==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JUL-08 3DR7 . COMPND 2 MOLECULE: PUTATIVE PEROSAMINE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER CRESCENTUS; . AUTHOR H.M.HOLDEN,P.D.COOK,A.E.CARNEY . 1469 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1047 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 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 . 102 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 441 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 0 0 4 4 8 12 4 0 8 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 8 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 0 PARALLEL BRIDGES PER LADDER . 9 12 0 5 7 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 . 4 0 8 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 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 4 A L 0 0 171 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.8 -28.0 1.2 63.5 2 5 A P - 0 0 103 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.283 360.0-106.5 -70.6 148.9 -24.8 2.9 62.5 3 6 A R - 0 0 117 306,-0.1 2,-0.6 1,-0.0 306,-0.2 -0.535 19.7-131.1 -80.6 143.4 -23.4 2.1 59.2 4 7 A I B -a 309 0A 6 304,-2.0 306,-2.9 -2,-0.2 2,-0.2 -0.884 26.6-149.5 -92.6 123.3 -20.4 -0.0 58.7 5 8 A S - 0 0 51 -2,-0.6 3,-0.1 304,-0.2 342,-0.1 -0.645 18.6-125.4 -93.8 152.6 -17.9 1.8 56.4 6 9 A V S S- 0 0 9 -2,-0.2 341,-2.8 340,-0.2 2,-0.3 0.876 90.8 -1.8 -65.7 -32.8 -15.6 -0.1 54.1 7 10 A A + 0 0 17 339,-0.2 -1,-0.1 304,-0.1 341,-0.1 -0.938 61.6 175.5-154.7 167.4 -12.7 1.8 55.6 8 11 A A - 0 0 36 -2,-0.3 341,-0.4 339,-0.2 342,-0.2 -0.895 35.2-106.7-176.3 141.1 -11.8 4.5 58.1 9 12 A P - 0 0 29 0, 0.0 2,-0.7 0, 0.0 175,-0.1 -0.492 25.1-148.6 -71.8 145.0 -8.7 6.1 59.5 10 13 A R - 0 0 109 -2,-0.1 2,-1.9 339,-0.0 176,-0.1 -0.865 15.1-176.5-115.6 91.6 -8.0 5.1 63.1 11 14 A L + 0 0 38 -2,-0.7 5,-0.2 1,-0.2 229,-0.0 -0.382 32.0 136.6 -88.1 65.0 -6.4 8.1 64.6 12 15 A D + 0 0 58 -2,-1.9 -1,-0.2 3,-0.1 2,-0.1 0.069 55.4 55.5-104.2 29.1 -5.7 6.5 67.9 13 16 A G S S- 0 0 27 -3,-0.1 3,-0.4 0, 0.0 4,-0.2 -0.094 111.4 -48.1-126.1-137.0 -2.2 7.8 68.4 14 17 A N S > S+ 0 0 75 1,-0.2 4,-3.0 225,-0.2 5,-0.3 0.175 89.6 113.8 -92.8 15.4 -0.3 11.1 68.6 15 18 A E H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 78.8 46.4 -51.1 -51.9 -1.8 12.5 65.4 16 19 A R H > S+ 0 0 106 -3,-0.4 4,-2.8 -5,-0.2 -1,-0.2 0.913 114.3 48.2 -59.8 -45.1 -3.7 15.3 67.2 17 20 A D H > S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.936 113.5 44.9 -62.8 -48.7 -0.7 16.2 69.3 18 21 A Y H X S+ 0 0 35 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.877 113.9 51.1 -62.7 -42.1 1.7 16.3 66.4 19 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.928 108.9 49.5 -65.3 -42.4 -0.7 18.3 64.3 20 23 A L H X S+ 0 0 21 -4,-2.8 4,-3.7 1,-0.2 5,-0.3 0.880 106.5 58.8 -62.3 -34.2 -1.3 20.8 67.2 21 24 A E H X S+ 0 0 85 -4,-2.1 4,-2.1 -5,-0.2 6,-0.3 0.946 104.5 49.0 -57.3 -47.6 2.5 21.1 67.3 22 25 A C H X>S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 5,-0.8 0.920 114.0 47.1 -58.3 -44.4 2.5 22.2 63.7 23 26 A M H ><5S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.944 113.0 47.4 -62.5 -49.6 -0.2 24.7 64.4 24 27 A D H 3<5S+ 0 0 94 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.772 115.3 44.8 -64.8 -29.0 1.5 26.1 67.5 25 28 A T H 3<5S- 0 0 53 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.573 106.7-127.8 -90.9 -5.7 4.8 26.4 65.9 26 29 A T T <<5 + 0 0 59 -3,-0.9 2,-1.3 -4,-0.9 3,-0.3 0.410 69.3 128.1 71.3 6.9 3.2 27.9 62.7 27 30 A W < + 0 0 128 -5,-0.8 -1,-0.2 -6,-0.3 -2,-0.1 -0.690 17.6 132.9 -94.0 93.0 4.9 25.4 60.5 28 31 A I + 0 0 3 -2,-1.3 204,-0.5 203,-0.1 205,-0.2 0.505 49.3 76.3-117.4 -8.9 2.0 24.2 58.4 29 32 A S S S- 0 0 8 2,-0.4 202,-2.7 -3,-0.3 203,-0.2 0.111 109.7 -71.4 -85.5-155.6 3.3 24.3 54.8 30 33 A S S S+ 0 0 16 526,-0.4 2,-0.5 200,-0.3 199,-0.1 0.323 115.1 86.9 -85.3 12.3 5.8 22.0 53.1 31 34 A V + 0 0 71 525,-0.1 -2,-0.4 4,-0.0 2,-0.2 -0.959 63.0 89.7-112.1 123.2 8.4 23.5 55.4 32 35 A G S >> S- 0 0 22 -2,-0.5 3,-0.5 -4,-0.1 4,-0.5 -0.830 77.0 -98.4 160.3 161.3 8.7 21.8 58.8 33 36 A R H 3> S+ 0 0 178 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.624 104.0 71.8 -76.2 -22.6 10.5 19.0 60.7 34 37 A F H 3> S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.793 89.5 65.3 -69.2 -24.7 7.9 16.2 60.5 35 38 A I H <> S+ 0 0 17 -3,-0.5 4,-2.7 2,-0.2 5,-0.2 0.981 107.9 35.8 -61.4 -55.5 8.6 15.8 56.9 36 39 A V H X S+ 0 0 63 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.905 117.9 55.3 -63.4 -38.6 12.2 14.6 57.2 37 40 A E H X S+ 0 0 97 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.929 110.5 43.7 -61.6 -44.4 11.2 12.7 60.4 38 41 A F H X S+ 0 0 0 -4,-3.2 4,-2.9 2,-0.2 5,-0.3 0.922 111.8 53.1 -68.0 -43.7 8.4 10.8 58.7 39 42 A E H X S+ 0 0 13 -4,-2.7 4,-3.1 -5,-0.3 -1,-0.2 0.940 111.4 47.8 -58.1 -44.0 10.5 10.0 55.6 40 43 A K H X S+ 0 0 130 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.920 111.9 46.7 -65.8 -41.8 13.2 8.6 57.9 41 44 A A H X S+ 0 0 30 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.919 115.5 48.4 -63.4 -42.9 10.9 6.5 60.0 42 45 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.923 109.1 50.4 -65.6 -45.5 9.3 5.2 56.8 43 46 A A H X>S+ 0 0 4 -4,-3.1 5,-2.6 -5,-0.3 4,-1.0 0.943 113.4 47.6 -57.1 -44.0 12.5 4.4 55.1 44 47 A D H ><5S+ 0 0 117 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.946 109.2 54.2 -62.6 -45.3 13.6 2.5 58.2 45 48 A Y H 3<5S+ 0 0 35 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.886 113.7 40.5 -54.9 -42.7 10.3 0.7 58.3 46 49 A C H 3<5S- 0 0 2 -4,-2.3 121,-0.5 -5,-0.1 -1,-0.3 0.577 111.0-121.5 -83.4 -5.7 10.7 -0.4 54.7 47 50 A G T <<5S+ 0 0 61 -3,-1.0 2,-0.3 -4,-1.0 -3,-0.2 0.785 70.2 124.4 72.4 31.7 14.3 -1.2 55.2 48 51 A V < - 0 0 11 -5,-2.6 -1,-0.3 -6,-0.2 148,-0.2 -0.766 66.8-122.6-122.4 167.1 15.5 1.2 52.4 49 52 A K S S+ 0 0 117 -2,-0.3 2,-0.4 1,-0.1 147,-0.2 0.797 88.3 33.8 -77.4 -35.8 17.8 4.1 52.2 50 53 A H E -B 195 0B 33 145,-2.1 145,-2.1 -7,-0.1 2,-0.4 -0.981 50.6-178.5-131.1 146.2 15.5 6.9 51.0 51 54 A A E -B 194 0B 2 -2,-0.4 2,-0.6 143,-0.2 143,-0.2 -0.997 11.7-161.3-136.3 127.3 11.9 7.8 51.4 52 55 A I E -B 193 0B 0 141,-3.1 141,-1.5 -2,-0.4 2,-0.1 -0.913 13.9-142.5-119.7 103.6 10.5 10.9 49.5 53 56 A A E +B 192 0B 0 -2,-0.6 176,-0.5 139,-0.2 2,-0.3 -0.414 25.7 178.8 -62.5 133.3 7.2 12.3 50.9 54 57 A C E -BC 191 228B 0 137,-2.2 137,-2.6 174,-0.2 174,-0.2 -0.833 42.5-101.3-135.7 165.8 4.7 13.6 48.3 55 58 A N S S- 0 0 8 172,-1.8 2,-0.2 -2,-0.3 173,-0.1 0.559 96.2 -14.8 -73.1 -7.2 1.2 15.0 48.3 56 59 A N S > S- 0 0 0 171,-0.2 4,-1.7 133,-0.1 135,-0.4 -0.907 70.7 -99.1-177.6 165.7 -0.6 11.8 47.3 57 60 A G H > S+ 0 0 1 133,-0.5 4,-1.8 -2,-0.2 5,-0.1 0.668 116.8 59.9 -74.8 -12.1 0.2 8.4 45.8 58 61 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.964 109.9 40.6 -78.5 -48.0 -0.8 9.4 42.3 59 62 A T H > S+ 0 0 3 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.829 110.2 60.2 -68.6 -29.4 1.8 12.1 42.2 60 63 A A H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.976 108.4 46.2 -56.8 -47.9 4.2 9.8 43.9 61 64 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.947 113.3 46.1 -60.2 -50.7 3.7 7.5 40.9 62 65 A H H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.962 113.8 50.8 -57.3 -44.0 4.1 10.3 38.4 63 66 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.917 108.3 50.3 -58.8 -47.5 7.2 11.6 40.2 64 67 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.921 112.1 48.1 -60.4 -44.8 8.9 8.3 40.3 65 68 A L H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 -1,-0.2 0.889 111.7 47.1 -68.2 -36.7 8.3 7.7 36.6 66 69 A V H ><5S+ 0 0 32 -4,-2.7 3,-1.5 -5,-0.2 -1,-0.2 0.931 112.8 51.8 -69.4 -37.0 9.6 11.0 35.5 67 70 A A H 3<5S+ 0 0 11 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.823 107.3 51.5 -67.2 -32.5 12.6 10.5 37.8 68 71 A M T 3<5S- 0 0 25 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.385 122.5-110.5 -80.7 0.4 13.3 7.1 36.2 69 72 A G T < 5 + 0 0 53 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.684 57.3 164.3 77.6 24.6 13.1 8.9 32.8 70 73 A I < + 0 0 9 -5,-3.0 -1,-0.2 -6,-0.2 25,-0.1 -0.560 19.8 141.2 -72.6 131.3 9.9 7.4 31.5 71 74 A G > - 0 0 10 -2,-0.2 3,-2.4 23,-0.1 25,-0.3 -0.879 46.6 -25.0-155.0-168.1 8.7 9.4 28.6 72 75 A P T 3 S+ 0 0 112 0, 0.0 23,-0.2 0, 0.0 3,-0.1 -0.172 123.3 18.4 -52.4 132.1 7.1 9.7 25.2 73 76 A G T 3 S+ 0 0 50 21,-1.0 2,-0.3 1,-0.4 22,-0.1 0.528 98.0 117.7 85.6 2.7 7.5 6.5 23.2 74 77 A D < - 0 0 21 -3,-2.4 22,-2.9 20,-0.1 2,-0.4 -0.758 54.2-143.2 -99.9 154.1 8.3 4.4 26.3 75 78 A E E -gh 96 122C 4 46,-2.2 48,-2.8 -2,-0.3 49,-0.9 -0.896 11.6-169.5-114.9 144.5 6.2 1.5 27.3 76 79 A V E -gh 97 124C 0 20,-1.8 22,-2.1 -2,-0.4 2,-0.5 -0.991 22.7-130.7-130.8 120.6 5.5 0.5 30.9 77 80 A I E +gh 98 125C 0 47,-2.3 49,-3.4 -2,-0.4 22,-0.2 -0.682 34.5 172.1 -78.3 125.0 3.8 -2.8 31.6 78 81 A V E -g 99 0C 0 20,-1.8 22,-1.8 -2,-0.5 2,-0.1 -0.962 36.5-109.9-129.4 139.6 0.9 -2.3 34.0 79 82 A P E -g 100 0C 3 0, 0.0 22,-0.2 0, 0.0 239,-0.2 -0.501 19.4-137.2 -67.7 145.1 -1.7 -4.9 35.1 80 83 A S S S+ 0 0 0 20,-2.3 238,-2.2 1,-0.2 2,-1.2 0.911 95.2 70.7 -68.7 -35.3 -5.2 -4.1 33.7 81 84 A L S S+ 0 0 1 19,-0.5 2,-0.3 236,-0.2 -1,-0.2 -0.642 81.2 86.7 -82.7 96.5 -6.7 -4.9 37.1 82 85 A T S S- 0 0 1 -2,-1.2 2,-0.3 234,-0.3 236,-0.1 -0.971 87.1 -65.9-170.0 177.4 -5.6 -2.0 39.3 83 86 A Y > - 0 0 28 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.595 53.1-114.7 -79.3 142.2 -6.6 1.4 40.4 84 87 A I T >> S+ 0 0 1 1,-0.3 4,-3.3 -2,-0.3 3,-0.9 0.746 107.9 73.6 -51.8 -30.9 -6.5 3.9 37.5 85 88 A A H 3> S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.880 88.8 65.3 -52.5 -34.8 -3.6 6.0 38.9 86 89 A S H <> S+ 0 0 0 -3,-1.8 4,-0.6 1,-0.2 -1,-0.3 0.922 113.9 27.9 -51.7 -51.8 -1.4 3.1 38.0 87 90 A A H X> S+ 0 0 0 -3,-0.9 4,-1.8 -4,-0.4 3,-0.5 0.887 117.2 59.0 -82.6 -35.7 -2.0 3.6 34.3 88 91 A N H 3X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.809 98.7 60.7 -59.7 -39.1 -2.7 7.3 34.4 89 92 A S H 3X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.899 106.0 46.4 -59.1 -37.9 0.7 8.0 35.9 90 93 A V H <<>S+ 0 0 0 -4,-0.6 5,-1.8 -3,-0.5 4,-0.4 0.878 111.0 53.2 -65.3 -45.2 2.4 6.5 32.8 91 94 A T H ><5S+ 0 0 46 -4,-1.8 3,-2.1 1,-0.2 -2,-0.2 0.895 100.1 60.3 -58.1 -39.2 0.1 8.5 30.6 92 95 A Y H 3<5S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.848 103.4 53.9 -58.3 -37.4 1.1 11.7 32.4 93 96 A C T 3<5S- 0 0 15 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.649 117.2-115.3 -71.3 -14.8 4.6 10.9 31.2 94 97 A G T < 5S+ 0 0 42 -3,-2.1 -21,-1.0 -4,-0.4 -3,-0.2 0.446 77.6 129.7 86.9 7.8 3.4 10.6 27.5 95 98 A A < - 0 0 7 -5,-1.8 -1,-0.4 -23,-0.2 -20,-0.2 -0.397 60.1-115.3 -90.2 170.1 4.4 7.0 27.8 96 99 A T E -g 75 0C 44 -22,-2.9 -20,-1.8 -25,-0.3 2,-0.2 -0.915 18.6-137.4-109.5 123.4 2.2 4.0 26.8 97 100 A P E -g 76 0C 5 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.559 9.8-155.0 -74.9 151.9 0.9 1.4 29.2 98 101 A V E -g 77 0C 13 -22,-2.1 -20,-1.8 -2,-0.2 2,-0.1 -0.965 20.9-135.9-130.2 106.8 1.0 -2.2 28.1 99 102 A L E -g 78 0C 7 -2,-0.5 2,-0.3 228,-0.3 -22,-0.1 -0.365 21.4-172.3 -70.4 141.1 -1.6 -4.1 29.9 100 103 A V E -g 79 0C 2 -22,-1.8 -20,-2.3 -2,-0.1 -19,-0.5 -0.945 22.3-113.1-129.6 153.7 -1.0 -7.5 31.5 101 104 A D - 0 0 1 230,-0.3 9,-2.8 -2,-0.3 2,-0.2 -0.373 28.0-132.8 -82.5 163.5 -3.3 -10.0 33.1 102 105 A N B -J 109 0D 0 7,-0.3 7,-0.3 -2,-0.1 232,-0.1 -0.653 25.5 -89.7-110.7 163.5 -3.4 -11.0 36.7 103 106 A D > - 0 0 44 5,-3.6 4,-2.0 -2,-0.2 5,-0.1 -0.577 33.7-133.5 -71.3 137.7 -3.5 -14.3 38.7 104 107 A P T 4 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.581 100.1 38.4 -70.2 -15.7 -7.0 -15.3 39.5 105 108 A R T 4 S+ 0 0 143 3,-0.1 168,-0.8 167,-0.1 -2,-0.0 0.794 126.1 31.5-103.3 -43.2 -6.4 -16.1 43.1 106 109 A T T 4 S- 0 0 23 2,-0.2 27,-0.1 166,-0.1 3,-0.1 0.591 92.7-135.1 -90.9 -14.2 -4.1 -13.3 44.2 107 110 A F < + 0 0 9 -4,-2.0 2,-0.2 1,-0.2 3,-0.1 0.523 63.1 133.0 73.0 1.5 -5.5 -10.7 41.8 108 111 A N - 0 0 3 1,-0.2 -5,-3.6 -5,-0.1 -1,-0.2 -0.610 69.2 -70.2-100.4 151.7 -1.9 -9.9 41.0 109 112 A L B -J 102 0D 7 19,-0.4 2,-1.2 -7,-0.3 27,-0.4 -0.003 49.4-128.8 -30.3 121.5 0.3 -9.4 38.0 110 113 A D > - 0 0 40 -9,-2.8 3,-2.9 1,-0.2 4,-0.4 -0.656 19.3-165.2 -85.3 95.6 0.7 -12.7 36.3 111 114 A A G >> S+ 0 0 17 -2,-1.2 3,-0.9 1,-0.3 4,-0.6 0.730 84.8 64.9 -54.9 -26.6 4.5 -13.0 35.9 112 115 A A G 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.557 101.7 50.0 -73.4 -9.0 4.1 -15.8 33.4 113 116 A K G <4 S+ 0 0 57 -3,-2.9 4,-0.3 -12,-0.2 -1,-0.2 0.348 94.7 81.9-104.8 2.1 2.4 -13.4 31.0 114 117 A L T X4 S+ 0 0 0 -3,-0.9 3,-2.2 -4,-0.4 4,-0.4 0.953 77.8 56.0 -73.4 -52.0 5.1 -10.8 31.3 115 118 A E G >< S+ 0 0 71 -4,-0.6 3,-1.6 1,-0.3 -1,-0.2 0.840 101.7 59.3 -54.4 -42.9 7.9 -11.8 29.0 116 119 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.643 99.8 57.1 -60.0 -21.5 5.7 -12.0 26.0 117 120 A L G < S+ 0 0 46 -3,-2.2 2,-0.3 -4,-0.3 -1,-0.3 0.405 81.0 111.7 -91.5 -1.1 4.7 -8.3 26.3 118 121 A I < + 0 0 31 -3,-1.6 -3,-0.0 -4,-0.4 -4,-0.0 -0.591 39.8 161.3 -79.3 134.5 8.3 -7.0 26.2 119 122 A T > - 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