==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-13 4IU0 . COMPND 2 MOLECULE: ARGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MEXICANA; . AUTHOR E.L.D'ANTONIO,B.ULLMAN,S.C.ROBERTS,U.GAUR DIXIT,M.E.WILSON,Y . 311 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 31 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 3 0 0 2 1 1 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 13 A K 0 0 145 0, 0.0 40,-2.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 84.0 -21.0 -27.7 -4.1 2 14 A K E -a 41 0A 97 90,-0.3 92,-3.2 38,-0.2 2,-0.4 -0.955 360.0-179.8-114.3 124.0 -19.8 -30.4 -1.7 3 15 A M E -ab 42 94A 0 38,-2.9 40,-1.6 -2,-0.5 2,-0.5 -0.949 18.1-160.6-127.6 145.9 -17.0 -29.5 0.7 4 16 A S E -ab 43 95A 0 90,-2.7 92,-2.5 -2,-0.4 2,-1.0 -0.991 14.0-148.5-124.1 118.1 -15.1 -31.4 3.4 5 17 A I E -ab 44 96A 0 38,-2.5 40,-2.5 -2,-0.5 2,-0.5 -0.787 17.4-150.3 -89.8 102.7 -13.4 -29.3 6.0 6 18 A V E -ab 45 97A 0 90,-1.2 92,-2.5 -2,-1.0 2,-0.7 -0.630 3.0-147.2 -79.1 119.4 -10.3 -31.4 7.0 7 19 A L E +ab 46 98A 11 38,-3.3 40,-1.3 -2,-0.5 41,-0.3 -0.781 22.7 171.8 -90.0 114.8 -9.3 -30.9 10.6 8 20 A A + 0 0 0 90,-2.2 2,-2.0 -2,-0.7 92,-0.4 -0.657 4.7 176.4-125.4 75.3 -5.5 -31.2 10.9 9 21 A P + 0 0 13 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.496 29.8 143.2 -78.8 71.0 -4.5 -30.1 14.5 10 22 A F + 0 0 0 -2,-2.0 91,-1.9 9,-0.2 90,-0.7 -0.915 25.8 165.2-117.2 140.3 -0.8 -30.9 14.1 11 23 A S > + 0 0 1 -2,-0.4 3,-1.6 89,-0.2 -1,-0.1 0.238 50.5 104.4-133.1 7.1 2.2 -29.0 15.5 12 24 A G T 3 + 0 0 0 1,-0.3 129,-0.4 89,-0.1 62,-0.2 0.614 68.1 70.7 -68.5 -12.4 5.0 -31.5 15.1 13 25 A G T 3 S+ 0 0 0 128,-0.1 129,-2.9 127,-0.1 130,-0.3 0.548 110.0 25.0 -80.9 -5.5 6.4 -29.7 12.1 14 26 A Q S < S- 0 0 2 -3,-1.6 87,-0.1 127,-0.2 127,-0.1 -0.887 80.1-110.0-146.9 175.3 7.6 -26.9 14.5 15 27 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.919 82.5 85.0 -77.1 -49.1 8.6 -26.2 18.1 16 28 A H > - 0 0 98 1,-0.1 3,-0.7 228,-0.0 -2,-0.1 -0.406 67.5-138.9 -70.0 125.8 5.8 -24.0 19.5 17 29 A S T 3 S+ 0 0 60 -2,-0.3 -1,-0.1 1,-0.2 263,-0.0 -0.328 77.0 61.5 -72.8 159.1 2.6 -25.5 21.0 18 30 A G T > S+ 0 0 0 262,-0.1 3,-2.1 261,-0.1 -1,-0.2 -0.100 70.5 94.7 115.3 -35.9 -0.7 -23.9 20.2 19 31 A V G X S+ 0 0 0 -3,-0.7 3,-1.4 1,-0.3 258,-0.2 0.738 77.5 66.2 -63.3 -21.1 -0.9 -24.2 16.4 20 32 A E G 3 S+ 0 0 11 1,-0.3 4,-0.4 -11,-0.2 -1,-0.3 0.614 90.7 66.7 -74.0 -10.7 -2.9 -27.5 16.8 21 33 A L G <> S+ 0 0 43 -3,-2.1 4,-2.4 1,-0.2 -1,-0.3 0.506 76.4 91.7 -85.2 -6.8 -5.6 -25.2 18.3 22 34 A G H <> S+ 0 0 0 -3,-1.4 4,-2.9 255,-0.3 5,-0.3 0.958 81.3 49.4 -52.9 -61.3 -6.1 -23.6 14.9 23 35 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 114.5 44.6 -45.6 -54.6 -8.8 -26.0 13.6 24 36 A D H > S+ 0 0 60 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.930 114.2 49.8 -57.7 -49.2 -11.0 -25.6 16.7 25 37 A Y H X S+ 0 0 84 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.889 110.5 49.1 -58.0 -44.9 -10.5 -21.9 16.9 26 38 A L H <>S+ 0 0 1 -4,-2.9 5,-1.1 1,-0.2 4,-0.5 0.928 110.8 51.2 -62.1 -43.6 -11.4 -21.3 13.2 27 39 A L H <5S+ 0 0 29 -4,-2.4 3,-0.4 -5,-0.3 -1,-0.2 0.784 105.4 55.8 -64.8 -27.6 -14.5 -23.5 13.7 28 40 A K H <5S+ 0 0 150 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.865 100.9 57.8 -71.2 -35.9 -15.5 -21.3 16.7 29 41 A Q T <5S- 0 0 75 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.668 128.7-104.2 -65.9 -15.5 -15.3 -18.3 14.5 30 42 A G T >5 + 0 0 9 -4,-0.5 4,-1.9 -3,-0.4 -3,-0.2 0.853 62.7 160.2 94.2 41.7 -17.9 -20.1 12.4 31 43 A L H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 110.3 51.2 -65.9 -44.5 -18.4 -24.0 8.7 33 45 A Q H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 110.2 52.0 -60.2 -36.3 -21.5 -21.7 8.9 34 46 A D H X S+ 0 0 34 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.906 110.9 46.2 -66.3 -43.3 -19.6 -19.3 6.6 35 47 A M H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 3,-0.4 0.887 113.3 49.3 -66.7 -40.2 -19.0 -22.0 4.0 36 48 A E H ><5S+ 0 0 79 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.912 108.8 53.5 -63.7 -42.0 -22.6 -23.2 4.3 37 49 A K H 3<5S+ 0 0 171 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.694 101.7 59.2 -66.1 -21.2 -23.7 -19.6 3.9 38 50 A L T 3<5S- 0 0 42 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.292 130.5 -97.9 -89.7 8.8 -21.6 -19.4 0.7 39 51 A G T < 5S+ 0 0 50 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.483 78.8 140.1 90.7 4.5 -23.8 -22.3 -0.6 40 52 A W < - 0 0 32 -5,-2.5 2,-1.0 -6,-0.2 -1,-0.3 -0.627 52.3-136.4 -86.7 139.9 -21.5 -25.2 0.2 41 53 A D E -a 2 0A 90 -40,-2.7 -38,-2.9 -2,-0.3 2,-0.3 -0.840 37.9-161.5 -89.7 103.6 -22.7 -28.4 1.6 42 54 A T E -a 3 0A 13 -2,-1.0 2,-0.4 -40,-0.2 -38,-0.2 -0.729 21.8-178.5-102.0 145.8 -20.1 -28.9 4.3 43 55 A R E -a 4 0A 79 -40,-1.6 -38,-2.5 -2,-0.3 2,-0.4 -0.996 25.0-128.9-134.7 133.8 -19.0 -32.0 6.2 44 56 A L E -a 5 0A 43 -2,-0.4 2,-0.5 -40,-0.2 -38,-0.2 -0.703 17.2-161.4 -88.8 136.8 -16.3 -32.0 8.9 45 57 A E E -a 6 0A 29 -40,-2.5 -38,-3.3 -2,-0.4 2,-0.6 -0.945 0.4-163.0-120.8 110.3 -13.4 -34.5 8.7 46 58 A R E -a 7 0A 175 -2,-0.5 -38,-0.1 -40,-0.2 3,-0.1 -0.828 7.7-178.5 -93.7 122.4 -11.4 -35.3 11.8 47 59 A V - 0 0 20 -40,-1.3 2,-0.3 -2,-0.6 -1,-0.1 0.750 62.6 -19.4 -92.3 -28.6 -8.1 -37.0 11.0 48 60 A F S S- 0 0 31 -41,-0.3 2,-0.7 33,-0.0 -1,-0.3 -0.957 75.4 -82.8-171.8 161.0 -6.7 -37.5 14.5 49 61 A D > - 0 0 79 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.651 28.8-155.4 -80.1 114.5 -7.0 -36.3 18.1 50 62 A G H > S+ 0 0 8 -2,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.744 92.6 52.8 -58.3 -28.6 -5.0 -33.1 18.7 51 63 A K H > S+ 0 0 131 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.894 111.4 45.4 -75.1 -42.0 -4.6 -33.7 22.4 52 64 A V H > S+ 0 0 86 -3,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 116.1 46.1 -66.3 -45.3 -3.2 -37.2 21.9 53 65 A V H X S+ 0 0 8 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.920 113.1 49.7 -63.9 -44.3 -0.9 -36.1 19.2 54 66 A E H X S+ 0 0 30 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.952 110.5 51.0 -58.4 -49.8 0.3 -33.1 21.3 55 67 A A H X S+ 0 0 64 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.938 112.0 45.8 -52.7 -52.6 0.9 -35.4 24.2 56 68 A R H X S+ 0 0 96 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.837 115.2 50.2 -61.7 -33.0 3.0 -37.7 22.1 57 69 A K H < S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.989 105.9 50.9 -69.0 -60.9 4.8 -34.7 20.6 58 70 A A H < S+ 0 0 76 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.665 116.9 42.3 -52.2 -20.5 5.8 -32.8 23.8 59 71 A S H < S+ 0 0 88 -4,-1.0 2,-1.5 -5,-0.3 -1,-0.2 0.884 95.2 71.1 -98.0 -43.6 7.3 -36.0 25.3 60 72 A D >< + 0 0 82 -4,-1.5 3,-1.3 1,-0.2 -1,-0.2 -0.519 40.0 157.2 -83.2 80.0 9.3 -37.9 22.7 61 73 A N T 3 + 0 0 130 -2,-1.5 -1,-0.2 1,-0.2 9,-0.2 0.666 67.8 78.5 -71.8 -14.7 12.5 -35.8 22.0 62 74 A G T 3 + 0 0 65 -3,-0.2 2,-1.5 1,-0.1 -1,-0.2 0.689 66.2 96.1 -66.6 -18.7 14.0 -39.1 20.8 63 75 A D < + 0 0 13 -3,-1.3 7,-3.4 -6,-0.1 2,-0.3 -0.599 61.1 113.5 -77.1 89.8 12.1 -38.8 17.5 64 76 A R E -H 69 0B 112 -2,-1.5 5,-0.2 5,-0.2 2,-0.2 -0.985 48.2-163.1-155.8 154.8 14.9 -37.3 15.4 65 77 A I E > S-H 68 0B 65 3,-2.0 3,-0.8 -2,-0.3 2,-0.6 -0.651 75.7 -49.9-143.6 79.1 17.1 -38.1 12.4 66 78 A G T 3 S- 0 0 61 1,-0.3 68,-0.1 -2,-0.2 67,-0.0 -0.829 121.5 -20.3 94.4-121.6 20.0 -35.7 12.4 67 79 A R T 3 S+ 0 0 137 -2,-0.6 -1,-0.3 66,-0.3 67,-0.1 0.772 114.9 104.1 -89.4 -31.8 18.8 -32.1 12.8 68 80 A V E < -H 65 0B 4 -3,-0.8 -3,-2.0 65,-0.3 2,-0.4 -0.250 63.9-148.6 -53.8 129.6 15.3 -33.1 11.6 69 81 A K E -H 64 0B 58 70,-2.3 72,-0.5 -5,-0.2 -5,-0.2 -0.882 64.4 -3.9-110.8 135.5 12.9 -33.3 14.5 70 82 A R > + 0 0 41 -7,-3.4 4,-2.5 -2,-0.4 5,-0.2 0.877 69.2 155.0 56.9 46.9 9.9 -35.6 14.8 71 83 A P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.912 74.2 49.0 -68.6 -39.4 10.1 -37.3 11.4 72 84 A R H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.954 115.3 42.3 -63.5 -50.6 8.3 -40.4 12.6 73 85 A L H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.944 117.8 47.6 -61.1 -48.4 5.5 -38.5 14.2 74 86 A T H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.914 110.7 51.2 -59.4 -45.5 5.3 -36.1 11.2 75 87 A A H X S+ 0 0 2 -4,-3.1 4,-1.2 -5,-0.2 -1,-0.2 0.884 111.6 47.8 -61.3 -39.8 5.3 -39.0 8.7 76 88 A E H X S+ 0 0 75 -4,-2.1 4,-1.2 -5,-0.2 -1,-0.2 0.900 114.7 43.9 -69.0 -43.9 2.5 -40.8 10.5 77 89 A C H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 113.4 49.2 -70.7 -41.0 0.2 -37.8 10.8 78 90 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.761 107.2 55.5 -72.1 -23.2 0.7 -36.5 7.3 79 91 A E H X S+ 0 0 61 -4,-1.2 4,-2.7 -5,-0.3 -1,-0.2 0.876 107.1 51.8 -72.4 -35.5 0.1 -39.9 5.8 80 92 A K H X S+ 0 0 81 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.907 111.5 45.7 -63.3 -44.6 -3.3 -39.8 7.7 81 93 A I H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.3 0.900 110.8 54.2 -65.7 -41.0 -4.1 -36.4 6.2 82 94 A Y H X S+ 0 0 29 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.961 110.0 46.1 -56.9 -53.5 -3.0 -37.6 2.8 83 95 A K H X S+ 0 0 115 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.892 115.4 47.4 -58.1 -41.3 -5.4 -40.6 3.0 84 96 A C H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 3,-0.2 0.984 115.7 42.7 -64.8 -55.9 -8.2 -38.4 4.2 85 97 A V H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 -2,-0.2 0.869 112.1 54.1 -59.3 -38.6 -7.7 -35.7 1.6 86 98 A R H X S+ 0 0 83 -4,-3.2 4,-1.6 -5,-0.3 -1,-0.2 0.899 112.4 45.0 -62.0 -38.9 -7.2 -38.2 -1.2 87 99 A R H X S+ 0 0 102 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.892 109.8 54.1 -70.3 -43.3 -10.6 -39.8 -0.2 88 100 A V H <>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 -2,-0.2 0.889 112.3 45.1 -57.8 -41.4 -12.3 -36.4 0.1 89 101 A A H ><5S+ 0 0 8 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.816 109.7 53.5 -74.1 -33.4 -11.2 -35.6 -3.5 90 102 A E H 3<5S+ 0 0 123 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.861 102.4 58.8 -69.8 -33.7 -12.2 -38.9 -4.9 91 103 A Q T 3<5S- 0 0 77 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.441 121.7-112.5 -72.6 0.6 -15.7 -38.5 -3.4 92 104 A G T < 5S+ 0 0 54 -3,-1.1 -90,-0.3 1,-0.3 2,-0.3 0.693 73.6 135.4 75.6 19.3 -15.8 -35.4 -5.6 93 105 A R < - 0 0 24 -5,-2.2 -90,-0.3 -6,-0.2 -1,-0.3 -0.711 61.5-111.6-100.7 152.0 -15.8 -33.0 -2.6 94 106 A F E -b 3 0A 17 -92,-3.2 -90,-2.7 -2,-0.3 2,-0.7 -0.707 31.2-141.2 -81.7 118.3 -13.7 -29.8 -2.2 95 107 A P E -b 4 0A 2 0, 0.0 177,-1.9 0, 0.0 2,-0.7 -0.739 19.7-177.1 -88.7 117.8 -11.1 -30.4 0.6 96 108 A L E -bc 5 272A 0 -92,-2.5 -90,-1.2 -2,-0.7 2,-0.5 -0.918 13.0-163.6-111.1 101.4 -10.5 -27.3 2.8 97 109 A T E -bc 6 273A 1 175,-2.4 177,-2.3 -2,-0.7 2,-0.5 -0.773 5.7-163.6 -95.1 129.0 -7.7 -28.3 5.2 98 110 A I E -bc 7 274A 2 -92,-2.5 -90,-2.2 -2,-0.5 177,-0.2 -0.946 30.3-118.6-113.5 119.8 -7.2 -26.2 8.4 99 111 A G - 0 0 1 175,-2.2 2,-0.2 -2,-0.5 178,-0.1 -0.228 46.4-176.5 -92.8-174.5 -3.9 -26.6 10.2 100 112 A G S S- 0 0 0 -90,-0.7 176,-2.9 -92,-0.4 177,-0.4 0.553 83.1 -28.2 90.0 150.6 -1.8 -27.0 12.1 101 113 A D S > S- 0 0 0 -91,-1.9 3,-1.9 174,-0.2 4,-0.1 -0.369 72.0 -95.8 -81.8 167.8 1.7 -26.1 10.9 102 114 A H G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.551 110.5 84.8 -63.4 -7.6 2.6 -26.2 7.2 103 115 A S G > S+ 0 0 2 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.758 77.2 72.6 -65.3 -19.3 4.1 -29.7 7.4 104 116 A I G X> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.3 3,-1.6 0.745 76.6 76.2 -65.8 -22.2 0.5 -30.8 6.9 105 117 A A H <> S+ 0 0 0 -3,-1.7 4,-1.9 1,-0.3 5,-0.4 0.631 79.1 74.5 -63.8 -11.7 0.7 -29.7 3.3 106 118 A L H <> S+ 0 0 4 -3,-1.7 4,-0.7 1,-0.2 -1,-0.3 0.889 106.8 32.7 -65.9 -39.3 2.7 -32.9 2.8 107 119 A G H <> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 -2,-0.2 0.850 119.1 51.7 -85.9 -36.5 -0.6 -34.8 3.1 108 120 A T H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.956 112.4 42.6 -67.4 -51.2 -2.8 -32.2 1.4 109 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.907 116.9 48.4 -62.0 -42.3 -0.8 -31.6 -1.8 110 122 A A H X S+ 0 0 0 -4,-0.7 4,-1.2 -5,-0.4 -1,-0.2 0.905 112.9 49.3 -64.6 -40.6 -0.2 -35.4 -2.2 111 123 A G H X S+ 0 0 0 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.952 115.7 41.4 -63.3 -50.0 -3.9 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-23.7 -19.1 221 233 A K S S- 0 0 114 -3,-0.2 2,-1.0 1,-0.1 -2,-0.0 0.192 126.5 -91.4 -56.5 23.7 -1.9 -26.6 -20.5 222 234 A G S S- 0 0 43 -2,-2.1 2,-0.2 -3,-0.3 -1,-0.1 -0.768 96.2 -8.6 102.2 -86.7 -4.5 -23.9 -21.0 223 235 A T S S+ 0 0 98 -2,-1.0 -4,-0.1 -5,-0.0 3,-0.1 -0.763 74.1 166.7-152.8 99.3 -6.5 -24.1 -17.7 224 236 A E - 0 0 9 -2,-0.2 -105,-0.1 1,-0.2 -6,-0.1 -0.497 46.2 -68.2-106.4 175.2 -6.0 -26.9 -15.2 225 237 A P - 0 0 28 0, 0.0 -105,-3.1 0, 0.0 2,-0.4 -0.239 48.8-150.4 -61.8 153.5 -7.0 -27.3 -11.6 226 238 A V E -dg 120 269A 0 42,-2.6 44,-3.8 -107,-0.2 45,-0.8 -0.987 11.0-168.5-131.8 138.7 -5.5 -25.1 -9.0 227 239 A M E -dg 121 271A 0 -107,-2.1 -105,-3.0 -2,-0.4 2,-0.4 -0.950 7.2-155.4-122.9 144.5 -4.7 -25.7 -5.3 228 240 A V E -dg 122 272A 0 43,-1.7 45,-2.3 -2,-0.4 2,-0.7 -0.984 7.1-167.4-124.7 126.3 -3.7 -23.1 -2.8 229 241 A S E -dg 123 273A 0 -107,-2.3 -105,-1.7 -2,-0.4 2,-0.7 -0.940 20.7-160.2-110.5 106.3 -1.7 -23.8 0.4 230 242 A Y E -dg 124 274A 0 43,-3.2 45,-2.9 -2,-0.7 2,-0.6 -0.795 12.8-167.5-100.2 108.9 -2.0 -20.6 2.4 231 243 A D E > - g 0 275A 0 -107,-2.9 3,-1.5 -2,-0.7 4,-0.2 -0.796 16.7-146.8 -89.9 121.1 0.5 -19.8 5.2 232 244 A V G > S+ 0 0 0 43,-2.1 3,-1.3 -2,-0.6 -1,-0.1 0.648 90.4 76.5 -65.5 -13.2 -0.9 -17.0 7.2 233 245 A D G 3 S+ 0 0 2 1,-0.3 14,-0.4 42,-0.2 -1,-0.3 0.407 75.6 79.9 -78.8 8.1 2.6 -15.6 8.0 234 246 A T G < S+ 0 0 0 -3,-1.5 17,-2.2 -110,-0.2 2,-0.3 0.804 80.6 78.8 -77.1 -30.7 2.5 -14.3 4.4 235 247 A I B < S-i 251 0C 2 -3,-1.3 12,-0.2 15,-0.2 5,-0.2 -0.578 105.2 -92.4 -79.5 137.8 0.5 -11.4 5.8 236 248 A D >> - 0 0 20 15,-3.3 3,-2.8 -2,-0.3 4,-1.5 -0.239 34.6-119.4 -53.8 132.2 2.4 -8.7 7.6 237 249 A P T 34 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.765 111.1 71.8 -43.5 -33.0 2.6 -9.5 11.3 238 250 A L T 34 S+ 0 0 119 1,-0.2 -2,-0.1 2,-0.2 10,-0.0 0.495 113.1 29.7 -66.5 2.1 0.8 -6.2 12.0 239 251 A Y T <4 S+ 0 0 87 -3,-2.8 -1,-0.2 -4,-0.1 3,-0.1 0.539 133.2 32.7-125.4 -34.6 -2.2 -8.1 10.6 240 252 A V < + 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 3,-0.1 -0.694 67.4 151.6-128.8 76.2 -1.4 -11.6 11.6 241 253 A P + 0 0 32 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.911 58.6 74.0 -70.8 -47.4 0.5 -11.4 14.9 242 254 A A S S+ 0 0 1 45,-0.6 36,-1.6 -3,-0.1 2,-0.3 -0.463 74.9 106.5 -73.5 74.9 -0.4 -14.8 16.3 243 255 A T S S- 0 0 7 -2,-2.1 34,-0.1 38,-0.4 33,-0.1 -0.974 71.5-123.1-148.4 155.4 1.8 -17.0 14.1 244 256 A G S S+ 0 0 24 32,-0.5 -1,-0.1 -2,-0.3 33,-0.1 0.810 101.7 31.4 -73.5 -32.2 5.0 -18.9 14.7 245 257 A T S S+ 0 0 32 31,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.586 75.3 177.9-129.2 71.5 7.3 -17.4 12.1 246 258 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.511 4.6-175.4 -77.4 140.0 6.4 -13.7 11.5 247 259 A V - 0 0 23 -14,-0.4 3,-0.2 -12,-0.2 -67,-0.1 -0.993 22.9-125.2-136.5 125.8 8.4 -11.6 9.1 248 260 A R S S+ 0 0 171 -2,-0.4 -12,-0.0 1,-0.2 -13,-0.0 -0.301 86.2 49.4 -70.7 153.4 7.9 -7.8 8.6 249 261 A G S S+ 0 0 45 1,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.812 82.1 137.4 88.2 34.5 7.2 -6.3 5.2 250 262 A G - 0 0 11 1,-0.2 -15,-0.2 -3,-0.2 -1,-0.1 -0.181 58.4 -50.1 -99.6-165.7 4.5 -8.8 4.2 251 263 A L B -i 235 0C 0 -17,-2.2 -15,-3.3 -74,-0.1 -1,-0.2 -0.290 55.8-121.0 -64.6 149.2 1.2 -8.6 2.4 252 264 A S > - 0 0 26 -17,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.433 29.5-104.7 -83.3 166.3 -1.3 -6.1 3.7 253 265 A F H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.912 123.7 51.8 -58.1 -40.1 -4.7 -7.3 4.9 254 266 A R H > S+ 0 0 205 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.931 111.7 42.8 -63.1 -48.4 -6.2 -6.0 1.6 255 267 A E H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 110.4 58.1 -65.5 -38.2 -3.7 -7.8 -0.7 256 268 A A H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.876 116.1 34.5 -59.2 -38.9 -4.0 -11.0 1.4 257 269 A L H X S+ 0 0 23 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.789 112.5 59.3 -87.4 -30.7 -7.7 -11.0 0.8 258 270 A F H X S+ 0 0 65 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.894 100.6 57.2 -64.0 -39.9 -7.6 -9.6 -2.8 259 271 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.899 106.0 51.2 -56.2 -41.7 -5.4 -12.6 -3.8 260 272 A C H X S+ 0 0 0 -4,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.918 108.2 50.8 -63.3 -44.4 -8.2 -14.9 -2.6 261 273 A E H X S+ 0 0 55 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.865 110.3 49.7 -62.9 -37.2 -10.9 -13.0 -4.6 262 274 A R H X S+ 0 0 37 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.889 113.0 46.1 -68.6 -41.1 -8.7 -13.2 -7.8 263 275 A I H >X>S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 3,-0.6 0.925 113.2 49.4 -66.4 -44.9 -8.2 -17.0 -7.3 264 276 A A H ><5S+ 0 0 25 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.960 107.3 57.5 -56.0 -51.1 -11.9 -17.5 -6.6 265 277 A E H 3<5S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 95.9 61.4 -51.5 -33.1 -12.7 -15.5 -9.7 266 278 A C H <<5S- 0 0 41 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.708 96.4-143.6 -72.1 -16.4 -10.7 -17.8 -12.0 267 279 A G T <<5S+ 0 0 65 -3,-2.1 -3,-0.1 -4,-0.6 -2,-0.1 0.617 72.0 99.1 67.0 15.9 -13.0 -20.6 -11.0 268 280 A R < + 0 0 45 -5,-0.5 -42,-2.6 -43,-0.1 2,-0.2 0.316 39.2 130.7-115.8 9.1 -10.4 -23.4 -11.0 269 281 A L E + g 0 226A 28 -6,-0.4 -42,-0.2 -5,-0.2 3,-0.1 -0.450 23.6 171.0 -63.8 127.0 -9.6 -23.7 -7.2 270 282 A V E + 0 0 24 -44,-3.8 2,-0.3 1,-0.3 -43,-0.2 0.567 61.2 7.1-115.5 -13.9 -9.8 -27.4 -6.3 271 283 A A E - g 0 227A 0 -45,-0.8 -43,-1.7 -177,-0.2 -1,-0.3 -0.981 58.5-160.1-162.1 159.6 -8.4 -27.4 -2.8 272 284 A L E -cg 96 228A 0 -177,-1.9 -175,-2.4 -2,-0.3 2,-0.4 -0.979 3.8-165.0-151.6 135.6 -7.2 -25.0 -0.1 273 285 A D E -cg 97 229A 1 -45,-2.3 -43,-3.2 -2,-0.3 2,-0.5 -0.964 2.5-168.7-117.5 137.1 -5.0 -25.2 3.0 274 286 A V E +cg 98 230A 1 -177,-2.3 -175,-2.2 -2,-0.4 2,-0.2 -0.947 29.3 170.8-123.6 106.1 -5.1 -22.4 5.7 275 287 A V E + g 0 231A 0 -45,-2.9 -43,-2.1 -2,-0.5 -174,-0.2 -0.681 33.5 37.6-122.9 172.7 -2.2 -23.0 8.0 276 288 A E + 0 0 0 -176,-2.9 2,-0.8 1,-0.2 -32,-0.5 0.696 57.5 151.9 68.6 26.3 0.0 -21.8 10.8 277 289 A C - 0 0 1 -177,-0.4 -255,-0.3 -258,-0.2 -1,-0.2 -0.796 19.0-178.4 -86.8 115.3 -2.6 -20.0 13.0 278 290 A N > - 0 0 2 -36,-1.6 3,-1.7 -2,-0.8 -259,-0.2 -0.800 11.5-176.0-119.6 89.0 -1.3 -20.2 16.5 279 291 A P T 3 S+ 0 0 6 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.766 82.3 60.9 -51.1 -34.2 -3.8 -18.7 19.0 280 292 A L T 3 S+ 0 0 96 1,-0.2 2,-1.1 -262,-0.1 -262,-0.1 0.773 90.6 70.3 -69.3 -25.6 -1.4 -19.2 22.0 281 293 A L S < S+ 0 0 60 -3,-1.7 2,-0.4 -39,-0.1 -38,-0.4 -0.301 78.0 112.7 -88.1 51.4 1.2 -16.9 20.4 282 294 A A - 0 0 25 -2,-1.1 3,-0.0 -3,-0.4 -40,-0.0 -0.974 56.3-152.8-127.9 140.1 -0.8 -13.7 20.8 283 295 A A S S+ 0 0 83 -2,-0.4 -1,-0.2 2,-0.0 2,-0.1 0.996 83.4 8.5 -68.8 -72.0 -0.1 -10.7 23.1 284 296 A T S > S- 0 0 72 1,-0.1 4,-0.9 0, 0.0 3,-0.5 -0.405 85.1-102.9-100.3-179.8 -3.7 -9.5 23.7 285 297 A E H > S+ 0 0 174 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.595 121.2 69.9 -78.7 -9.7 -6.9 -11.2 22.7 286 298 A S H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.837 95.3 51.5 -72.6 -35.0 -6.9 -8.6 19.9 287 299 A H H > S+ 0 0 59 -3,-0.5 4,-1.5 2,-0.2 -45,-0.6 0.873 111.3 48.5 -68.3 -39.7 -4.0 -10.5 18.3 288 300 A V H X S+ 0 0 32 -4,-0.9 4,-2.7 2,-0.2 5,-0.4 0.970 112.6 44.1 -65.3 -58.4 -5.9 -13.7 18.5 289 301 A N H X S+ 0 0 87 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.772 112.4 55.3 -60.5 -27.6 -9.2 -12.6 17.1 290 302 A D H X S+ 0 0 71 -4,-1.3 4,-0.5 -5,-0.2 -1,-0.2 0.878 113.6 39.5 -73.7 -37.0 -7.3 -10.7 14.3 291 303 A T H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.3 3,-0.3 0.946 118.1 44.2 -78.0 -50.1 -5.5 -13.8 13.2 292 304 A I H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.905 113.5 51.5 -62.2 -42.0 -8.2 -16.4 13.5 293 305 A S H X S+ 0 0 36 -4,-1.4 4,-1.7 -5,-0.4 -1,-0.2 0.768 106.7 56.2 -67.5 -22.2 -10.8 -14.1 11.8 294 306 A V H X S+ 0 0 8 -4,-0.5 4,-2.5 -3,-0.3 5,-0.3 0.911 104.0 52.8 -73.3 -41.4 -8.2 -13.6 9.1 295 307 A G H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.919 112.0 44.3 -58.3 -45.4 -8.1 -17.4 8.5 296 308 A C H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.871 110.8 57.2 -67.2 -35.3 -11.9 -17.5 8.2 297 309 A A H X S+ 0 0 9 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.905 106.8 45.6 -62.8 -43.9 -11.7 -14.4 5.9 298 310 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.887 112.5 53.8 -68.4 -33.6 -9.3 -16.0 3.4 299 311 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.956 110.9 44.9 -62.9 -49.1 -11.6 -19.1 3.5 300 312 A R H <>S+ 0 0 55 -4,-2.8 5,-2.8 1,-0.2 -2,-0.2 0.927 116.3 45.2 -61.6 -45.3 -14.7 -17.0 2.7 301 313 A C H ><5S+ 0 0 6 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.871 112.8 50.5 -68.0 -36.7 -12.9 -15.0 -0.1 302 314 A M H 3<5S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.7 52.5 -67.2 -36.9 -11.4 -18.1 -1.6 303 315 A M T 3<5S- 0 0 13 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.167 133.8 -78.6 -87.9 19.3 -14.8 -19.8 -1.6 304 316 A G T < 5S+ 0 0 35 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.303 75.1 147.8 110.6 -11.9 -16.6 -17.0 -3.4 305 317 A E < - 0 0 58 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.3 -0.409 24.7-176.7 -64.2 126.2 -17.4 -14.2 -0.9 306 318 A T - 0 0 60 -2,-0.2 4,-0.1 2,-0.2 -1,-0.0 -0.817 36.0-128.4-123.0 162.5 -17.3 -10.8 -2.7 307 319 A L S S+ 0 0 157 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.824 94.1 36.0 -76.8 -33.2 -17.7 -7.2 -1.6 308 320 A L S S- 0 0 146 1,-0.2 -2,-0.2 -3,-0.0 0, 0.0 -0.567 109.0 -55.7-113.0 178.8 -20.4 -6.5 -4.2 309 321 A Y 0 0 226 -2,-0.2 -1,-0.2 1,-0.0 -2,-0.1 -0.208 360.0 360.0 -56.3 139.0 -23.3 -8.4 -5.8 310 322 A T 0 0 125 -4,-0.1 -4,-0.1 -3,-0.1 -1,-0.0 -0.991 360.0 360.0-149.2 360.0 -22.4 -11.7 -7.4 311 ! 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 0.0 312 403 A X 0 0 32 0, 0.0 -173,-0.2 0, 0.0 -175,-0.2 0.000 360.0 360.0 360.0 360.0 12.8 -21.6 8.2