==== 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 OXIDOREDUCTASE 15-APR-08 2JJN . COMPND 2 MOLECULE: CYTOCHROME P450 113A1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR C.SAVINO,G.SCIARA,A.E.MIELE,S.G.KENDREW,B.VALLONE . 395 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 2 0 2 1 1 0 2 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 1 0 0 1 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 17 A T 0 0 167 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.2 8.1 12.4 -21.2 2 18 A I + 0 0 121 1,-0.1 3,-0.0 4,-0.0 0, 0.0 -0.944 360.0 160.2 -85.0 98.4 8.0 10.9 -17.8 3 19 A D + 0 0 58 -2,-0.7 28,-3.0 2,-0.1 2,-0.3 -0.014 46.2 57.6-124.0 25.5 11.8 10.2 -18.1 4 20 A E S S- 0 0 79 26,-0.2 3,-0.1 27,-0.1 25,-0.0 -0.983 92.4 -89.9-148.1 154.8 12.8 9.8 -14.5 5 21 A V - 0 0 40 -2,-0.3 -2,-0.1 154,-0.2 3,-0.1 -0.272 49.5-104.0 -56.3 144.8 11.6 7.5 -11.7 6 22 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.287 49.8 -89.7 -62.6 157.5 8.8 8.8 -9.6 7 23 A G - 0 0 47 1,-0.1 3,-0.3 -3,-0.1 368,-0.2 -0.212 27.4-120.9 -69.3 165.1 9.9 10.1 -6.1 8 24 A M S S+ 0 0 8 366,-2.2 366,-0.2 1,-0.2 367,-0.1 0.710 98.1 76.1 -79.0 -20.0 10.1 7.8 -3.1 9 25 A A S S+ 0 0 30 365,-0.2 2,-1.3 1,-0.2 -1,-0.2 0.839 86.2 59.1 -67.5 -37.0 7.6 9.8 -0.9 10 26 A D > + 0 0 99 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 -0.728 69.5 178.1 -90.3 89.2 4.4 8.6 -2.6 11 27 A E H > S+ 0 0 19 -2,-1.3 4,-3.0 1,-0.2 5,-0.2 0.886 74.4 51.4 -65.0 -41.4 4.9 5.0 -2.0 12 28 A T H > S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 112.0 46.6 -62.1 -43.8 1.6 3.8 -3.6 13 29 A A H > S+ 0 0 42 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 113.5 49.8 -65.2 -39.4 2.3 5.7 -6.8 14 30 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.939 111.7 47.6 -64.6 -49.4 5.9 4.4 -6.9 15 31 A L H X S+ 0 0 27 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.900 111.0 50.8 -58.9 -41.8 4.7 0.8 -6.4 16 32 A D H X S+ 0 0 105 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.929 112.3 47.8 -63.6 -42.9 2.1 1.1 -9.1 17 33 A W H X S+ 0 0 36 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.920 109.4 51.3 -62.8 -48.1 4.7 2.4 -11.5 18 34 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.899 108.3 54.4 -56.5 -40.8 7.2 -0.3 -10.7 19 35 A G H X S+ 0 0 22 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.932 109.0 47.1 -56.0 -47.0 4.4 -2.8 -11.4 20 36 A T H X S+ 0 0 73 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.890 112.2 50.0 -65.1 -36.8 3.7 -1.3 -14.8 21 37 A M H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.895 105.5 55.7 -73.2 -38.0 7.4 -1.3 -15.7 22 38 A R H < S+ 0 0 35 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.920 116.9 38.8 -55.2 -42.1 7.9 -4.9 -14.6 23 39 A E H < S+ 0 0 145 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.953 133.6 17.3 -69.7 -50.0 5.1 -5.8 -17.1 24 40 A K H < S+ 0 0 158 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.618 136.3 16.0-106.7 -22.2 5.9 -3.4 -20.0 25 41 A Q < + 0 0 98 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.446 59.5 169.5-157.0 71.2 9.5 -2.1 -19.7 26 42 A P S S+ 0 0 16 0, 0.0 12,-2.4 0, 0.0 13,-0.5 0.656 77.3 42.0 -72.5 -11.6 11.5 -4.2 -17.3 27 43 A V E S+A 37 0A 3 10,-0.2 2,-0.4 11,-0.1 10,-0.2 -0.967 81.6 179.4-134.0 114.0 14.9 -2.6 -18.3 28 44 A W E -A 36 0A 31 8,-2.4 8,-1.9 -2,-0.4 2,-0.5 -0.922 23.6-147.8-130.1 139.0 14.5 1.2 -18.7 29 45 A Q E -A 35 0A 105 -2,-0.4 6,-0.2 6,-0.2 267,-0.0 -0.918 22.3-150.5-109.2 122.4 16.9 4.0 -19.6 30 46 A D > - 0 0 13 4,-3.0 3,-2.0 -2,-0.5 -26,-0.2 -0.191 33.8 -90.3 -85.8-179.2 16.1 7.4 -18.0 31 47 A R T 3 S+ 0 0 147 -28,-3.0 -27,-0.1 1,-0.3 -1,-0.1 0.633 126.0 54.6 -70.0 -13.7 16.8 10.9 -19.2 32 48 A Y T 3 S- 0 0 50 -29,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.352 120.4-107.0 -95.1 3.0 20.2 10.9 -17.6 33 49 A G S < S+ 0 0 28 -3,-2.0 2,-0.4 1,-0.3 262,-0.3 0.700 76.1 139.6 76.3 20.7 21.2 7.7 -19.4 34 50 A V - 0 0 1 260,-0.1 -4,-3.0 262,-0.0 -1,-0.3 -0.808 44.7-139.5 -97.3 136.9 20.9 5.7 -16.2 35 51 A W E -Ab 29 296A 21 260,-2.9 262,-3.2 -2,-0.4 2,-0.4 -0.589 11.1-156.3-102.2 153.6 19.4 2.3 -16.6 36 52 A H E -Ab 28 297A 4 -8,-1.9 -8,-2.4 260,-0.2 2,-0.5 -0.999 2.8-156.9-134.7 137.7 16.9 0.7 -14.2 37 53 A V E +Ab 27 298A 0 260,-2.7 262,-2.6 -2,-0.4 -10,-0.2 -0.951 14.5 172.7-122.2 124.6 16.2 -3.0 -13.7 38 54 A F + 0 0 0 -12,-2.4 2,-0.3 -2,-0.5 -16,-0.1 0.698 44.5 86.0-109.4 -26.1 12.8 -4.0 -12.3 39 55 A R S > S- 0 0 78 -13,-0.5 4,-2.7 1,-0.1 3,-0.4 -0.611 73.3-125.3 -88.8 147.8 12.2 -7.8 -12.3 40 56 A H H > S+ 0 0 33 1,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.905 108.6 47.4 -56.1 -49.4 13.4 -10.0 -9.5 41 57 A A H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.872 114.1 48.0 -62.1 -36.7 15.4 -12.4 -11.7 42 58 A D H > S+ 0 0 24 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.866 107.8 54.2 -73.8 -36.7 17.1 -9.6 -13.6 43 59 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.939 110.3 48.3 -60.0 -42.8 18.0 -7.7 -10.3 44 60 A Q H X S+ 0 0 68 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.912 109.1 53.3 -64.3 -38.8 19.7 -10.9 -9.2 45 61 A T H X S+ 0 0 72 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.928 111.2 45.8 -57.3 -47.2 21.5 -11.3 -12.5 46 62 A V H < S+ 0 0 0 -4,-2.3 7,-0.2 1,-0.2 -2,-0.2 0.924 113.9 47.1 -65.9 -49.7 22.9 -7.8 -12.3 47 63 A L H < S+ 0 0 2 -4,-2.5 287,-0.2 1,-0.2 -1,-0.2 0.827 111.3 52.3 -64.8 -30.5 24.0 -8.1 -8.6 48 64 A R H < S+ 0 0 147 -4,-2.2 2,-1.4 -5,-0.2 -1,-0.2 0.877 94.7 71.8 -71.1 -37.4 25.7 -11.5 -9.2 49 65 A D X + 0 0 34 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 -0.622 51.7 166.6 -91.3 90.3 27.9 -10.5 -12.1 50 66 A T T 4 S+ 0 0 32 -2,-1.4 -1,-0.2 1,-0.2 5,-0.1 0.766 73.1 61.0 -72.7 -28.1 30.6 -8.3 -10.6 51 67 A A T 4 S+ 0 0 72 -3,-0.2 3,-0.2 1,-0.2 -1,-0.2 0.917 117.6 28.9 -67.0 -40.3 32.8 -8.5 -13.7 52 68 A T T 4 S+ 0 0 6 1,-0.2 228,-2.5 -3,-0.1 2,-0.8 0.858 125.4 46.5 -83.5 -41.4 30.1 -6.9 -15.9 53 69 A F E < S-C 279 0A 2 -4,-2.5 -1,-0.2 226,-0.2 226,-0.2 -0.817 81.1-160.4-112.4 91.5 28.4 -4.8 -13.3 54 70 A S E -C 278 0A 0 224,-2.6 224,-2.3 -2,-0.8 -3,-0.1 -0.321 19.6-147.0 -71.2 148.9 31.0 -3.0 -11.2 55 71 A S S S+ 0 0 8 222,-0.2 -1,-0.1 -5,-0.1 221,-0.1 0.405 74.0 101.3 -92.0 1.3 30.3 -1.5 -7.8 56 72 A D > - 0 0 24 222,-0.2 3,-0.9 1,-0.2 4,-0.2 -0.768 49.6-176.3 -87.6 105.0 32.7 1.3 -8.4 57 73 A P G > S+ 0 0 26 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.707 73.5 76.4 -74.5 -16.4 30.5 4.3 -9.3 58 74 A T G > S+ 0 0 19 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.700 74.2 79.3 -69.9 -20.3 33.5 6.5 -10.0 59 75 A R G < S+ 0 0 120 -3,-0.9 -1,-0.3 1,-0.3 219,-0.0 0.813 105.4 32.1 -52.6 -32.9 33.9 4.8 -13.4 60 76 A V G < S+ 0 0 27 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.215 100.8 91.8-112.3 9.0 31.1 6.9 -14.8 61 77 A I S X S- 0 0 18 -3,-1.4 3,-1.9 3,-0.1 102,-0.1 -0.941 81.4-120.4-112.5 114.5 31.7 10.1 -12.7 62 78 A E T 3 S+ 0 0 169 -2,-0.6 3,-0.1 100,-0.5 -2,-0.1 -0.281 92.2 0.3 -56.5 124.3 34.0 12.6 -14.3 63 79 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -5,-0.1 2,-0.1 0.273 99.8 127.4 84.4 -10.9 37.0 13.3 -12.2 64 80 A A < - 0 0 36 -3,-1.9 -1,-0.3 -6,-0.3 -3,-0.1 -0.468 37.0-168.3 -83.3 149.6 36.1 10.9 -9.4 65 81 A S - 0 0 93 -2,-0.1 -6,-0.0 -3,-0.1 -3,-0.0 -0.930 31.8 -81.6-132.7 161.8 38.4 8.2 -8.1 66 82 A P - 0 0 69 0, 0.0 8,-0.1 0, 0.0 -10,-0.0 -0.237 36.2-132.1 -61.1 146.5 38.0 5.2 -5.7 67 83 A T > - 0 0 50 3,-0.2 3,-2.3 6,-0.1 6,-0.2 -0.901 26.7-118.9-101.3 114.6 38.1 5.7 -1.9 68 84 A P T 3 S+ 0 0 43 0, 0.0 149,-0.2 0, 0.0 150,-0.1 -0.183 95.9 15.1 -52.5 133.1 40.4 3.2 -0.2 69 85 A G T 3 S+ 0 0 0 1,-0.2 2,-1.9 148,-0.1 3,-0.1 0.318 83.4 126.5 90.5 -15.5 38.5 1.0 2.3 70 86 A M X - 0 0 14 -3,-2.3 3,-2.5 1,-0.2 -1,-0.2 -0.604 40.3-174.2 -79.8 83.1 35.0 1.8 1.0 71 87 A I G > S+ 0 0 16 -2,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.769 73.0 60.3 -58.2 -31.7 34.2 -1.8 0.6 72 88 A H G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.569 107.9 47.2 -75.2 -5.4 30.8 -1.3 -1.1 73 89 A E G < S+ 0 0 51 -3,-2.5 2,-0.4 -6,-0.2 -1,-0.3 0.190 96.7 90.7-116.0 13.9 32.5 0.6 -4.0 74 90 A I < - 0 0 12 -3,-1.5 0, 0.0 -4,-0.1 0, 0.0 -0.913 60.4-150.5-118.4 139.7 35.4 -1.9 -4.5 75 91 A D > - 0 0 31 -2,-0.4 4,-2.3 1,-0.1 3,-0.4 -0.594 35.9 -50.0-101.2 162.7 35.4 -4.9 -6.9 76 92 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.350 112.2 32.9 -62.0 153.1 37.2 -8.2 -6.8 77 93 A P T >> S+ 0 0 103 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.962 130.4 38.2 -82.5 -19.3 39.9 -9.2 -6.4 78 94 A E H 3> S+ 0 0 87 -3,-0.4 4,-2.8 1,-0.3 5,-0.3 0.875 114.2 58.5 -57.0 -41.2 40.5 -6.3 -4.0 79 95 A H H 3X S+ 0 0 6 -4,-2.3 4,-2.9 1,-0.2 -1,-0.3 0.894 104.3 49.8 -57.0 -39.7 37.0 -6.6 -2.6 80 96 A R H <> S+ 0 0 149 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.921 112.5 46.7 -67.1 -42.9 37.6 -10.2 -1.6 81 97 A A H X S+ 0 0 37 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.899 115.4 46.5 -63.1 -46.0 40.9 -9.4 0.2 82 98 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.924 110.2 52.0 -66.2 -42.4 39.3 -6.4 2.0 83 99 A R H X S+ 0 0 58 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.912 108.9 51.5 -63.1 -37.8 36.2 -8.3 3.0 84 100 A K H X S+ 0 0 96 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.917 110.5 48.6 -62.7 -44.9 38.3 -11.1 4.5 85 101 A V H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 3,-0.4 0.961 115.4 41.9 -61.1 -53.4 40.3 -8.6 6.6 86 102 A V H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-1.1 0.898 111.0 56.5 -65.4 -34.8 37.3 -6.7 7.9 87 103 A S H 3< S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.828 98.2 62.5 -63.0 -32.3 35.3 -9.9 8.6 88 104 A S H 3< S+ 0 0 51 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.740 115.6 32.6 -68.9 -19.8 38.2 -11.1 10.8 89 105 A A H << S+ 0 0 1 -3,-1.1 2,-1.4 -4,-0.7 -2,-0.2 0.825 113.9 56.3 -94.8 -49.6 37.5 -8.1 13.0 90 106 A F S < S+ 0 0 9 -4,-2.9 -1,-0.2 109,-0.1 -4,-0.0 -0.691 84.7 172.5 -86.5 78.4 33.7 -7.7 12.7 91 107 A T > - 0 0 31 -2,-1.4 4,-1.5 -3,-0.2 3,-0.2 -0.423 48.2-105.9 -92.7 165.0 32.8 -11.2 13.8 92 108 A P H > S+ 0 0 108 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.845 121.0 47.7 -50.3 -40.0 29.5 -13.0 14.7 93 109 A R H > S+ 0 0 171 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.804 102.7 61.8 -77.2 -30.9 30.2 -13.0 18.5 94 110 A T H 4 S+ 0 0 27 -3,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.903 112.4 39.6 -55.3 -42.7 31.2 -9.3 18.3 95 111 A I H >< S+ 0 0 9 -4,-1.5 3,-1.9 2,-0.2 4,-0.2 0.943 114.1 49.7 -77.2 -50.9 27.5 -8.7 17.2 96 112 A S H >< S+ 0 0 56 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.874 102.6 62.3 -61.6 -34.9 25.7 -11.2 19.4 97 113 A D T 3< S+ 0 0 99 -4,-2.4 4,-0.4 1,-0.3 -1,-0.3 0.655 91.9 69.5 -61.0 -16.4 27.5 -9.9 22.6 98 114 A L T <> S+ 0 0 23 -3,-1.9 4,-2.7 -4,-0.2 -1,-0.3 0.600 71.9 94.0 -75.5 -13.1 25.8 -6.5 21.9 99 115 A E H <> S+ 0 0 58 -3,-1.9 4,-2.7 -4,-0.2 5,-0.2 0.903 83.0 46.7 -53.5 -54.9 22.3 -7.9 22.8 100 116 A P H > S+ 0 0 93 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.926 115.6 46.4 -55.6 -42.4 22.2 -6.8 26.5 101 117 A R H > S+ 0 0 94 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.904 111.6 51.8 -65.4 -39.6 23.5 -3.3 25.7 102 118 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.928 112.9 45.7 -58.8 -45.6 21.1 -3.0 22.8 103 119 A R H X S+ 0 0 51 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.907 112.4 51.1 -64.9 -43.1 18.3 -4.0 25.1 104 120 A D H X S+ 0 0 82 -4,-2.8 4,-2.4 -5,-0.2 5,-0.2 0.944 112.4 44.6 -60.0 -52.3 19.5 -1.6 27.9 105 121 A V H X S+ 0 0 11 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.947 116.2 47.9 -59.0 -45.9 19.7 1.4 25.7 106 122 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.948 112.4 47.5 -61.8 -47.6 16.3 0.7 24.1 107 123 A R H X S+ 0 0 134 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.899 114.3 47.0 -64.7 -40.1 14.5 0.1 27.4 108 124 A S H X S+ 0 0 63 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.908 111.8 49.5 -69.2 -38.8 15.9 3.3 28.9 109 125 A L H >< S+ 0 0 55 -4,-2.5 3,-0.6 -5,-0.2 4,-0.3 0.915 115.0 43.8 -66.5 -44.2 15.1 5.5 26.0 110 126 A L H >< S+ 0 0 3 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 0.869 103.3 66.0 -69.4 -32.2 11.5 4.2 25.8 111 127 A A H 3< S+ 0 0 44 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.766 107.4 41.3 -63.9 -21.0 11.0 4.4 29.6 112 128 A D T << S+ 0 0 145 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.425 92.8 84.9-103.0 3.2 11.3 8.2 29.4 113 129 A A S < S- 0 0 22 -3,-1.5 3,-0.4 -4,-0.3 -1,-0.1 0.532 76.1-146.7 -91.0 -6.5 9.4 9.0 26.3 114 130 A G - 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0 0 21 -5,-2.9 -1,-0.3 -6,-0.2 4,-0.1 -0.562 53.8 -78.8 -85.7 148.2 34.1 5.9 20.2 139 155 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.138 62.2 -86.9 -42.8 139.6 33.4 8.4 23.0 140 156 A P S S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 -6,-0.1 0.600 106.8 3.2 -22.6 -68.8 29.8 8.1 24.4 141 157 A M - 0 0 73 -8,-0.1 2,-0.2 2,-0.1 -11,-0.0 -0.855 65.7-130.4-117.0 159.2 28.0 10.3 22.0 142 158 A D + 0 0 66 -2,-0.3 2,-3.1 2,-0.1 4,-0.3 -0.369 38.7 166.6 -97.9 50.8 29.3 12.1 18.9 143 159 A H + 0 0 105 -2,-0.2 2,-0.2 2,-0.1 -2,-0.1 -0.365 44.5 104.4 -65.2 73.6 27.7 15.4 20.0 144 160 A E S > S- 0 0 63 -2,-3.1 3,-0.8 3,-0.1 -2,-0.1 -0.749 86.3 -70.2-148.8-171.0 29.8 17.2 17.4 145 161 A Q T 3 S+ 0 0 129 1,-0.2 -2,-0.1 -2,-0.2 32,-0.1 0.344 92.2 94.8 -75.1 -1.6 30.1 18.9 14.1 146 162 A F T 3 S- 0 0 50 -4,-0.3 -1,-0.2 1,-0.2 2,-0.2 0.750 71.9-157.3 -76.6 -23.7 29.7 15.9 11.7 147 163 A G < - 0 0 67 -3,-0.8 2,-0.4 30,-0.0 -1,-0.2 -0.538 21.1 -49.1 92.5-151.3 25.9 16.4 11.2 148 164 A D > - 0 0 74 -2,-0.2 4,-1.7 1,-0.1 3,-0.3 -0.993 17.5-148.6-141.0 130.1 23.1 14.1 10.1 149 165 A W H > S+ 0 0 27 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.797 102.5 63.1 -60.3 -32.3 22.6 11.6 7.4 150 166 A S H > S+ 0 0 13 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.880 104.7 46.1 -65.1 -36.3 18.9 12.4 7.5 151 167 A G H >> S+ 0 0 25 -3,-0.3 4,-3.5 2,-0.2 3,-0.5 0.920 111.2 50.5 -69.6 -45.8 19.7 16.0 6.5 152 168 A A H 3X S+ 0 0 22 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.899 107.4 54.4 -59.0 -42.0 22.0 15.0 3.6 153 169 A L H 3< S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.2 222,-0.2 0.774 118.4 36.2 -66.1 -24.5 19.4 12.6 2.2 154 170 A V H << S+ 0 0 51 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.843 123.5 39.6 -91.4 -40.3 17.0 15.5 2.1 155 171 A D H < S+ 0 0 120 -4,-3.5 2,-0.8 -5,-0.1 -3,-0.2 0.783 98.2 74.1 -88.6 -30.7 19.3 18.4 1.2 156 172 A I S < S- 0 0 6 -4,-2.5 2,-0.3 -5,-0.3 -1,-0.1 -0.792 81.3-135.0 -89.2 113.1 21.6 16.9 -1.4 157 173 A Q - 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0 0 38 2,-0.1 -5,-0.0 -2,-0.1 0, 0.0 -0.159 53.1 -82.0-121.2-141.8 42.2 -2.7 22.9 194 210 A D S S+ 0 0 121 -2,-0.1 -57,-0.1 4,-0.1 2,-0.0 0.228 83.6 118.0-122.4 16.9 39.4 -5.0 21.7 195 211 A D S > S- 0 0 27 -59,-0.1 4,-2.3 1,-0.1 -59,-0.2 -0.253 83.1 -99.6 -65.4 169.8 36.9 -2.5 20.4 196 212 A L H > S+ 0 0 1 -61,-2.7 4,-2.5 1,-0.2 -60,-0.2 0.862 122.1 55.0 -70.9 -35.2 36.2 -2.9 16.7 197 213 A I H > S+ 0 0 1 -61,-1.0 4,-2.4 -62,-0.2 -1,-0.2 0.943 110.6 47.2 -59.0 -49.1 38.6 -0.0 15.5 198 214 A S H > S+ 0 0 0 -62,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.912 112.9 48.9 -57.1 -42.9 41.5 -1.8 17.4 199 215 A R H X S+ 0 0 64 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.887 110.0 51.2 -66.1 -34.1 40.5 -5.1 15.9 200 216 A L H < S+ 0 0 0 -4,-2.5 10,-0.5 1,-0.2 -2,-0.2 0.883 111.6 47.5 -68.8 -38.0 40.4 -3.5 12.4 201 217 A V H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 116.2 43.8 -69.8 -35.1 43.9 -2.0 12.9 202 218 A L H < S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.649 90.7 110.9 -86.0 -11.8 45.3 -5.3 14.2 203 219 A A < + 0 0 10 -4,-1.2 7,-0.5 -5,-0.2 2,-0.3 -0.265 37.8 168.6 -65.1 142.3 43.6 -7.5 11.5 204 220 A E + 0 0 120 5,-0.1 2,-0.4 -119,-0.1 5,-0.2 -0.881 10.1 177.1-157.0 127.7 45.7 -9.1 8.8 205 221 A V B > S-G 208 0C 38 3,-1.6 3,-2.1 -2,-0.3 -120,-0.1 -0.999 78.4 -9.0-133.9 125.9 44.7 -11.8 6.3 206 222 A D T 3 S- 0 0 143 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.818 128.7 -58.4 55.0 35.6 47.2 -13.1 3.7 207 223 A G T 3 S+ 0 0 55 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.455 107.5 130.2 76.9 0.2 49.6 -10.3 4.7 208 224 A R B < +G 205 0C 65 -3,-2.1 -3,-1.6 -127,-0.1 2,-0.3 -0.779 29.4 170.6 -90.3 121.9 47.0 -7.6 3.9 209 225 A A - 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