==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-APR-10 3MJY . COMPND 2 MOLECULE: DIHYDROOROTATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.P.PINHEIRO,J.R.ROCHA,J.CHELESKI,C.A.MONTANARI,M.C.NONATO . 612 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 0.7 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 . 31 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 2 0 0 2 4 1 1 0 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 9 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 PARALLEL BRIDGES PER LADDER . 2 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 0 0 2 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 G 0 0 106 0, 0.0 2,-0.3 0, 0.0 292,-0.0 0.000 360.0 360.0 360.0-177.4 -45.1 -18.1 -9.1 2 0 A S - 0 0 105 2,-0.0 2,-0.3 1,-0.0 0, 0.0 -0.539 360.0-172.9 -78.5 132.0 -47.0 -16.3 -11.8 3 1 A M - 0 0 57 -2,-0.3 2,-0.3 293,-0.0 293,-0.2 -0.892 5.0-168.9-122.5 156.9 -47.7 -12.6 -11.4 4 2 A S B -a 296 0A 47 291,-3.1 293,-0.5 -2,-0.3 12,-0.1 -0.981 24.3-166.9-149.0 134.6 -49.8 -10.1 -13.3 5 3 A L + 0 0 9 10,-0.4 291,-0.1 -2,-0.3 -1,-0.1 0.244 50.3 140.1 -95.7 7.6 -50.2 -6.4 -13.4 6 4 A Q - 0 0 92 10,-0.1 291,-0.4 11,-0.1 2,-0.4 -0.220 33.5-167.0 -56.7 140.8 -53.2 -6.9 -15.5 7 5 A V E -B 14 0B 5 7,-2.2 7,-3.1 9,-0.2 2,-0.5 -0.998 6.5-161.4-129.8 135.5 -56.2 -4.6 -14.7 8 6 A N E +B 13 0B 99 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.963 34.4 124.2-120.5 117.3 -59.7 -5.1 -16.0 9 7 A L E > +B 12 0B 13 3,-1.6 3,-1.9 -2,-0.5 -2,-0.1 -0.979 56.1 28.4-164.4 158.3 -62.0 -2.2 -15.9 10 8 A L T 3 S- 0 0 30 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.854 127.5 -62.8 53.3 39.8 -64.3 -0.1 -18.1 11 9 A N T 3 S+ 0 0 171 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.775 117.0 107.4 57.6 27.0 -64.8 -3.0 -20.4 12 10 A N E < -B 9 0B 51 -3,-1.9 -3,-1.6 84,-0.0 2,-0.4 -0.914 64.2-135.6-129.7 159.8 -61.1 -3.0 -21.1 13 11 A T E -B 8 0B 81 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.967 18.2-164.0-112.5 133.8 -58.0 -5.0 -20.3 14 12 A F E -B 7 0B 0 -7,-3.1 -7,-2.2 -2,-0.4 27,-0.1 -0.956 20.1-143.7-118.3 133.2 -54.9 -3.2 -19.3 15 13 A A S S- 0 0 75 -2,-0.4 -10,-0.4 26,-0.3 -1,-0.1 0.806 88.2 -8.0 -65.0 -29.6 -51.5 -5.0 -19.4 16 14 A N S S- 0 0 9 2,-0.2 -9,-0.2 -10,-0.1 -1,-0.1 -0.952 73.0-108.0-158.2 169.2 -50.6 -3.0 -16.3 17 15 A P S S+ 0 0 0 0, 0.0 247,-3.4 0, 0.0 2,-0.2 0.522 78.9 111.1 -83.6 -3.9 -52.1 -0.1 -14.3 18 16 A F E +c 264 0C 0 245,-0.2 24,-1.7 21,-0.2 23,-1.6 -0.469 31.8 145.6 -79.8 142.5 -49.5 2.5 -15.4 19 17 A M E -c 265 0C 0 245,-1.9 247,-1.9 22,-0.2 24,-0.2 -0.945 50.0 -87.1-154.9 171.0 -50.3 5.4 -17.6 20 18 A N E -c 266 0C 0 22,-0.4 2,-0.3 -2,-0.3 247,-0.2 -0.517 43.7-111.2 -75.4 153.2 -49.2 9.0 -17.9 21 19 A A > - 0 0 6 245,-2.3 3,-2.1 -2,-0.2 23,-0.1 -0.652 49.8 -88.8 -72.8 144.5 -50.9 11.6 -15.8 22 20 A A T 3 S+ 0 0 16 -2,-0.3 24,-0.2 1,-0.3 -1,-0.1 -0.251 115.3 26.1 -53.8 139.8 -52.9 13.9 -18.1 23 21 A G T 3 S+ 0 0 19 21,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.201 97.8 103.5 92.5 -17.0 -50.8 16.8 -19.4 24 22 A V S < S- 0 0 23 -3,-2.1 20,-0.2 1,-0.2 -1,-0.2 -0.896 101.0 -24.5-104.1 120.9 -47.5 15.0 -19.1 25 23 A M S S+ 0 0 28 -2,-0.6 -1,-0.2 1,-0.1 10,-0.2 0.857 115.9 91.5 53.6 48.4 -45.9 13.6 -22.3 26 24 A C + 0 0 0 -3,-0.2 20,-2.9 8,-0.1 -3,-0.1 0.017 50.1 94.0-161.2 29.9 -49.2 13.4 -24.2 27 25 A T S S+ 0 0 27 18,-0.2 50,-0.3 -4,-0.1 2,-0.2 0.831 80.1 48.5 -97.2 -41.6 -49.7 16.7 -26.0 28 26 A T S > S- 0 0 44 1,-0.1 4,-3.0 48,-0.1 5,-0.2 -0.587 86.6-110.0-102.2 162.6 -48.2 16.0 -29.4 29 27 A T H > S+ 0 0 42 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.930 121.3 52.5 -49.7 -47.7 -48.7 13.2 -31.9 30 28 A E H > S+ 0 0 141 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.901 110.1 47.5 -59.5 -42.9 -45.1 12.1 -31.1 31 29 A E H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 112.8 48.4 -64.5 -45.3 -45.8 12.1 -27.4 32 30 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.940 113.8 46.9 -60.6 -48.2 -49.1 10.1 -27.9 33 31 A V H X S+ 0 0 70 -4,-3.3 4,-2.7 -5,-0.2 -1,-0.2 0.921 112.1 50.5 -56.9 -46.4 -47.3 7.6 -30.1 34 32 A A H X S+ 0 0 37 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.859 110.9 48.7 -62.6 -37.5 -44.4 7.3 -27.7 35 33 A M H < S+ 0 0 0 -4,-2.6 5,-0.3 2,-0.2 -1,-0.2 0.902 112.5 49.3 -66.6 -41.9 -46.9 6.7 -24.8 36 34 A T H < S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.6 46.3 -62.1 -42.4 -48.6 4.1 -27.0 37 35 A E H < S+ 0 0 115 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.660 100.0 94.0 -77.1 -12.7 -45.4 2.4 -27.8 38 36 A S S < S- 0 0 21 -4,-0.8 238,-0.1 -5,-0.2 -3,-0.1 -0.154 92.9-105.3 -73.6 174.6 -44.3 2.5 -24.2 39 37 A A S S+ 0 0 42 236,-0.5 -21,-0.2 -24,-0.0 -1,-0.1 0.460 78.9 125.1 -76.8 -1.9 -44.8 -0.3 -21.6 40 38 A S - 0 0 4 -5,-0.3 -21,-0.2 235,-0.2 -25,-0.2 -0.217 66.8-132.3 -61.1 150.4 -47.6 1.7 -20.0 41 39 A G S S- 0 0 1 -23,-1.6 -26,-0.3 -27,-0.1 2,-0.3 0.749 83.7 -17.2 -72.9 -22.6 -51.0 -0.1 -19.6 42 40 A S - 0 0 0 -24,-1.7 -22,-0.4 53,-0.2 2,-0.3 -0.906 60.2-139.2-161.6-172.7 -52.6 3.0 -21.0 43 41 A L E -d 97 0C 0 53,-0.7 55,-2.5 -2,-0.3 2,-0.4 -0.976 5.8-148.2-155.8 159.8 -52.3 6.7 -21.7 44 42 A V E -d 98 0C 0 -2,-0.3 -21,-0.2 -20,-0.2 55,-0.2 -0.994 24.6-121.4-134.0 138.7 -54.3 9.8 -21.5 45 43 A S E -d 99 0C 2 53,-1.9 55,-0.5 -2,-0.4 -18,-0.2 -0.396 44.0 -80.0 -77.1 157.6 -54.1 12.7 -23.9 46 44 A K E - 0 0 19 -20,-2.9 -1,-0.1 -24,-0.2 54,-0.1 -0.310 61.3 -90.0 -53.2 137.2 -53.2 16.3 -22.7 47 45 A S E - 0 0 4 54,-0.1 54,-0.3 -3,-0.1 2,-0.3 -0.300 57.7-148.2 -52.2 125.6 -56.3 18.0 -21.2 48 46 A C E -d 101 0C 0 52,-1.9 54,-2.9 -3,-0.1 -1,-0.1 -0.662 19.9-158.7-109.5 154.6 -57.8 19.7 -24.2 49 47 A T - 0 0 2 2,-0.3 30,-2.2 -2,-0.3 54,-0.1 -0.746 44.8 -96.8-114.4 168.4 -59.8 22.8 -24.8 50 48 A P S S+ 0 0 50 0, 0.0 30,-0.7 0, 0.0 2,-0.3 0.891 108.6 31.5 -56.0 -38.7 -62.0 23.3 -27.9 51 49 A A S S- 0 0 65 27,-0.2 27,-0.4 28,-0.1 -2,-0.3 -0.824 103.0 -81.2-117.1 156.0 -59.2 25.2 -29.7 52 50 A L - 0 0 123 25,-0.5 2,-0.4 -2,-0.3 25,-0.2 -0.163 45.7-158.1 -43.4 139.7 -55.4 25.0 -29.6 53 51 A R B -J 76 0D 80 23,-2.7 23,-1.7 1,-0.1 25,-0.1 -0.998 19.1-154.6-130.5 133.4 -53.9 26.9 -26.6 54 52 A E - 0 0 174 -2,-0.4 2,-0.1 21,-0.2 -1,-0.1 0.791 40.5-149.1 -72.5 -28.9 -50.4 28.2 -26.4 55 53 A G - 0 0 18 19,-0.2 18,-0.3 18,-0.2 -1,-0.2 -0.378 35.7 -27.0 86.2-170.0 -50.5 28.0 -22.6 56 54 A N S S- 0 0 42 16,-3.4 4,-0.1 15,-0.2 15,-0.0 -0.290 73.2 -87.9 -79.2 161.9 -48.7 30.2 -20.2 57 55 A P - 0 0 69 0, 0.0 151,-0.3 0, 0.0 -1,-0.1 -0.341 66.6 -70.2 -62.4 150.4 -45.4 32.1 -20.7 58 56 A T S S+ 0 0 96 150,-0.1 2,-0.1 149,-0.1 149,-0.1 -0.548 109.0 52.6 -93.9 158.1 -42.2 30.1 -19.8 59 57 A P + 0 0 55 0, 0.0 149,-3.4 0, 0.0 3,-0.1 0.532 69.0 142.4 -70.2 142.9 -40.7 29.0 -17.6 60 58 A R + 0 0 52 1,-0.3 11,-3.0 147,-0.2 2,-0.3 0.345 60.6 47.3-133.1 0.4 -44.0 27.3 -16.6 61 59 A Y E -K 70 0E 60 9,-0.2 2,-0.4 145,-0.2 -1,-0.3 -0.990 59.6-178.8-141.5 137.7 -42.6 24.0 -15.4 62 60 A Q E -K 69 0E 78 7,-2.6 7,-1.9 -2,-0.3 2,-0.2 -0.966 20.5-140.6-140.9 121.7 -39.7 23.3 -13.0 63 61 A A E -K 68 0E 27 -2,-0.4 5,-0.3 5,-0.2 -2,-0.0 -0.586 28.1-171.2 -71.2 143.7 -38.4 20.0 -11.9 64 62 A L E > -K 67 0E 29 3,-3.1 3,-1.8 -2,-0.2 -2,-0.0 -0.929 38.7-104.7-136.4 158.9 -37.4 20.0 -8.2 65 63 A P T 3 S+ 0 0 124 0, 0.0 154,-0.1 0, 0.0 -1,-0.1 0.868 123.9 36.6 -53.6 -37.4 -35.6 17.6 -5.9 66 64 A L T 3 S- 0 0 30 152,-0.1 154,-1.6 153,-0.1 2,-0.3 0.289 133.7 -67.5-101.5 10.6 -39.0 16.7 -4.3 67 65 A G E < -K 64 0E 1 -3,-1.8 -3,-3.1 151,-0.3 2,-0.3 -0.917 66.9 -62.2 151.2-124.6 -41.1 16.9 -7.4 68 66 A S E -KL 63 217E 3 149,-1.9 149,-2.1 -2,-0.3 2,-0.4 -0.985 21.3-146.5-158.7 161.3 -42.3 19.6 -9.7 69 67 A I E +KL 62 216E 0 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.3 -0.996 25.8 171.6-133.4 141.6 -44.2 22.8 -10.0 70 68 A N E +KL 61 215E 44 145,-1.7 145,-2.6 -2,-0.4 -9,-0.2 -0.999 33.2 177.2-148.2 148.7 -46.1 23.9 -13.0 71 69 A S + 0 0 15 -11,-3.0 -15,-0.2 -2,-0.3 -10,-0.1 -0.570 25.9 160.2-137.3 69.0 -48.5 26.5 -14.3 72 70 A M - 0 0 47 -17,-0.1 -16,-3.4 1,-0.1 -11,-0.1 0.896 40.1-140.9 -62.0 -40.6 -48.6 25.2 -17.9 73 71 A G - 0 0 21 -18,-0.3 -18,-0.2 1,-0.1 -1,-0.1 0.839 55.9 -67.2 82.3 34.8 -51.9 27.0 -18.6 74 72 A L - 0 0 31 1,-0.2 2,-0.4 -19,-0.1 -19,-0.2 0.858 65.1-174.6 55.7 44.3 -53.5 24.2 -20.6 75 73 A P + 0 0 14 0, 0.0 2,-0.3 0, 0.0 -21,-0.2 -0.590 25.3 146.8 -64.9 127.9 -51.2 24.3 -23.7 76 74 A N B -J 53 0D 2 -23,-1.7 -23,-2.7 -2,-0.4 3,-0.1 -0.980 61.7-114.4-161.4 162.1 -52.8 21.8 -26.0 77 75 A N - 0 0 54 -50,-0.3 -25,-0.5 -2,-0.3 4,-0.3 0.427 69.0-102.5 -84.1 2.1 -53.4 21.1 -29.6 78 76 A G > - 0 0 2 -27,-0.4 4,-1.6 -31,-0.1 3,-0.5 0.065 34.7 -77.6 90.8 154.2 -57.2 21.5 -29.2 79 77 A F H > S+ 0 0 2 -30,-2.2 4,-3.3 1,-0.2 5,-0.3 0.881 124.4 59.4 -55.0 -45.8 -60.0 19.1 -29.0 80 78 A D H > S+ 0 0 90 -30,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.914 106.2 51.6 -52.7 -41.4 -60.2 18.3 -32.8 81 79 A F H > S+ 0 0 51 -3,-0.5 4,-2.6 -4,-0.3 -1,-0.2 0.943 114.2 39.0 -62.1 -52.5 -56.6 17.1 -32.5 82 80 A Y H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.868 116.4 53.8 -67.9 -33.6 -57.0 14.7 -29.6 83 81 A L H X S+ 0 0 17 -4,-3.3 4,-2.9 -5,-0.2 -2,-0.2 0.927 110.2 46.3 -64.3 -43.3 -60.4 13.7 -31.0 84 82 A A H X>S+ 0 0 23 -4,-2.9 4,-3.2 -5,-0.3 5,-1.0 0.890 110.6 52.8 -67.9 -40.4 -58.7 12.8 -34.4 85 83 A Y H X>S+ 0 0 4 -4,-2.6 5,-3.2 -5,-0.2 4,-1.0 0.948 114.5 42.6 -57.2 -47.3 -56.0 11.0 -32.6 86 84 A A H <5S+ 0 0 0 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.871 122.0 40.0 -64.7 -41.2 -58.6 8.9 -30.7 87 85 A A H <5S+ 0 0 24 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.886 133.7 11.7 -76.6 -39.6 -60.8 8.4 -33.9 88 86 A E H <5S+ 0 0 151 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.718 127.9 31.5-116.4 -33.2 -58.2 7.8 -36.6 89 87 A Q T <> - 0 0 64 1,-0.2 3,-1.8 -2,-0.1 4,-1.2 -0.717 22.2-177.8 -87.3 94.4 -53.8 1.9 -32.0 92 90 A Y T 34 S+ 0 0 52 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.678 78.0 73.1 -67.8 -15.2 -56.4 0.5 -29.6 93 91 A G T 34 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.784 100.2 44.8 -65.1 -27.9 -54.8 -2.9 -30.2 94 92 A K T <4 S- 0 0 98 -3,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.913 131.2 -33.1 -83.0 -46.4 -51.9 -1.8 -28.1 95 93 A K < - 0 0 13 -4,-1.2 -1,-0.3 -81,-0.1 -53,-0.2 -0.969 67.1 -85.7-169.8 155.4 -53.7 -0.2 -25.2 96 94 A P - 0 0 6 0, 0.0 -53,-0.7 0, 0.0 2,-0.4 -0.286 42.2-136.2 -64.7 158.5 -56.9 1.7 -24.3 97 95 A L E -d 43 0C 1 27,-0.2 29,-2.6 -55,-0.2 2,-0.4 -0.973 11.4-160.5-122.2 133.6 -56.8 5.4 -24.6 98 96 A F E -de 44 126C 0 -55,-2.5 -53,-1.9 -2,-0.4 2,-0.5 -0.870 9.1-151.8-104.7 143.8 -58.2 8.1 -22.3 99 97 A L E -de 45 127C 0 27,-2.9 29,-3.0 -2,-0.4 2,-0.5 -0.975 9.3-148.2-116.6 121.0 -58.9 11.5 -23.5 100 98 A S E - e 0 128C 0 -55,-0.5 -52,-1.9 -2,-0.5 2,-0.5 -0.775 13.9-166.3 -93.1 131.9 -58.6 14.3 -21.0 101 99 A M E +de 48 129C 0 27,-2.0 29,-2.7 -2,-0.5 -52,-0.1 -0.955 18.5 168.8-122.1 133.3 -60.9 17.2 -21.4 102 100 A S - 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0 0 36 -29,-2.7 -1,-0.1 1,-0.2 54,-0.1 -0.237 68.0 -60.5 -71.3 178.7 -54.3 16.7 -9.8 191 196 A S - 0 0 30 1,-0.1 2,-0.7 -29,-0.1 -1,-0.2 -0.146 58.6 -95.6 -59.3 157.7 -51.4 18.7 -8.5 192 197 A I E > -M 216 0E 2 24,-2.2 24,-3.1 -30,-0.1 3,-0.6 -0.723 61.5-113.4 -73.2 117.3 -51.5 20.2 -5.0 193 198 A G E 3 S- 0 0 9 -2,-0.7 22,-0.2 22,-0.2 281,-0.1 -0.164 72.2 -6.6 -66.4 142.4 -52.7 23.7 -6.2 194 199 A N E 3 S+ 0 0 20 -124,-0.2 21,-0.2 1,-0.1 -1,-0.2 0.830 71.2 163.8 51.4 48.4 -50.8 26.9 -6.0 195 200 A G E < -M 214 0E 0 19,-2.7 19,-2.3 -3,-0.6 2,-0.4 -0.407 31.5-134.5 -75.3 171.2 -47.7 26.0 -4.1 196 201 A L E -M 213 0E 0 335,-1.9 2,-0.5 17,-0.2 338,-0.2 -0.927 13.6-161.5-137.6 108.0 -44.9 28.6 -4.4 197 202 A V - 0 0 13 15,-0.7 9,-0.7 -2,-0.4 2,-0.4 -0.798 8.2-167.9 -89.2 129.6 -41.4 27.4 -5.0 198 203 A I E -N 205 0F 10 -2,-0.5 2,-0.7 7,-0.2 7,-0.3 -0.978 16.7-140.5-120.1 129.7 -38.7 29.9 -4.2 199 204 A D E >> -N 204 0F 63 5,-3.3 4,-1.6 -2,-0.4 5,-1.1 -0.815 8.7-157.9 -89.0 114.5 -35.1 29.4 -5.3 200 205 A A T 45S+ 0 0 6 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.826 90.4 56.4 -65.4 -31.0 -33.0 30.6 -2.4 201 206 A E T 45S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.948 119.8 28.0 -63.9 -49.0 -30.0 31.1 -4.7 202 207 A T T 45S- 0 0 59 2,-0.2 -2,-0.2 411,-0.0 -1,-0.2 0.524 97.0-134.3 -92.2 -7.4 -31.9 33.5 -7.0 203 208 A E T <5S+ 0 0 36 -4,-1.6 410,-2.6 1,-0.2 2,-0.3 0.850 71.7 104.9 52.7 39.3 -34.3 34.8 -4.4 204 209 A S E S+ 0 0 86 -149,-3.4 3,-0.7 -2,-0.3 407,-0.2 0.892 70.2 80.7 -85.3 -43.7 -43.3 32.9 -14.6 209 214 A P G > S+ 0 0 10 0, 0.0 3,-2.2 0, 0.0 4,-0.2 -0.223 99.2 11.3 -64.5 153.1 -47.1 32.7 -14.6 210 215 A K G > S- 0 0 74 1,-0.3 3,-2.2 2,-0.2 -2,-0.1 0.766 126.6 -65.7 58.0 36.5 -49.1 33.7 -11.5 211 216 A Q G < S- 0 0 80 -3,-0.7 -1,-0.3 1,-0.3 -3,-0.1 0.738 101.1 -52.8 57.9 23.8 -46.2 35.3 -9.6 212 217 A G G < S+ 0 0 0 -3,-2.2 -15,-0.7 1,-0.3 2,-0.3 0.378 102.4 136.3 95.8 -2.8 -44.6 31.8 -9.3 213 218 A F E < + M 0 196E 1 -3,-2.2 -1,-0.3 -4,-0.2 2,-0.3 -0.620 25.4 144.1 -80.4 135.3 -47.6 30.0 -7.9 214 219 A G E - M 0 195E 2 -19,-2.3 -19,-2.7 -2,-0.3 -143,-0.2 -0.974 51.1 -71.3-163.7 168.5 -48.2 26.6 -9.5 215 220 A G E -L 70 0E 8 -145,-2.6 -145,-1.7 -2,-0.3 2,-0.4 -0.484 44.0-136.6 -72.4 134.9 -49.4 23.1 -9.0 216 221 A L E +LM 69 192E 0 -24,-3.1 -24,-2.2 -2,-0.2 2,-0.3 -0.738 28.4 169.8 -92.1 137.6 -47.1 20.8 -7.0 217 222 A G E > +L 68 0E 11 -149,-2.1 -149,-1.9 -2,-0.4 3,-0.6 -0.813 37.2 37.7-130.5 174.3 -46.5 17.3 -8.3 218 223 A G G > S- 0 0 2 -151,-0.3 3,-2.0 -2,-0.3 4,-0.5 -0.504 113.5 -5.2 92.0-148.8 -44.0 14.5 -7.3 219 224 A R G > S+ 0 0 110 1,-0.3 3,-0.8 -153,-0.2 -1,-0.2 0.779 125.0 65.8 -58.9 -31.5 -42.7 13.6 -3.9 220 225 A Y G < S+ 0 0 24 -154,-1.6 -1,-0.3 -3,-0.6 4,-0.2 0.776 105.9 41.9 -53.9 -33.0 -44.5 16.5 -2.3 221 226 A V G <> S+ 0 0 2 -3,-2.0 4,-3.4 1,-0.1 -1,-0.2 0.441 80.1 100.0-105.9 -4.0 -47.9 15.1 -3.1 222 227 A L H <> S+ 0 0 22 -3,-0.8 4,-3.4 -4,-0.5 5,-0.3 0.930 87.2 43.4 -59.6 -52.0 -47.8 11.4 -2.4 223 228 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 281,-1.5 0.880 116.6 49.3 -61.8 -34.4 -49.4 11.3 1.0 224 229 A T H > S+ 0 0 2 279,-0.2 4,-2.5 -4,-0.2 -2,-0.2 0.930 112.6 47.8 -66.3 -42.9 -52.1 13.7 -0.2 225 230 A A H X S+ 0 0 0 -4,-3.4 4,-3.2 2,-0.2 5,-0.3 0.957 112.9 47.7 -61.2 -49.9 -52.6 11.5 -3.3 226 231 A L H X S+ 0 0 2 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.916 110.7 52.8 -58.1 -43.5 -52.9 8.4 -1.2 227 232 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -5,-0.3 -1,-0.2 0.950 114.2 42.1 -55.0 -49.2 -55.3 10.2 1.2 228 233 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.4 0.926 112.9 51.5 -70.3 -41.6 -57.5 11.2 -1.7 229 234 A I H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.953 117.8 40.1 -55.8 -49.7 -57.3 7.8 -3.5 230 235 A N H X S+ 0 0 1 -4,-3.0 4,-2.6 -5,-0.3 5,-0.2 0.894 111.2 56.2 -70.1 -40.1 -58.2 6.1 -0.3 231 236 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 -5,-0.3 -1,-0.2 0.924 116.9 36.3 -58.5 -43.8 -60.9 8.7 0.8 232 237 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.828 110.3 61.4 -82.3 -31.2 -62.7 8.2 -2.5 233 238 A Y H < S+ 0 0 85 -4,-2.5 -2,-0.2 -5,-0.4 -1,-0.2 0.931 113.5 38.6 -54.0 -45.4 -62.0 4.5 -2.7 234 239 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.893 121.6 42.2 -70.7 -43.3 -63.9 4.2 0.6 235 240 A R H < S+ 0 0 45 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.622 117.2 44.6 -86.2 -16.8 -66.7 6.8 -0.2 236 241 A C >< + 0 0 0 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.520 61.6 159.8-124.3 65.2 -67.3 5.8 -3.8 237 242 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.718 73.5 61.8 -63.2 -19.0 -67.5 2.0 -3.6 238 243 A G T 3 S+ 0 0 57 -3,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.525 102.4 65.1 -79.7 -4.0 -69.4 2.0 -6.9 239 244 A K S < S- 0 0 20 -3,-2.5 2,-0.2 -7,-0.2 -54,-0.2 -0.807 78.8-118.1-124.5 155.5 -66.5 3.6 -8.7 240 245 A L E -h 185 0C 45 -56,-3.2 -54,-2.1 -2,-0.3 2,-0.5 -0.629 25.1-144.5 -82.4 149.9 -62.9 2.9 -9.7 241 246 A I E -hi 186 261C 1 19,-0.5 21,-3.8 -2,-0.2 22,-0.7 -0.968 6.4-159.4-113.7 130.3 -60.2 5.1 -8.3 242 247 A F E -hi 187 263C 0 -56,-3.1 -54,-2.9 -2,-0.5 2,-0.3 -0.951 18.4-137.5-102.8 133.9 -57.2 6.0 -10.5 243 248 A G E +hi 188 264C 0 20,-3.3 22,-3.4 -2,-0.5 2,-0.3 -0.676 27.5 169.2 -90.5 144.5 -54.2 7.1 -8.5 244 249 A C E + i 0 265C 8 -56,-2.4 22,-0.1 -2,-0.3 -15,-0.1 -0.923 32.6 74.2-152.5 126.8 -52.1 10.0 -9.6 245 250 A G S S+ 0 0 10 20,-0.8 -19,-0.1 -2,-0.3 -1,-0.1 0.121 88.5 6.0 135.6 111.8 -49.4 11.8 -7.5 246 251 A G S S+ 0 0 7 1,-0.2 2,-0.7 -21,-0.1 3,-0.2 0.625 71.1 151.7 77.7 15.6 -45.9 11.1 -6.4 247 252 A V + 0 0 4 18,-0.3 22,-0.4 1,-0.2 -1,-0.2 -0.709 8.3 136.8 -85.4 113.6 -45.3 7.9 -8.3 248 253 A Y + 0 0 48 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.470 67.2 33.2-121.1 -20.7 -41.6 7.5 -9.0 249 254 A T S > S- 0 0 46 -3,-0.2 4,-2.2 1,-0.1 -1,-0.2 -0.906 82.2-107.7-135.3 162.0 -41.2 3.8 -8.2 250 255 A G H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.853 121.4 57.7 -54.9 -33.9 -43.0 0.5 -8.2 251 256 A E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.932 104.6 49.5 -67.1 -41.6 -43.2 0.8 -4.4 252 257 A D H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 111.9 49.2 -56.1 -46.5 -45.0 4.2 -4.8 253 258 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 107.1 54.9 -60.1 -43.2 -47.4 2.5 -7.2 254 259 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.917 106.9 51.4 -57.0 -45.8 -47.8 -0.3 -4.8 255 260 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.912 108.6 51.6 -55.7 -46.3 -48.9 2.3 -2.2 256 261 A H H X>S+ 0 0 0 -4,-2.2 5,-2.8 2,-0.2 4,-0.9 0.933 112.4 45.0 -55.7 -47.6 -51.4 3.8 -4.7 257 262 A V H ><5S+ 0 0 0 -4,-2.6 45,-2.8 3,-0.2 3,-0.9 0.926 110.6 53.4 -68.4 -40.0 -52.9 0.4 -5.3 258 263 A L H 3<5S+ 0 0 0 -4,-3.0 46,-1.9 43,-0.3 -1,-0.2 0.892 106.8 53.6 -57.3 -39.2 -53.0 -0.4 -1.6 259 264 A A H 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.701 137.2 -85.6 -70.3 -20.9 -54.8 2.8 -1.0 260 265 A G T <<5S+ 0 0 1 -3,-0.9 -19,-0.5 -4,-0.9 -3,-0.2 0.394 74.4 152.3 134.9 -1.7 -57.3 1.7 -3.6 261 266 A A E < - 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