==== 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 ISOMERASE 14-OCT-05 2BA9 . COMPND 2 MOLECULE: PUTATIVE AMINOOXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROPIONIBACTERIUM ACNES; . AUTHOR M.G.RUDOPLH,A.LIAVONCHANKA . 423 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 302 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 13.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 33 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 2 1 0 4 0 1 1 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 3 3 0 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 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 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 2 A S 0 0 113 0, 0.0 2,-0.3 0, 0.0 421,-0.2 0.000 360.0 360.0 360.0 2.3 -53.7 8.3 3.0 2 3 A I - 0 0 34 420,-1.4 2,-0.2 419,-0.2 246,-0.0 -0.770 360.0-110.8 -97.1 145.7 -56.1 8.7 0.0 3 4 A S > - 0 0 65 -2,-0.3 3,-1.7 1,-0.1 420,-0.0 -0.514 18.8-129.0 -73.0 144.1 -59.9 8.0 0.4 4 5 A K T 3 S+ 0 0 103 1,-0.3 27,-0.5 -2,-0.2 26,-0.4 0.699 108.5 63.8 -69.0 -20.8 -61.2 5.0 -1.5 5 6 A D T 3 S+ 0 0 121 24,-0.1 -1,-0.3 25,-0.1 2,-0.3 0.276 78.3 124.2 -82.1 9.4 -63.9 7.1 -3.0 6 7 A S < - 0 0 14 -3,-1.7 2,-0.7 241,-0.1 25,-0.4 -0.557 64.6-132.6 -71.1 132.6 -61.2 9.1 -4.8 7 8 A R - 0 0 79 -2,-0.3 241,-2.3 23,-0.1 240,-2.2 -0.833 29.4-163.5 -82.9 115.6 -61.5 9.2 -8.5 8 9 A I E -ab 32 248A 2 23,-2.6 25,-2.5 -2,-0.7 2,-0.6 -0.904 11.3-158.1-113.4 126.6 -58.0 8.3 -9.7 9 10 A A E -ab 33 249A 2 239,-2.8 241,-2.9 -2,-0.5 2,-0.6 -0.923 6.9-163.6-105.3 118.1 -56.8 9.0 -13.3 10 11 A I E -ab 34 250A 0 23,-3.8 25,-3.6 -2,-0.6 2,-0.5 -0.911 8.1-150.9-100.8 119.6 -53.9 6.9 -14.4 11 12 A I E +ab 35 251A 6 239,-2.9 241,-1.8 -2,-0.6 25,-0.2 -0.839 64.4 28.8 -95.8 126.6 -52.0 8.2 -17.4 12 13 A G - 0 0 7 23,-3.0 24,-0.2 -2,-0.5 23,-0.1 0.406 59.6-142.7 98.4 125.8 -50.4 5.5 -19.6 13 14 A A + 0 0 0 27,-0.2 29,-2.2 4,-0.2 30,-0.3 -0.276 63.4 113.0-111.6 44.4 -51.5 1.8 -20.1 14 15 A G S > S- 0 0 13 28,-0.2 4,-2.7 27,-0.2 3,-0.3 -0.301 95.2 -69.3 -88.4-173.7 -48.0 0.3 -20.3 15 16 A P H > S+ 0 0 15 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.851 135.7 51.2 -45.5 -42.9 -46.8 -2.0 -17.5 16 17 A A H > S+ 0 0 8 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.896 114.0 41.8 -67.2 -43.1 -46.6 0.8 -15.0 17 18 A G H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.931 116.1 48.2 -68.7 -48.0 -50.1 2.1 -15.6 18 19 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.864 113.4 48.3 -61.3 -37.8 -51.7 -1.3 -15.7 19 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 5,-0.3 0.850 107.4 55.3 -70.1 -37.0 -49.9 -2.3 -12.5 20 21 A A H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.933 110.9 45.9 -60.8 -44.9 -51.0 0.9 -10.8 21 22 A G H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.951 112.1 50.6 -60.4 -53.5 -54.5 -0.1 -11.7 22 23 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 115.5 41.2 -48.2 -50.7 -54.1 -3.7 -10.5 23 24 A Y H X S+ 0 0 16 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.776 113.5 51.6 -81.4 -25.8 -52.6 -2.7 -7.1 24 25 A L H >X>S+ 0 0 3 -4,-2.1 5,-2.6 -5,-0.3 3,-0.6 0.951 111.0 49.7 -66.8 -50.4 -55.0 0.1 -6.5 25 26 A E H ><5S+ 0 0 30 -4,-2.9 3,-1.8 1,-0.2 -2,-0.2 0.932 110.4 50.3 -49.7 -51.8 -57.9 -2.2 -7.2 26 27 A Q H 3<5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.731 106.7 54.5 -64.6 -25.1 -56.5 -4.8 -4.8 27 28 A A H <<5S- 0 0 28 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.448 128.7 -96.3 -84.8 -4.0 -56.1 -2.2 -2.0 28 29 A G T <<5S+ 0 0 21 -3,-1.8 2,-0.9 -4,-0.5 -3,-0.2 0.621 83.0 133.3 98.1 16.2 -59.8 -1.3 -2.4 29 30 A F < + 0 0 0 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.833 19.9 162.6 -97.5 97.6 -59.5 1.7 -4.7 30 31 A H + 0 0 95 -2,-0.9 2,-0.7 -26,-0.4 -1,-0.1 0.487 53.3 77.2 -98.5 -7.0 -62.2 0.9 -7.3 31 32 A D + 0 0 72 -27,-0.5 -23,-2.6 -25,-0.4 2,-0.3 -0.549 66.0 128.8-104.9 65.4 -62.8 4.3 -8.9 32 33 A Y E -a 8 0A 1 -2,-0.7 2,-0.4 -25,-0.2 -23,-0.2 -0.861 38.3-163.5-115.3 153.3 -59.7 4.4 -11.1 33 34 A T E -a 9 0A 51 -25,-2.5 -23,-3.8 -2,-0.3 2,-0.5 -0.993 8.4-150.5-135.5 130.0 -59.5 5.2 -14.9 34 35 A I E -a 10 0A 0 -2,-0.4 186,-3.1 184,-0.3 2,-0.6 -0.904 11.0-157.1-101.6 126.1 -56.5 4.4 -17.0 35 36 A L E -ac 11 220A 6 -25,-3.6 -23,-3.0 -2,-0.5 2,-0.4 -0.900 10.6-175.1-112.0 115.3 -56.0 6.7 -20.0 36 37 A E - 0 0 20 184,-3.0 187,-2.5 -2,-0.6 5,-0.0 -0.923 19.9-154.1-115.4 132.0 -53.9 5.4 -23.0 37 38 A R S S+ 0 0 203 -2,-0.4 -1,-0.1 185,-0.2 184,-0.1 0.881 77.8 53.3 -70.2 -43.0 -52.9 7.5 -26.0 38 39 A T S S- 0 0 48 2,-0.3 184,-2.8 184,-0.1 185,-0.3 -0.112 93.5-105.0 -87.0-175.4 -52.6 4.6 -28.5 39 40 A D S S+ 0 0 96 182,-0.2 2,-0.3 183,-0.1 182,-0.1 0.159 96.4 58.6 -94.0 17.1 -55.1 1.8 -29.5 40 41 A H - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -2,-0.3 -0.933 68.6-132.6-149.5 164.1 -53.1 -0.7 -27.5 41 42 A V S S+ 0 0 2 -2,-0.3 -27,-0.2 1,-0.1 168,-0.1 -0.885 73.9 59.4-123.1 148.9 -51.8 -1.7 -24.1 42 43 A G S > S- 0 0 0 -29,-2.2 3,-2.5 -2,-0.3 -28,-0.2 0.115 70.0-153.4 121.1 -18.5 -48.3 -2.9 -23.0 43 44 A G T 3 S+ 0 0 26 -30,-0.3 162,-0.1 1,-0.3 -29,-0.0 -0.323 80.8 4.7 51.0-113.1 -46.3 0.1 -24.1 44 45 A K T 3 S+ 0 0 51 -2,-0.2 15,-2.1 1,-0.1 2,-1.0 0.410 114.3 85.9 -89.3 0.8 -42.7 -1.1 -24.8 45 46 A C < + 0 0 2 -3,-2.5 2,-0.5 13,-0.2 -1,-0.1 -0.890 68.5 160.3 -87.2 95.1 -43.8 -4.7 -24.1 46 47 A H + 0 0 27 -2,-1.0 11,-2.9 13,-0.2 12,-1.0 -0.951 20.9 173.5-137.1 110.8 -44.9 -4.9 -27.8 47 48 A S - 0 0 0 -2,-0.5 9,-0.2 9,-0.2 -2,-0.0 -0.775 9.7-175.5-127.8 82.7 -45.3 -8.2 -29.5 48 49 A P - 0 0 25 0, 0.0 7,-2.7 0, 0.0 2,-0.3 -0.257 25.8-104.2 -77.1 169.7 -46.8 -8.1 -33.1 49 50 A N E +E 54 0B 117 5,-0.2 2,-0.3 3,-0.0 5,-0.2 -0.628 34.7 167.6 -97.9 147.4 -47.7 -11.0 -35.3 50 51 A Y E > S-E 53 0B 52 3,-2.9 3,-1.2 -2,-0.3 273,-0.1 -0.840 71.8 -15.2-157.2 124.2 -45.9 -12.5 -38.3 51 52 A H T 3 S- 0 0 125 -2,-0.3 3,-0.1 1,-0.2 271,-0.0 0.903 128.3 -46.5 47.4 53.3 -46.7 -15.8 -40.0 52 53 A G T 3 S+ 0 0 80 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.447 125.0 76.7 80.9 0.9 -48.8 -17.2 -37.1 53 54 A R E < S-E 50 0B 66 -3,-1.2 -3,-2.9 263,-0.0 2,-0.4 -0.939 76.0-113.1-141.8 160.0 -46.4 -16.3 -34.2 54 55 A R E -E 49 0B 26 147,-0.5 -5,-0.2 -2,-0.3 2,-0.2 -0.785 22.9-164.7-100.7 138.9 -45.5 -13.2 -32.3 55 56 A Y - 0 0 12 -7,-2.7 2,-0.6 -2,-0.4 3,-0.1 -0.704 25.2-109.2-111.5 169.7 -42.1 -11.4 -32.4 56 57 A E + 0 0 1 -2,-0.2 -9,-0.2 -9,-0.2 4,-0.1 -0.884 31.0 170.9-108.2 119.8 -40.8 -8.8 -30.0 57 58 A M S S+ 0 0 0 -11,-2.9 -10,-0.2 -2,-0.6 -1,-0.1 0.523 83.6 10.3 -90.7 -12.6 -40.4 -5.2 -31.0 58 59 A G S S+ 0 0 14 -12,-1.0 -13,-0.2 1,-0.4 -2,-0.1 -0.185 116.0 14.8-131.3-136.0 -39.7 -4.4 -27.3 59 60 A A + 0 0 29 -15,-2.1 145,-0.5 1,-0.1 -1,-0.4 -0.105 48.7 171.6 -45.9 140.8 -39.1 -6.3 -24.1 60 61 A I + 0 0 19 1,-0.2 140,-0.5 143,-0.1 2,-0.2 0.657 50.7 28.2-115.9 -44.6 -38.2 -9.9 -24.4 61 62 A M - 0 0 15 138,-0.1 2,-0.2 143,-0.0 138,-0.2 -0.734 41.3-174.6-132.6 165.7 -37.1 -11.3 -21.1 62 63 A G B -F 198 0C 1 136,-1.3 136,-2.5 -2,-0.2 0, 0.0 -0.815 24.6-121.6-140.0-176.5 -37.1 -11.3 -17.3 63 64 A V > - 0 0 0 -2,-0.2 3,-2.0 134,-0.2 134,-0.2 -0.856 35.1-100.5-126.8 164.0 -35.3 -13.2 -14.5 64 65 A P T 3 S+ 0 0 49 0, 0.0 133,-0.1 0, 0.0 6,-0.1 0.673 118.4 67.4 -59.7 -20.5 -36.6 -15.4 -11.6 65 66 A S T 3 + 0 0 43 1,-0.1 2,-2.1 122,-0.1 3,-0.3 0.240 65.2 111.5 -82.0 11.7 -36.3 -12.4 -9.2 66 67 A Y <> + 0 0 14 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 -0.403 40.1 162.9 -80.1 64.3 -39.1 -10.6 -11.2 67 68 A D H > + 0 0 112 -2,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 68.1 47.7 -56.6 -44.8 -41.3 -11.0 -8.1 68 69 A T H > S+ 0 0 5 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.919 110.8 51.4 -67.1 -41.6 -43.9 -8.4 -9.1 69 70 A I H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.887 106.7 55.6 -61.5 -35.8 -44.2 -9.8 -12.6 70 71 A Q H X S+ 0 0 75 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.917 105.9 50.9 -59.8 -42.7 -44.8 -13.2 -11.0 71 72 A E H X S+ 0 0 71 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.854 109.1 51.8 -59.9 -36.9 -47.7 -11.6 -9.1 72 73 A I H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.921 108.8 49.1 -66.2 -46.6 -49.0 -10.3 -12.4 73 74 A M H X>S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 5,-0.6 0.843 106.1 57.6 -61.7 -35.5 -48.9 -13.8 -14.0 74 75 A D H <5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.896 109.7 45.9 -59.6 -40.6 -50.7 -15.3 -11.0 75 76 A R H <5S+ 0 0 64 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.839 121.3 35.6 -71.0 -34.9 -53.5 -12.9 -11.7 76 77 A T H <5S- 0 0 28 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.681 101.2-122.3 -96.4 -20.8 -53.7 -13.5 -15.5 77 78 A G T <5 + 0 0 48 -4,-2.6 -3,-0.2 1,-0.3 -4,-0.1 0.473 60.4 147.9 87.7 5.6 -52.9 -17.2 -15.6 78 79 A D < - 0 0 29 -5,-0.6 2,-0.3 -6,-0.2 -1,-0.3 -0.354 30.6-155.7 -75.7 154.6 -49.9 -16.6 -17.9 79 80 A K - 0 0 142 -3,-0.1 2,-1.1 -2,-0.1 128,-0.0 -0.925 29.5-105.4-129.0 153.4 -46.8 -18.8 -17.8 80 81 A V + 0 0 61 -2,-0.3 120,-0.2 1,-0.2 -2,-0.0 -0.701 64.9 140.5 -73.8 100.5 -43.1 -18.4 -18.6 81 82 A D + 0 0 87 -2,-1.1 119,-0.3 118,-0.4 -1,-0.2 0.166 21.7 122.5-136.9 18.7 -43.4 -20.5 -21.8 82 83 A G S S- 0 0 21 117,-2.4 117,-0.1 1,-0.2 119,-0.1 -0.190 71.3 -74.2 -82.1 173.4 -41.2 -18.8 -24.5 83 84 A P - 0 0 35 0, 0.0 -1,-0.2 0, 0.0 117,-0.1 -0.434 58.5 -98.5 -70.1 143.4 -38.2 -20.3 -26.4 84 85 A K - 0 0 167 -2,-0.1 2,-0.3 1,-0.1 114,-0.1 -0.258 38.2-125.8 -61.4 142.7 -35.0 -20.7 -24.4 85 86 A L + 0 0 26 112,-0.3 2,-0.3 110,-0.2 112,-0.1 -0.725 36.4 159.6 -92.2 139.7 -32.4 -17.9 -24.9 86 87 A R - 0 0 168 -2,-0.3 208,-1.5 228,-0.2 2,-0.3 -0.972 12.1-171.8-154.9 159.3 -28.8 -18.4 -25.9 87 88 A R E -g 294 0D 94 -2,-0.3 2,-0.3 206,-0.2 208,-0.2 -0.917 15.5-152.5-147.3 160.8 -26.1 -16.3 -27.4 88 89 A E E -g 295 0D 40 206,-1.7 208,-2.6 -2,-0.3 2,-0.4 -0.848 27.3-115.7-128.0 174.7 -22.7 -16.0 -28.9 89 90 A F E -gH 296 97D 11 8,-0.6 8,-2.6 -2,-0.3 2,-0.3 -0.954 28.1-171.3-120.8 133.7 -20.2 -13.2 -29.0 90 91 A L E - H 0 96D 2 206,-3.1 209,-0.5 -2,-0.4 6,-0.2 -0.900 18.8-131.5-122.9 145.9 -19.1 -11.4 -32.2 91 92 A H > - 0 0 47 4,-2.2 3,-2.3 -2,-0.3 6,-0.0 -0.440 43.9 -96.3 -83.2 168.4 -16.4 -8.8 -33.0 92 93 A E T 3 S+ 0 0 57 1,-0.3 217,-0.1 -2,-0.1 261,-0.1 0.683 127.1 55.1 -64.0 -16.6 -17.3 -5.8 -35.0 93 94 A D T 3 S- 0 0 98 2,-0.1 -1,-0.3 261,-0.1 0, 0.0 0.272 124.8-100.3 -95.2 6.4 -16.1 -7.7 -38.1 94 95 A G S < S+ 0 0 17 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.426 71.8 147.7 91.5 -0.2 -18.3 -10.7 -37.5 95 96 A E - 0 0 115 1,-0.1 -4,-2.2 -5,-0.0 2,-0.3 -0.533 44.6-132.0 -71.4 125.6 -15.7 -13.0 -35.9 96 97 A I E +H 90 0D 105 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.595 36.7 163.7 -74.7 134.8 -17.2 -15.4 -33.3 97 98 A Y E -H 89 0D 55 -8,-2.6 -8,-0.6 -2,-0.3 0, 0.0 -0.979 38.1-128.7-150.5 163.3 -15.2 -15.5 -30.1 98 99 A V > - 0 0 79 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.903 14.6-168.4-116.1 97.0 -15.6 -16.6 -26.5 99 100 A P G > S+ 0 0 43 0, 0.0 3,-2.1 0, 0.0 7,-0.2 0.847 82.2 69.4 -58.5 -30.9 -14.7 -13.8 -24.1 100 101 A E G 3 S+ 0 0 103 1,-0.3 -2,-0.0 5,-0.1 0, 0.0 0.651 96.1 54.4 -60.0 -19.6 -14.7 -16.2 -21.1 101 102 A K G < S+ 0 0 171 -3,-1.9 -1,-0.3 5,-0.1 3,-0.0 0.319 71.2 126.9-102.6 9.7 -11.6 -18.0 -22.4 102 103 A D <> - 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0 0 150 -2,-0.9 -2,-0.1 1,-0.1 3,-0.1 -0.306 27.4-136.6 -61.1 124.9 -31.0 7.9 -0.9 136 137 A V - 0 0 12 -4,-0.2 -1,-0.1 1,-0.2 5,-0.1 -0.367 31.2 -78.5 -82.3 158.2 -28.1 5.7 -2.2 137 138 A H > - 0 0 71 1,-0.1 3,-1.8 -13,-0.1 4,-0.4 -0.248 46.5-114.7 -47.5 139.2 -24.4 5.9 -1.1 138 139 A E G > S+ 0 0 142 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.817 113.7 63.9 -53.4 -36.0 -22.7 8.8 -2.9 139 140 A D G > S+ 0 0 16 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.840 95.7 59.1 -58.1 -33.2 -20.5 6.5 -4.9 140 141 A L G < S+ 0 0 2 -3,-1.8 38,-2.4 1,-0.3 -1,-0.3 0.608 92.7 67.7 -74.1 -11.9 -23.6 5.1 -6.7 141 142 A M G < S+ 0 0 15 -3,-1.7 238,-0.3 -4,-0.4 -1,-0.3 0.549 87.1 88.5 -81.8 -10.1 -24.4 8.6 -7.9 142 143 A L S < S- 0 0 26 -3,-1.3 35,-3.4 -4,-0.3 36,-0.2 -0.486 98.3 -82.9 -82.6 155.9 -21.2 8.5 -10.1 143 144 A P B >> -M 176 0E 9 0, 0.0 4,-2.7 0, 0.0 3,-0.7 -0.303 50.3-107.7 -55.0 146.6 -21.2 7.1 -13.7 144 145 A F H 3> S+ 0 0 0 31,-2.4 4,-2.5 1,-0.3 29,-0.2 0.824 117.7 49.6 -51.6 -42.6 -20.8 3.3 -13.5 145 146 A D H 3> S+ 0 0 34 27,-2.3 4,-2.8 2,-0.2 -1,-0.3 0.861 111.7 49.0 -65.7 -38.8 -17.2 3.2 -14.7 146 147 A E H <> S+ 0 0 98 -3,-0.7 4,-2.4 26,-0.5 -2,-0.2 0.923 110.2 51.6 -64.8 -46.0 -16.2 5.9 -12.2 147 148 A F H X S+ 0 0 0 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.936 113.4 44.9 -50.8 -51.1 -18.0 3.9 -9.5 148 149 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 3,-1.0 0.925 110.5 54.2 -60.7 -47.1 -16.0 0.8 -10.5 149 150 A A H ><5S+ 0 0 44 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.880 102.5 57.1 -55.4 -41.7 -12.7 2.7 -10.8 150 151 A L H 3<5S+ 0 0 101 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.805 113.9 40.0 -60.9 -28.7 -13.1 4.0 -7.2 151 152 A N T <<5S- 0 0 12 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.217 113.0-114.4-105.2 13.2 -13.3 0.3 -6.0 152 153 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -4,-0.1 3,-0.2 0.824 84.4 118.4 55.3 34.2 -10.6 -1.1 -8.4 153 154 A C > < + 0 0 0 -5,-2.7 3,-2.3 1,-0.1 4,-0.3 0.035 18.5 131.1-119.5 24.8 -13.3 -3.2 -10.1 154 155 A E G > + 0 0 90 -6,-0.3 3,-1.8 1,-0.3 4,-0.2 0.818 67.6 63.4 -48.5 -42.3 -13.1 -1.8 -13.7 155 156 A A G > S+ 0 0 9 1,-0.3 3,-1.3 -3,-0.2 4,-0.4 0.695 83.7 78.4 -60.0 -20.0 -12.9 -5.3 -15.3 156 157 A A G X> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 3,-1.2 0.794 77.7 74.3 -57.2 -27.8 -16.5 -6.0 -13.9 157 158 A R H <> S+ 0 0 68 -3,-1.8 4,-2.3 -4,-0.3 -1,-0.2 0.751 81.3 67.7 -60.1 -31.2 -17.9 -3.9 -16.8 158 159 A D H <4 S+ 0 0 58 -3,-1.3 4,-0.4 -4,-0.2 -1,-0.3 0.844 109.9 36.2 -58.8 -35.7 -17.2 -6.7 -19.4 159 160 A L H X4 S+ 0 0 35 -3,-1.2 3,-0.6 -4,-0.4 -2,-0.2 0.923 120.5 45.8 -79.0 -49.7 -19.8 -8.8 -17.6 160 161 A W H 3< S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.740 102.1 66.7 -67.3 -26.0 -22.3 -6.0 -16.8 161 162 A I T >X>S+ 0 0 16 -4,-2.3 4,-1.5 -5,-0.2 3,-1.2 0.831 87.8 63.5 -71.5 -34.6 -22.2 -4.3 -20.2 162 163 A N T <45S+ 0 0 21 -3,-0.6 5,-0.2 -4,-0.4 4,-0.2 0.904 109.9 36.6 -66.0 -45.4 -23.8 -6.9 -22.3 163 164 A P T 345S+ 0 0 7 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.342 127.2 42.5 -82.4 8.0 -27.3 -6.9 -20.6 164 165 A F T <4>S+ 0 0 0 -3,-1.2 5,-2.1 -4,-0.1 6,-0.3 0.742 118.8 26.8-113.5 -71.8 -27.0 -3.1 -20.2 165 166 A T I ><>S+ 0 0 1 -4,-1.5 3,-1.7 1,-0.2 5,-0.6 0.905 123.7 50.2 -64.6 -45.7 -25.6 -1.1 -23.1 166 167 A A I 3 > - 0 0 7 -2,-0.2 4,-2.8 -3,-0.1 3,-1.8 -0.786 32.2-136.4-117.8 140.3 -23.0 3.8 -21.6 172 173 A F T 34 S+ 0 0 1 -2,-0.3 -27,-2.3 1,-0.3 -26,-0.5 0.620 97.8 75.1 -66.3 -17.9 -21.0 3.3 -18.4 173 174 A D T 34 S+ 0 0 52 -29,-0.2 -1,-0.3 -28,-0.1 -3,-0.0 0.706 122.0 5.1 -64.6 -20.1 -18.9 6.4 -19.0 174 175 A N T <4 S+ 0 0 29 -3,-1.8 201,-0.5 -32,-0.1 -2,-0.2 0.613 99.6 99.7-135.1 -32.9 -21.9 8.5 -18.1 175 176 A V S < S- 0 0 0 -4,-2.8 -31,-2.4 -32,-0.1 -30,-0.1 -0.485 79.2-109.6 -69.2 123.7 -25.0 6.5 -16.8 176 177 A P B >> -M 143 0E 0 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.209 16.5-122.1 -58.8 143.2 -25.0 6.7 -13.0 177 178 A A H 3> S+ 0 0 0 -35,-3.4 4,-2.5 -38,-0.3 5,-0.3 0.789 105.3 68.5 -51.3 -37.8 -24.2 3.5 -11.0 178 179 A A H 3> S+ 0 0 2 -38,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.806 100.8 46.5 -56.3 -37.6 -27.6 3.6 -9.2 179 180 A Y H <> S+ 0 0 0 -3,-1.5 4,-1.5 -39,-0.2 3,-0.4 0.949 113.1 49.1 -68.4 -46.8 -29.6 2.8 -12.4 180 181 A V H X S+ 0 0 0 -4,-1.1 4,-3.0 1,-0.2 3,-0.3 0.920 114.3 43.1 -59.9 -48.8 -27.2 -0.1 -13.4 181 182 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.596 107.3 58.8 -82.8 -14.6 -27.2 -1.8 -10.0 182 183 A K H < S+ 0 0 2 -4,-0.9 3,-0.3 -3,-0.4 -1,-0.2 0.796 121.1 29.6 -77.7 -33.7 -31.0 -1.5 -9.4 183 184 A Y H < S+ 0 0 7 -4,-1.5 2,-1.8 -3,-0.3 -2,-0.2 0.911 131.2 35.7 -80.9 -70.5 -31.5 -3.4 -12.6 184 185 A L S < S+ 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.486 81.0 165.3 -86.5 68.6 -28.4 -5.6 -12.7 185 186 A D > - 0 0 27 -2,-1.8 4,-2.9 -3,-0.3 3,-0.3 -0.326 58.6 -90.2 -71.7 168.2 -28.1 -6.2 -9.0 186 187 A F H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.890 128.2 47.8 -57.6 -38.9 -25.7 -9.0 -8.2 187 188 A V H > S+ 0 0 87 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 113.8 46.8 -67.4 -37.5 -28.4 -11.7 -8.3 188 189 A T H > S+ 0 0 6 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.939 110.1 52.5 -70.8 -46.8 -29.8 -10.4 -11.6 189 190 A M H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.932 110.4 49.4 -51.7 -48.8 -26.4 -10.2 -13.2 190 191 A M H X S+ 0 0 61 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 0.900 107.2 54.0 -59.3 -42.4 -25.7 -13.8 -12.2 191 192 A S H X>S+ 0 0 17 -4,-1.9 5,-2.6 1,-0.2 4,-1.1 0.877 110.9 46.5 -60.1 -40.1 -29.1 -14.9 -13.7 192 193 A F H <5S+ 0 0 20 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.917 111.6 52.3 -63.1 -43.2 -28.0 -13.3 -17.0 193 194 A A H <5S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 114.9 40.7 -61.4 -43.3 -24.6 -14.9 -16.6 194 195 A K H <5S- 0 0 161 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.692 111.0-121.2 -74.5 -20.8 -26.2 -18.4 -16.1 195 196 A G T <5 + 0 0 33 -4,-1.1 2,-1.6 -5,-0.2 -110,-0.2 0.774 58.0 153.3 76.3 28.9 -28.9 -17.7 -18.8 196 197 A D < + 0 0 66 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.2 -0.655 27.7 149.8 -88.1 80.6 -31.6 -18.3 -16.2 197 198 A L - 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0 0 0 2,-0.3 2,-2.1 -5,-0.1 6,-0.2 -0.972 47.7 -94.1-160.9 156.3 -35.7 2.1 -14.0 405 406 A G S S+ 0 0 2 -2,-0.3 2,-0.3 -34,-0.1 -35,-0.1 -0.256 89.1 97.1 -73.4 50.2 -36.5 1.4 -17.6 406 407 A N S > S- 0 0 11 -2,-2.1 4,-2.0 -6,-0.1 -2,-0.3 -0.953 76.6-122.3-135.1 159.5 -37.5 -2.3 -17.1 407 408 A F H > S+ 0 0 14 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.768 109.1 48.5 -79.9 -22.7 -41.0 -3.8 -16.7 408 409 A D H > S+ 0 0 8 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.908 111.6 51.4 -74.4 -39.1 -40.5 -5.4 -13.3 409 410 A E H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.916 112.6 44.0 -65.1 -44.5 -39.0 -2.3 -11.8 410 411 A V H X S+ 0 0 7 -4,-2.0 4,-2.3 -6,-0.2 -11,-0.3 0.881 115.6 47.0 -68.1 -40.4 -41.9 -0.0 -13.0 411 412 A C H X S+ 0 0 0 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.928 112.7 50.1 -66.9 -45.3 -44.6 -2.5 -11.9 412 413 A H H X S+ 0 0 57 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.891 111.2 49.6 -57.2 -42.1 -42.8 -3.0 -8.5 413 414 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.913 110.0 50.2 -64.0 -43.5 -42.7 0.8 -8.1 414 415 A S H X S+ 0 0 1 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.951 110.4 50.4 -58.9 -50.0 -46.4 1.1 -9.0 415 416 A K H X S+ 0 0 55 -4,-2.8 4,-1.4 1,-0.2 3,-0.5 0.923 113.2 45.5 -46.7 -53.3 -47.2 -1.6 -6.3 416 417 A D H X S+ 0 0 31 -4,-2.3 4,-3.6 1,-0.2 -1,-0.2 0.818 102.3 65.4 -69.2 -31.1 -45.2 0.2 -3.7 417 418 A L H X>S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 5,-0.5 0.876 102.6 48.8 -56.2 -39.9 -46.7 3.6 -4.6 418 419 A V H X>S+ 0 0 8 -4,-1.3 5,-2.3 -3,-0.5 4,-1.5 0.913 114.9 45.0 -67.5 -43.8 -50.1 2.3 -3.4 419 420 A T H <5S+ 0 0 85 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.913 115.7 47.2 -61.4 -45.4 -48.5 1.1 -0.2 420 421 A R H <5S+ 0 0 67 -4,-3.6 -2,-0.2 1,-0.1 -1,-0.2 0.847 132.7 5.7 -71.0 -35.8 -46.5 4.4 0.3 421 422 A F H <5S+ 0 0 47 -4,-2.2 -3,-0.2 -5,-0.2 -419,-0.2 0.624 124.9 44.6-125.3 -21.5 -49.3 6.9 -0.3 422 423 A F T << 0 0 1 -4,-1.5 -420,-1.4 -5,-0.5 -3,-0.2 0.905 360.0 360.0-101.1 -49.7 -52.8 5.5 -0.8 423 424 A V < 0 0 113 -5,-2.3 -420,-0.1 -422,-0.2 -395,-0.1 -0.364 360.0 360.0 -65.0 360.0 -53.4 2.8 1.8