - 0 0 28 -4,-1.7 2,-0.3 7,-0.2 -1,-0.2 -0.993 47.3-174.5-140.9 145.1 -13.5 12.4 -5.9 17 17 A A - 0 0 28 3,-0.8 10,-2.0 -2,-0.4 11,-0.2 -0.879 32.8-124.4-126.1 160.4 -15.1 9.0 -5.6 18 18 A I S S+ 0 0 37 -2,-0.3 10,-2.6 8,-0.2 11,-0.3 0.936 108.5 17.2 -65.2 -42.6 -16.6 7.3 -2.5 19 19 A D S S+ 0 0 105 8,-0.1 2,-0.4 7,-0.1 -1,-0.1 0.411 115.6 67.4-116.0 -0.6 -14.3 4.3 -2.7 20 20 A T S S- 0 0 89 5,-0.1 -3,-0.8 0, 0.0 2,-0.4 -0.966 75.6-118.6-132.0 139.7 -11.4 5.1 -5.0 21 21 A K + 0 0 168 -2,-0.4 -5,-0.1 5,-0.1 2,-0.1 -0.587 46.8 153.1 -72.3 122.3 -8.5 7.5 -4.8 22 22 A M - 0 0 73 2,-1.7 -6,-0.1 -2,-0.4 -7,-0.1 -0.015 69.7 -49.9-120.4-129.9 -8.7 10.1 -7.6 23 23 A V S S+ 0 0 31 -8,-0.4 -7,-0.2 -9,-0.2 36,-0.1 0.928 132.5 40.7 -72.4 -48.5 -7.3 13.6 -7.6 24 24 A G S S- 0 0 14 -9,-2.8 -2,-1.7 1,-0.1 -7,-0.2 -0.545 110.2 -81.9 -91.2 162.9 -8.9 14.3 -4.2 25 25 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.298 51.3 -98.0 -64.8 152.1 -9.0 11.7 -1.4 26 26 A A >> - 0 0 0 1,-0.1 4,-2.0 -10,-0.1 3,-0.6 -0.426 29.1-125.1 -64.4 143.8 -11.7 9.0 -1.5 27 27 A Y H 3> S+ 0 0 19 -10,-2.0 4,-2.7 1,-0.3 5,-0.2 0.870 111.4 59.3 -63.5 -36.7 -14.6 10.0 0.8 28 28 A K H 3> S+ 0 0 69 -10,-2.6 4,-1.9 -11,-0.2 -1,-0.3 0.875 107.7 46.7 -53.5 -40.8 -14.2 6.7 2.6 29 29 A D H <> S+ 0 0 72 -3,-0.6 4,-2.5 -11,-0.3 -2,-0.2 0.865 110.7 51.2 -74.4 -37.8 -10.7 7.8 3.5 30 30 A V H X S+ 0 0 9 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.948 110.1 50.4 -57.5 -50.8 -11.8 11.3 4.6 31 31 A A H X S+ 0 0 9 -4,-2.7 4,-0.5 47,-0.3 -2,-0.2 0.895 113.0 45.6 -54.3 -48.7 -14.4 9.8 6.9 32 32 A A H >< S+ 0 0 70 -4,-1.9 3,-0.7 -5,-0.2 -1,-0.2 0.920 113.6 49.7 -61.7 -46.3 -11.9 7.4 8.5 33 33 A K H 3< S+ 0 0 138 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.924 116.3 39.2 -60.0 -48.7 -9.3 10.2 8.9 34 34 A F H >< S+ 0 0 20 -4,-2.8 3,-1.5 -5,-0.1 -1,-0.2 0.372 86.8 123.3 -89.6 2.0 -11.7 12.7 10.5 35 35 A A T << S+ 0 0 67 -3,-0.7 3,-0.1 -4,-0.5 -3,-0.0 -0.427 77.6 18.4 -58.4 134.6 -13.4 10.1 12.6 36 36 A G T 3 S+ 0 0 91 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.637 95.9 123.8 77.4 15.5 -13.2 11.0 16.2 37 37 A Q X - 0 0 106 -3,-1.5 3,-1.3 0, 0.0 -1,-0.2 -0.942 60.1-125.1-113.7 127.4 -12.4 14.6 15.7 38 38 A A T 3 S+ 0 0 108 -2,-0.5 -3,-0.0 1,-0.2 0, 0.0 -0.339 92.9 14.3 -63.4 140.5 -14.4 17.5 17.2 39 39 A G T 3> S+ 0 0 55 1,-0.1 4,-2.3 3,-0.1 -1,-0.2 0.616 82.1 135.4 73.4 13.3 -15.7 20.1 14.7 40 40 A A H <> + 0 0 10 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.873 68.1 51.7 -63.5 -41.0 -15.0 17.9 11.7 41 41 A E H > S+ 0 0 74 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 112.1 44.8 -60.0 -48.6 -18.3 18.6 10.0 42 42 A A H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 115.3 48.1 -66.7 -42.5 -18.0 22.4 10.2 43 43 A E H X S+ 0 0 64 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.908 112.9 47.3 -63.4 -44.4 -14.4 22.3 9.1 44 44 A L H X S+ 0 0 15 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.906 109.8 54.8 -67.0 -37.8 -15.1 20.0 6.1 45 45 A A H X S+ 0 0 16 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.944 109.7 45.5 -58.2 -47.8 -18.0 22.2 5.2 46 46 A Q H X S+ 0 0 77 -4,-2.3 4,-3.3 1,-0.2 5,-0.3 0.911 113.9 50.1 -66.6 -36.5 -15.9 25.4 5.0 47 47 A R H X S+ 0 0 66 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.873 108.5 51.2 -69.0 -38.4 -13.1 23.5 3.1 48 48 A I H < S+ 0 0 27 -4,-2.5 16,-0.6 2,-0.2 -1,-0.2 0.913 118.6 39.2 -61.2 -41.5 -15.6 22.1 0.5 49 49 A K H < S+ 0 0 67 -4,-2.0 15,-1.5 -5,-0.2 -2,-0.2 0.947 129.0 28.5 -72.8 -49.6 -17.0 25.7 0.0 50 50 A N H < S- 0 0 86 -4,-3.3 -3,-0.2 13,-0.2 -2,-0.2 0.558 104.4-123.9 -96.1 -10.0 -13.7 27.6 0.2 51 51 A G < - 0 0 13 -4,-2.2 2,-0.3 11,-0.3 -1,-0.2 -0.148 23.4-143.6 86.9 168.2 -11.1 25.1 -1.1 52 52 A S B -A 61 0A 34 9,-1.2 9,-2.9 -4,-0.1 2,-0.3 -0.966 10.4-162.1-156.6 170.2 -8.0 23.9 0.7 53 53 A Q S S+ 0 0 124 -2,-0.3 6,-0.1 7,-0.2 0, 0.0 -0.938 73.4 25.2-155.7 137.5 -4.4 22.9 0.0 54 54 A G S S+ 0 0 58 3,-2.4 5,-0.0 5,-0.4 0, 0.0 0.511 86.2 103.2 90.1 5.2 -2.0 20.9 2.2 55 55 A V S S+ 0 0 52 2,-0.3 -2,-0.0 1,-0.0 0, 0.0 0.910 109.1 2.2 -79.0 -45.5 -4.7 19.0 4.2 56 56 A W S S- 0 0 107 1,-0.4 -3,-0.0 3,-0.2 -1,-0.0 0.595 135.5 -43.8-114.7 -19.9 -4.1 15.9 2.3 57 57 A G S S- 0 0 28 2,-0.2 -3,-2.4 1,-0.0 -1,-0.4 -0.978 71.3 -63.6 172.2-170.5 -1.3 17.0 -0.0 58 58 A P S S+ 0 0 89 0, 0.0 38,-0.1 0, 0.0 39,-0.1 0.661 96.4 95.2 -77.1 -17.6 0.1 19.7 -2.3 59 59 A I S S- 0 0 55 37,-0.2 -5,-0.4 -36,-0.1 2,-0.3 -0.600 73.8-135.6 -75.7 126.2 -2.7 19.5 -4.9 60 60 A P - 0 0 58 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.603 3.6-137.4 -83.2 146.1 -5.3 22.2 -4.0 61 61 A M B -A 52 0A 49 -9,-2.9 -9,-1.2 -2,-0.3 3,-0.1 -0.893 29.6-136.5 -85.5 121.5 -9.0 21.8 -4.0 62 62 A P - 0 0 49 0, 0.0 -11,-0.3 0, 0.0 -10,-0.0 -0.393 34.6 -80.5 -72.3 162.9 -10.3 25.0 -5.6 63 63 A P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -13,-0.2 -0.275 48.3-136.5 -57.0 147.3 -13.3 26.7 -4.1 64 64 A N - 0 0 44 -15,-1.5 2,-2.2 -16,-0.6 7,-0.1 -0.896 14.0-120.6-110.6 142.6 -16.7 25.1 -5.0 65 65 A A + 0 0 99 -2,-0.4 2,-0.3 -55,-0.2 -16,-0.1 -0.432 69.1 126.1 -81.2 65.4 -19.9 27.0 -6.0 66 66 A V - 0 0 11 -2,-2.2 2,-0.1 -17,-0.2 -2,-0.1 -0.889 57.8-122.1-121.7 147.7 -22.0 25.6 -3.2 67 67 A S > - 0 0 54 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.364 35.9-101.5 -75.5 172.7 -24.0 27.3 -0.5 68 68 A D H > S+ 0 0 110 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 125.9 52.2 -60.7 -41.7 -23.4 26.8 3.2 69 69 A D H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 111.3 45.2 -57.8 -50.7 -26.4 24.5 3.3 70 70 A E H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 112.8 51.1 -59.9 -45.2 -25.0 22.4 0.4 71 71 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.878 111.6 47.5 -58.7 -43.5 -21.5 22.4 1.9 72 72 A Q H X S+ 0 0 80 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.947 111.5 50.3 -64.6 -50.1 -23.0 21.1 5.3 73 73 A T H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.908 114.1 45.4 -51.7 -48.4 -25.1 18.4 3.5 74 74 A L H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.909 112.5 50.4 -61.9 -43.4 -22.0 17.3 1.6 75 75 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 111.3 47.8 -64.8 -44.8 -19.7 17.3 4.7 76 76 A K H X S+ 0 0 129 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.911 113.8 47.9 -61.2 -43.6 -22.2 15.3 6.8 77 77 A W H >< S+ 0 0 30 -4,-2.0 3,-0.6 -5,-0.3 4,-0.3 0.906 110.1 51.2 -68.7 -41.2 -22.6 12.8 4.0 78 78 A V H >< S+ 0 0 7 -4,-2.7 3,-1.8 1,-0.2 -47,-0.3 0.938 108.9 51.9 -59.4 -47.6 -18.8 12.4 3.4 79 79 A L H 3< S+ 0 0 46 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.692 104.6 57.8 -63.3 -20.7 -18.2 11.8 7.1 80 80 A S T << S+ 0 0 75 -4,-0.9 2,-1.9 -3,-0.6 -1,-0.3 0.470 72.2 114.1 -87.6 -3.5 -20.8 9.1 7.1 81 81 A Q < 0 0 33 -3,-1.8 -49,-0.2 -4,-0.3 -50,-0.1 -0.476 360.0 360.0 -75.7 88.2 -19.1 7.0 4.5 82 82 A K 0 0 251 -2,-1.9 -1,-0.1 -51,-0.1 -50,-0.1 0.697 360.0 360.0 -90.9 360.0 -18.2 4.0 6.5 83 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 2 C D > 0 0 137 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 100.1 12.9 31.3 -15.6 85 3 C P H > + 0 0 37 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.808 360.0 57.7 -63.1 -32.0 9.9 29.1 -16.6 86 4 C E H > S+ 0 0 105 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.924 110.1 43.4 -65.0 -42.7 11.0 26.2 -14.3 87 5 C V H > S+ 0 0 67 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.886 112.1 54.0 -68.5 -40.9 10.8 28.5 -11.3 88 6 C L H X S+ 0 0 28 -4,-2.2 4,-2.5 2,-0.2 6,-0.3 0.903 105.7 52.6 -57.6 -46.3 7.5 30.0 -12.5 89 7 C A H <>S+ 0 0 1 -4,-2.4 6,-1.3 1,-0.2 5,-1.2 0.819 112.8 47.1 -61.9 -32.5 6.0 26.5 -12.7 90 8 C K H ><5S+ 0 0 118 -4,-1.2 3,-1.5 4,-0.2 -2,-0.2 0.956 113.6 44.4 -71.5 -52.0 7.1 26.0 -9.2 91 9 C N H 3<5S+ 0 0 103 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.783 112.7 52.3 -68.1 -25.1 5.8 29.3 -7.8 92 10 C K T 3<5S- 0 0 77 -4,-2.5 -1,-0.3 -5,-0.2 55,-0.2 0.353 115.4-111.7 -92.6 3.4 2.5 29.1 -9.6 93 11 C G T X 5S+ 0 0 34 -3,-1.5 3,-1.4 -5,-0.1 4,-0.4 0.489 78.1 128.9 86.5 5.2 1.7 25.6 -8.3 94 12 C C G >>< + 0 0 18 -5,-1.2 4,-1.7 -6,-0.3 3,-1.6 0.847 65.4 66.1 -61.4 -35.8 2.0 23.7 -11.6 95 13 C V G 34 S+ 0 0 79 -6,-1.3 -1,-0.3 1,-0.3 -5,-0.1 0.635 87.4 70.1 -61.3 -18.5 4.5 21.1 -10.1 96 14 C A G <4 S+ 0 0 11 -3,-1.4 -1,-0.3 1,-0.1 9,-0.2 0.796 118.9 15.0 -66.5 -30.5 1.6 19.9 -7.8 97 15 C C T <4 S+ 0 0 28 -3,-1.6 9,-2.8 -4,-0.4 2,-0.4 0.525 120.8 56.8-123.1 -14.1 -0.1 18.3 -10.9 98 16 C H < - 0 0 29 -4,-1.7 2,-0.3 7,-0.2 -1,-0.2 -0.994 49.6-174.2-131.9 135.4 2.3 18.1 -13.7 99 17 C A - 0 0 25 3,-0.9 10,-2.1 -2,-0.4 11,-0.2 -0.830 31.4-126.9-115.5 159.7 5.7 16.6 -14.2 100 18 C I S S+ 0 0 47 -2,-0.3 10,-2.1 8,-0.2 11,-0.3 0.942 107.9 18.4 -64.6 -45.4 8.0 17.0 -17.3 101 19 C D S S+ 0 0 104 8,-0.1 2,-0.4 7,-0.1 7,-0.1 0.684 117.6 60.8-103.8 -29.6 8.3 13.3 -17.7 102 20 C T S S- 0 0 92 5,-0.1 -3,-0.9 8,-0.0 2,-0.6 -0.850 75.5-117.5-116.2 143.0 5.6 11.6 -15.7 103 21 C K + 0 0 156 -2,-0.4 -5,-0.1 5,-0.1 2,-0.1 -0.681 46.2 154.2 -70.6 117.1 1.8 11.6 -15.8 104 22 C M S S- 0 0 73 2,-1.4 -6,-0.1 -2,-0.6 -7,-0.1 0.161 71.9 -41.4-107.2-128.3 0.5 13.0 -12.6 105 23 C V S S+ 0 0 33 -8,-0.4 -7,-0.2 -9,-0.2 36,-0.1 0.951 134.2 35.8 -66.4 -52.2 -2.9 14.7 -12.3 106 24 C G S S- 0 0 10 -9,-2.8 -2,-1.4 1,-0.2 -7,-0.3 -0.554 109.3 -74.7 -98.7 166.1 -2.4 16.5 -15.6 107 25 C P - 0 0 22 0, 0.0 -1,-0.2 0, 0.0 -5,-0.1 -0.225 54.7 -97.2 -61.8 148.6 -0.7 15.2 -18.7 108 26 C A > - 0 0 0 -7,-0.1 4,-2.0 1,-0.1 3,-0.5 -0.399 31.0-124.5 -58.9 139.7 3.1 15.0 -18.7 109 27 C Y H > S+ 0 0 16 -10,-2.1 4,-2.8 1,-0.2 54,-0.2 0.853 111.9 58.2 -60.5 -31.7 4.6 18.1 -20.4 110 28 C K H > S+ 0 0 88 -10,-2.1 4,-2.2 -11,-0.2 -1,-0.2 0.901 107.0 48.5 -64.2 -36.8 6.5 15.9 -22.9 111 29 C D H > S+ 0 0 73 -3,-0.5 4,-2.3 -11,-0.3 -2,-0.2 0.890 111.2 49.2 -69.1 -40.9 3.1 14.4 -24.0 112 30 C V H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.924 111.0 50.7 -60.2 -47.9 1.5 17.9 -24.3 113 31 C A H X S+ 0 0 7 -4,-2.8 4,-1.2 47,-0.3 -2,-0.2 0.910 113.1 44.8 -58.2 -45.0 4.5 19.0 -26.4 114 32 C A H < S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 113.0 52.1 -66.7 -38.4 4.2 16.0 -28.7 115 33 C K H < S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.873 119.4 33.8 -64.3 -39.2 0.5 16.4 -29.0 116 34 C F H >< S+ 0 0 18 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.2 0.495 84.0 135.5 -98.8 -5.5 0.7 20.1 -30.0 117 35 C A T 3< S- 0 0 69 -4,-1.2 3,-0.1 1,-0.3 -3,-0.1 -0.157 80.7 -5.1 -48.4 129.0 4.0 20.0 -32.0 118 36 C G T 3 S+ 0 0 94 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.623 93.3 135.2 58.8 20.3 3.7 21.9 -35.3 119 37 C Q X - 0 0 101 -3,-2.0 3,-1.6 1,-0.0 -1,-0.2 -0.885 64.2-101.4 -99.9 132.6 0.0 22.8 -35.0 120 38 C A T 3 S+ 0 0 109 -2,-0.5 -1,-0.0 1,-0.2 -3,-0.0 -0.177 101.3 6.6 -52.1 129.4 -0.9 26.4 -35.8 121 39 C G T 3> S+ 0 0 53 3,-0.1 4,-2.6 4,-0.0 -1,-0.2 0.590 82.5 141.5 76.5 15.4 -1.4 28.7 -32.8 122 40 C A H <> + 0 0 11 -3,-1.6 4,-3.0 1,-0.2 5,-0.2 0.895 68.4 49.3 -57.3 -48.9 -0.4 26.1 -30.3 123 41 C E H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.948 113.9 45.9 -57.7 -49.7 1.5 28.4 -27.9 124 42 C A H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.881 113.4 50.1 -59.0 -44.2 -1.4 30.9 -27.8 125 43 C E H X S+ 0 0 77 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.958 112.0 47.0 -60.6 -50.5 -4.0 28.0 -27.3 126 44 C L H X S+ 0 0 15 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.892 109.4 54.5 -59.3 -40.7 -1.9 26.5 -24.4 127 45 C A H X S+ 0 0 6 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.918 108.9 48.2 -59.2 -45.5 -1.5 30.0 -22.8 128 46 C Q H X S+ 0 0 100 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.899 112.4 49.3 -59.1 -43.0 -5.3 30.4 -22.8 129 47 C R H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.873 108.9 52.0 -65.9 -41.7 -5.8 26.9 -21.3 130 48 C I H < S+ 0 0 26 -4,-2.6 16,-0.9 -5,-0.2 -1,-0.2 0.918 118.0 38.1 -59.8 -44.5 -3.2 27.5 -18.6 131 49 C K H < S+ 0 0 69 -4,-2.1 15,-1.1 -5,-0.2 -2,-0.2 0.941 127.5 32.1 -72.4 -46.7 -4.9 30.8 -17.5 132 50 C N H < S- 0 0 94 -4,-2.9 -3,-0.2 13,-0.2 -2,-0.2 0.630 105.4-122.8 -94.6 -15.9 -8.5 29.8 -18.0 133 51 C G < - 0 0 12 -4,-2.3 2,-0.3 11,-0.3 -1,-0.2 -0.232 20.4-127.3 93.1 176.9 -8.4 26.1 -17.1 134 52 C S B -B 143 0B 24 9,-2.1 9,-3.5 -4,-0.1 2,-0.3 -0.984 19.5-179.4-163.9 140.3 -9.4 23.1 -19.2 135 53 C Q + 0 0 115 -2,-0.3 6,-0.1 7,-0.2 0, 0.0 -0.971 69.9 19.3-146.0 139.5 -11.6 20.0 -18.9 136 54 C G S S+ 0 0 59 3,-1.8 5,-0.0 5,-0.3 -2,-0.0 0.393 88.4 99.6 88.9 -3.5 -12.2 17.3 -21.4 137 55 C V S S+ 0 0 76 2,-0.2 -1,-0.0 1,-0.0 -3,-0.0 0.949 107.8 5.3 -74.5 -48.7 -9.2 17.8 -23.7 138 56 C W S S- 0 0 112 1,-0.3 -1,-0.0 3,-0.2 -3,-0.0 0.712 132.8 -37.8-106.1 -29.5 -7.2 14.9 -22.0 139 57 C G S S- 0 0 31 2,-0.2 -3,-1.8 1,-0.0 -1,-0.3 -0.957 72.0 -69.3-178.0-172.7 -9.7 13.4 -19.6 140 58 C P S S+ 0 0 98 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.696 94.8 99.0 -76.1 -17.7 -12.5 14.1 -17.1 141 59 C I S S- 0 0 61 -36,-0.1 -5,-0.3 -6,-0.1 -2,-0.2 -0.525 71.2-133.8 -73.9 127.2 -10.3 15.7 -14.5 142 60 C P - 0 0 36 0, 0.0 -7,-0.2 0, 0.0 -1,-0.1 -0.535 3.9-144.0 -79.5 144.9 -10.4 19.5 -14.7 143 61 C M B -B 134 0B 50 -9,-3.5 -9,-2.1 -2,-0.2 3,-0.1 -0.968 31.2-136.9 -93.3 116.1 -7.5 21.8 -14.7 144 62 C P - 0 0 51 0, 0.0 -11,-0.3 0, 0.0 -12,-0.0 -0.329 33.2 -77.7 -64.4 158.2 -8.8 24.7 -12.7 145 63 C P - 0 0 96 0, 0.0 2,-0.4 0, 0.0 -13,-0.2 -0.276 50.6-133.6 -47.5 137.4 -8.1 28.3 -13.8 146 64 C N - 0 0 44 -15,-1.1 2,-2.3 -16,-0.9 7,-0.1 -0.871 9.9-125.1-104.1 137.9 -4.5 29.4 -12.9 147 65 C A + 0 0 95 -2,-0.4 2,-0.3 -55,-0.2 -16,-0.1 -0.411 68.7 122.4 -78.3 66.2 -3.7 32.7 -11.2 148 66 C V - 0 0 7 -2,-2.3 -2,-0.1 -17,-0.1 2,-0.1 -0.926 60.0-116.0-126.0 153.7 -1.2 33.7 -13.9 149 67 C S > - 0 0 51 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.334 35.4-100.8 -80.0 167.2 -1.0 36.7 -16.2 150 68 C D H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.902 125.6 46.8 -53.5 -45.6 -1.1 36.6 -20.0 151 69 C D H > S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.897 112.7 48.3 -64.2 -43.8 2.7 36.9 -20.1 152 70 C E H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 110.4 52.2 -62.5 -44.4 3.3 34.3 -17.5 153 71 C A H X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.912 110.9 48.1 -58.1 -40.6 0.8 32.0 -19.3 154 72 C Q H X S+ 0 0 67 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.892 109.8 51.6 -69.5 -35.1 2.8 32.5 -22.5 155 73 C T H X S+ 0 0 59 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.925 114.6 43.7 -64.2 -43.1 6.2 31.8 -20.8 156 74 C L H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.908 112.1 53.2 -68.4 -44.5 4.8 28.6 -19.4 157 75 C A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.933 109.7 47.4 -59.7 -46.7 3.2 27.7 -22.7 158 76 C K H X S+ 0 0 111 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.911 113.3 49.2 -59.3 -41.4 6.5 28.1 -24.7 159 77 C W H >< S+ 0 0 27 -4,-1.7 3,-0.8 -5,-0.2 4,-0.5 0.935 110.1 49.7 -68.6 -44.9 8.4 26.1 -22.1 160 78 C V H >< S+ 0 0 10 -4,-2.9 3,-1.8 1,-0.2 -47,-0.3 0.945 109.7 52.2 -55.3 -49.0 5.9 23.2 -22.1 161 79 C L H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.684 105.7 56.1 -63.4 -18.4 6.0 23.1 -25.9 162 80 C S T << S+ 0 0 67 -4,-0.9 2,-0.7 -3,-0.8 -1,-0.3 0.500 71.6 121.9 -93.2 -6.0 9.8 22.9 -25.8 163 81 C Q < 0 0 36 -3,-1.8 -49,-0.1 -4,-0.5 -50,-0.1 -0.455 360.0 360.0 -65.6 104.1 9.8 19.8 -23.6 164 82 C K 0 0 261 -2,-0.7 -1,-0.2 -51,-0.1 -50,-0.0 0.969 360.0 360.0 -85.4 360.0 11.7 17.4 -25.8