==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-APR-03 1P33 . COMPND 2 MOLECULE: PTERIDINE REDUCTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA TARENTOLAE; . AUTHOR H.ZHAO,T.BRAY,M.OUELLETTE,M.ZHAO,R.A.FERRE,D.MATTHEWS, . 1076 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39407.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 755 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.8 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 . 0 0.0 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 . 69 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 381 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 0 0 0 0 4 0 0 1 6 4 5 4 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 12 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 5 A T 0 0 155 0, 0.0 90,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.8 -7.2 21.6 11.8 2 6 A A - 0 0 45 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.619 360.0 -99.4 -90.1 143.4 -5.1 22.5 14.9 3 7 A P - 0 0 48 0, 0.0 25,-4.1 0, 0.0 2,-0.4 -0.153 31.9-141.8 -56.1 143.8 -1.6 21.1 15.9 4 8 A V E -a 28 0A 0 23,-0.2 92,-2.6 25,-0.1 91,-1.4 -0.879 13.2-169.2-112.2 142.9 -1.4 18.3 18.5 5 9 A A E -ab 29 96A 0 23,-2.1 25,-2.7 -2,-0.4 2,-0.6 -0.996 9.8-154.6-134.3 124.9 1.4 18.0 21.1 6 10 A L E -ab 30 97A 0 90,-3.1 92,-2.9 -2,-0.4 2,-0.5 -0.906 14.7-174.1-100.1 119.5 1.9 14.9 23.3 7 11 A V E > -ab 31 98A 0 23,-2.1 25,-1.3 -2,-0.6 3,-1.1 -0.937 13.8-146.4-119.4 109.1 3.6 15.9 26.6 8 12 A T T 3 S+ 0 0 2 90,-2.0 92,-0.3 -2,-0.5 93,-0.3 -0.489 84.9 12.0 -74.6 141.2 4.7 13.0 28.9 9 13 A G T > S+ 0 0 18 91,-0.2 3,-0.7 -2,-0.2 6,-0.4 0.808 80.8 147.6 63.3 31.0 4.5 13.7 32.6 10 14 A A T < + 0 0 0 22,-1.5 23,-0.2 -3,-1.1 10,-0.1 0.347 37.0 102.7 -79.6 7.1 2.5 16.9 31.8 11 15 A A T 3 S- 0 0 8 21,-0.5 2,-0.2 4,-0.1 -1,-0.2 0.903 90.5 -22.9 -57.3 -45.5 0.6 16.5 35.1 12 16 A K S X> S+ 0 0 83 -3,-0.7 4,-2.2 31,-0.0 3,-0.8 -0.761 104.8 26.4-150.2-167.1 2.6 19.2 36.9 13 17 A R H 3> S- 0 0 75 1,-0.2 4,-0.5 -2,-0.2 196,-0.1 -0.158 123.3 -6.8 45.9-101.6 5.7 21.3 37.5 14 18 A L H 3> S+ 0 0 25 -2,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.849 135.5 53.1 -92.8 -41.5 7.4 21.7 34.1 15 19 A G H <> S+ 0 0 0 -3,-0.8 4,-3.6 -6,-0.4 5,-0.3 0.919 110.9 50.9 -58.6 -41.1 5.4 19.4 31.9 16 20 A S H X S+ 0 0 24 -4,-2.2 4,-2.2 -7,-0.3 -1,-0.2 0.882 111.9 46.9 -62.1 -39.5 2.4 21.3 33.1 17 21 A S H X S+ 0 0 24 -4,-0.5 4,-1.6 -5,-0.3 -2,-0.2 0.892 115.8 44.8 -69.8 -40.8 4.1 24.5 32.2 18 22 A I H X S+ 0 0 0 -4,-3.2 4,-2.6 2,-0.2 5,-0.3 0.934 113.5 49.5 -68.6 -48.1 5.2 23.2 28.8 19 23 A A H X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.949 112.4 47.5 -56.4 -51.0 1.8 21.7 28.0 20 24 A E H X S+ 0 0 70 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.860 111.9 51.7 -60.4 -35.7 -0.0 24.9 28.9 21 25 A A H X S+ 0 0 22 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.893 109.7 46.8 -69.6 -42.4 2.4 26.9 26.8 22 26 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 1,-0.2 3,-0.5 0.940 110.3 55.2 -63.6 -44.2 2.0 24.8 23.7 23 27 A H H ><5S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.890 105.1 53.5 -55.0 -40.7 -1.8 25.0 24.2 24 28 A A H 3<5S+ 0 0 69 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.856 100.7 59.0 -65.0 -35.1 -1.4 28.8 24.3 25 29 A E T 3<5S- 0 0 117 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.528 132.5 -92.9 -71.6 -2.4 0.4 28.8 20.9 26 30 A G T < 5S+ 0 0 27 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.2 0.356 81.5 141.7 108.6 -7.0 -2.7 27.1 19.6 27 31 A Y < - 0 0 29 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.3 -0.369 49.9-134.8 -68.3 146.9 -1.6 23.5 20.0 28 32 A T E -a 4 0A 7 -25,-4.1 -23,-2.1 -2,-0.1 2,-0.4 -0.892 34.4-143.8 -97.4 131.2 -4.2 21.0 21.1 29 33 A V E -ac 5 55A 0 25,-2.7 27,-1.6 -2,-0.5 2,-0.8 -0.877 22.0-154.9-119.3 137.6 -2.5 18.9 23.9 30 34 A C E -ac 6 56A 0 -25,-2.7 -23,-2.1 -2,-0.4 2,-1.1 -0.855 21.0-154.4 -99.1 108.3 -2.5 15.3 25.1 31 35 A L E -ac 7 57A 0 25,-3.2 27,-1.5 -2,-0.8 -23,-0.1 -0.688 10.8-169.3 -91.4 95.1 -1.5 15.3 28.7 32 36 A H E + c 0 58A 2 -25,-1.3 -22,-1.5 -2,-1.1 -21,-0.5 -0.475 12.2 166.9 -79.6 153.9 0.1 12.0 29.7 33 37 A Y E - c 0 59A 35 25,-2.2 27,-2.4 -24,-0.2 4,-0.1 -0.955 28.2-153.3-157.0 167.1 0.7 11.2 33.4 34 38 A H S S- 0 0 72 -2,-0.3 -1,-0.1 25,-0.2 27,-0.1 0.780 86.5 -10.7-111.5 -66.2 1.6 8.2 35.6 35 39 A R S S+ 0 0 215 1,-0.1 2,-3.1 25,-0.1 3,-0.3 0.748 110.8 88.2-106.6 -39.3 0.3 8.6 39.2 36 40 A S > + 0 0 37 1,-0.2 4,-1.9 2,-0.1 5,-0.2 -0.238 43.7 146.8 -64.6 60.7 -0.8 12.3 39.2 37 41 A A H > + 0 0 42 -2,-3.1 4,-2.0 2,-0.2 5,-0.2 0.927 68.0 54.4 -63.0 -46.8 -4.4 11.6 38.0 38 42 A A H > S+ 0 0 73 -3,-0.3 4,-2.1 1,-0.2 3,-0.2 0.956 111.4 43.1 -53.0 -57.3 -5.9 14.5 40.1 39 43 A D H > S+ 0 0 64 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.862 110.6 55.5 -57.5 -42.2 -3.5 17.2 38.7 40 44 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.898 110.4 45.4 -59.4 -43.0 -3.7 16.0 35.1 41 45 A S H X S+ 0 0 64 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.915 108.6 55.1 -68.1 -43.8 -7.5 16.3 35.1 42 46 A T H X S+ 0 0 91 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.866 112.3 45.6 -57.6 -36.8 -7.5 19.7 36.8 43 47 A L H X S+ 0 0 16 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.960 110.8 49.7 -71.2 -51.6 -5.3 20.9 34.0 44 48 A A H X S+ 0 0 10 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.858 110.2 55.6 -54.4 -34.3 -7.3 19.3 31.2 45 49 A A H X S+ 0 0 58 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.982 110.2 42.6 -61.7 -56.9 -10.3 21.0 32.9 46 50 A T H >X S+ 0 0 58 -4,-2.1 4,-1.1 1,-0.2 3,-0.8 0.921 116.8 47.4 -55.4 -50.1 -8.7 24.4 32.7 47 51 A L H >X S+ 0 0 0 -4,-3.2 4,-1.4 1,-0.3 3,-1.1 0.948 112.7 47.3 -60.6 -48.9 -7.4 23.9 29.2 48 52 A N H 3< S+ 0 0 53 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.597 107.6 60.6 -69.5 -7.4 -10.8 22.6 27.9 49 53 A A H << S+ 0 0 84 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.721 105.9 44.6 -88.2 -24.3 -12.4 25.5 29.7 50 54 A R H << S+ 0 0 126 -4,-1.1 -2,-0.2 -3,-1.1 -1,-0.1 0.699 136.0 6.9 -88.4 -22.6 -10.4 28.0 27.6 51 55 A R S >< S- 0 0 78 -4,-1.4 3,-1.1 -5,-0.2 -1,-0.3 -0.871 84.6-112.9-161.9 121.6 -11.2 26.0 24.4 52 56 A P T 3 S+ 0 0 123 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.231 97.6 2.6 -57.9 148.5 -13.4 23.0 23.9 53 57 A N T 3 S+ 0 0 89 -5,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.798 89.3 127.7 40.8 45.4 -11.7 19.8 23.1 54 58 A S < + 0 0 3 -3,-1.1 -25,-2.7 1,-0.2 2,-0.3 0.384 69.5 28.9-104.8 0.6 -8.2 21.3 23.3 55 59 A A E +c 29 0A 2 -27,-0.2 2,-0.3 -4,-0.1 -25,-0.2 -0.960 54.7 176.5-164.0 142.6 -6.9 18.7 25.7 56 60 A I E -c 30 0A 33 -27,-1.6 -25,-3.2 -2,-0.3 2,-0.3 -0.848 22.2-127.3-136.1 171.8 -7.2 15.1 26.8 57 61 A T E -c 31 0A 54 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.915 15.8-174.6-128.9 154.1 -5.4 12.8 29.2 58 62 A V E -c 32 0A 35 -27,-1.5 -25,-2.2 -2,-0.3 2,-0.4 -0.977 14.0-146.9-148.7 131.9 -3.6 9.5 29.2 59 63 A Q E +c 33 0A 99 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.831 29.4 152.5-102.6 133.7 -2.1 7.4 32.0 60 64 A A - 0 0 6 -27,-2.4 2,-0.6 -2,-0.4 -25,-0.1 -0.870 41.5-134.1-166.2 130.2 0.9 5.2 31.5 61 65 A D - 0 0 44 -2,-0.3 4,-0.2 1,-0.1 18,-0.1 -0.744 18.7-168.4 -81.4 120.3 3.8 3.8 33.5 62 66 A L + 0 0 7 -2,-0.6 69,-0.3 2,-0.1 -1,-0.1 0.405 46.4 122.1 -93.4 3.4 6.9 4.5 31.3 63 67 A S S S- 0 0 9 63,-0.2 2,-3.0 1,-0.1 60,-0.3 -0.418 81.1-106.5 -64.5 137.8 9.1 2.3 33.5 64 68 A N S S+ 0 0 62 58,-2.4 2,-0.3 57,-0.2 -1,-0.1 -0.345 82.2 112.7 -69.7 68.6 10.5 -0.5 31.4 65 69 A V S S- 0 0 61 -2,-3.0 2,-0.3 -4,-0.2 -4,-0.0 -0.934 70.8-102.9-136.5 159.1 8.3 -3.2 32.8 66 70 A A - 0 0 67 -2,-0.3 2,-0.3 9,-0.1 9,-0.2 -0.649 39.0-147.9 -85.8 137.9 5.5 -5.4 31.5 67 71 A T B -G 74 0B 41 7,-3.6 7,-3.4 -2,-0.3 -1,-0.0 -0.738 13.4-106.9-112.5 162.0 1.9 -4.5 32.4 68 72 A A 0 0 82 -2,-0.3 -1,-0.1 5,-0.3 -2,-0.0 0.820 360.0 360.0 -34.6 -85.9 -1.5 -6.2 33.1 69 73 A S 0 0 117 4,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.706 360.0 360.0 82.9 360.0 -4.4 -5.9 30.5 70 ! 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 71 80 A S 0 0 123 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-112.0 -4.9 -10.7 28.5 72 81 A V - 0 0 101 -3,-0.1 -5,-0.1 1,-0.1 0, 0.0 -0.019 360.0 -81.1 -51.3 148.8 -1.1 -10.9 28.1 73 82 A P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 -5,-0.3 -0.127 40.9-127.0 -51.4 147.9 1.2 -8.3 29.6 74 83 A V B -G 67 0B 37 -7,-3.4 -7,-3.6 -3,-0.1 -9,-0.1 -0.910 24.6-136.3-102.5 119.6 1.5 -5.0 27.7 75 84 A T > - 0 0 30 -2,-0.6 4,-2.1 -9,-0.2 5,-0.2 -0.215 25.1-106.7 -69.1 164.6 5.2 -4.2 27.1 76 85 A L H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.879 123.3 58.3 -60.9 -36.2 6.5 -0.7 27.6 77 86 A F H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.958 104.3 49.3 -57.0 -53.3 6.6 -0.5 23.8 78 87 A S H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.946 111.4 47.9 -51.2 -57.3 2.9 -1.2 23.5 79 88 A R H X S+ 0 0 27 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.924 114.6 48.7 -51.3 -46.3 1.9 1.4 26.1 80 89 A C H >X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 3,-0.9 0.979 113.5 42.9 -58.0 -62.9 4.2 3.9 24.3 81 90 A S H 3X S+ 0 0 31 -4,-3.2 4,-2.4 1,-0.3 -1,-0.2 0.867 112.9 55.4 -52.6 -37.4 2.9 3.2 20.8 82 91 A A H 3X S+ 0 0 52 -4,-3.1 4,-1.2 -5,-0.3 -1,-0.3 0.859 102.3 57.3 -65.0 -33.5 -0.6 3.2 22.2 83 92 A L H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 3,-1.3 0.941 109.5 56.0 -65.9 -47.5 0.9 8.1 20.2 85 94 A D H 3X S+ 0 0 47 -4,-2.4 4,-3.3 1,-0.3 -1,-0.2 0.744 97.3 65.2 -57.4 -24.5 -2.1 6.3 18.7 86 95 A A H 3X S+ 0 0 19 -4,-1.2 4,-2.1 -3,-0.2 -1,-0.3 0.890 101.1 49.2 -67.1 -37.4 -4.3 8.1 21.2 87 96 A C H S+ 0 0 0 -3,-1.3 4,-2.6 -4,-0.8 6,-1.0 0.919 115.6 42.7 -67.8 -40.7 -3.4 11.4 19.6 88 97 A Y H X5S+ 0 0 26 -4,-1.5 4,-1.1 4,-0.3 -2,-0.2 0.897 113.2 52.2 -72.0 -39.8 -4.2 10.1 16.2 89 98 A M H <5S+ 0 0 143 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.887 120.4 34.2 -62.9 -38.7 -7.4 8.4 17.3 90 99 A H H <5S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.936 140.5 9.5 -84.8 -50.5 -8.7 11.5 19.0 91 100 A W H <5S- 0 0 40 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.417 93.8-123.4-110.2 -1.7 -7.5 14.4 16.8 92 101 A G S <> 0 0 183 0, 0.0 3,-1.1 0, 0.0 2,-1.0 0.000 360.0 360.0 360.0-160.6 18.2 -4.8 48.7 114 133 A K T 34 + 0 0 101 1,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.646 360.0 58.9 -78.8 105.2 18.5 -6.1 45.2 115 134 A E T 3> S+ 0 0 148 -2,-1.0 4,-2.2 0, 0.0 5,-0.2 -0.474 99.6 64.3 174.1 -49.5 14.9 -5.8 44.0 116 135 A S H <> S+ 0 0 72 -3,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.892 106.2 43.0 -52.2 -43.5 15.3 -2.2 44.8 117 136 A L H X S+ 0 0 13 -4,-0.8 4,-2.7 2,-0.2 3,-0.3 0.960 108.7 52.7 -69.9 -54.3 18.0 -2.1 42.1 118 137 A E H > S+ 0 0 45 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.839 116.6 45.3 -49.7 -34.1 16.3 -4.2 39.3 119 138 A V H X S+ 0 0 74 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.788 108.6 51.7 -81.4 -34.5 13.4 -1.8 39.8 120 139 A A H X S+ 0 0 8 -4,-1.6 4,-3.4 -3,-0.3 5,-0.4 0.878 109.9 53.5 -70.6 -35.6 15.3 1.5 39.9 121 140 A A H X S+ 0 0 11 -4,-2.7 4,-2.6 2,-0.2 5,-0.5 0.959 111.9 41.9 -61.4 -53.3 17.0 0.4 36.6 122 141 A A H X S+ 0 0 16 -4,-1.5 -58,-2.4 -5,-0.2 4,-1.1 0.895 120.5 44.6 -62.8 -39.8 13.7 -0.2 34.8 123 142 A D H X S+ 0 0 40 -4,-2.2 4,-2.2 -60,-0.3 -20,-0.3 0.976 118.3 40.0 -69.4 -55.9 12.1 2.9 36.3 124 143 A L H X S+ 0 0 0 -4,-3.4 4,-1.2 1,-0.2 -21,-0.2 0.896 124.1 37.7 -63.3 -43.7 15.0 5.3 35.8 125 144 A F H X>S+ 0 0 8 -4,-2.6 5,-2.6 -5,-0.4 4,-1.6 0.752 114.5 59.0 -78.9 -24.6 16.1 4.0 32.3 126 145 A G H <>S+ 0 0 0 -4,-1.1 5,-3.2 -5,-0.5 -2,-0.2 0.994 111.7 34.3 -66.4 -61.9 12.5 3.5 31.3 127 146 A S H <5S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.811 125.9 41.2 -64.2 -33.2 11.2 7.0 31.8 128 147 A N H <5S- 0 0 2 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.717 134.5 -4.2 -90.8 -24.8 14.4 8.8 30.6 129 148 A A T X5S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.1 -3,-0.2 0.600 124.4 48.8-133.9 -61.0 15.6 6.7 27.7 130 149 A I H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.853 110.2 51.3 -52.9 -37.4 11.5 8.2 24.8 133 152 A Y H X S+ 0 0 1 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.998 112.8 42.0 -62.0 -66.6 13.0 5.8 22.2 134 153 A F H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.873 115.3 52.5 -47.7 -45.0 9.8 3.8 21.6 135 154 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.956 110.0 46.0 -58.7 -52.9 7.7 7.0 21.7 136 155 A I H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.940 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235 D F H > S+ 0 0 141 2,-0.2 4,-3.2 3,-0.1 5,-0.2 0.816 118.4 53.5 -98.3 -43.5 26.6 26.9 -8.2 1031 236 D S H > S+ 0 0 82 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.833 112.3 49.4 -61.2 -30.3 28.0 23.3 -8.5 1032 237 D V H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.964 110.5 46.6 -72.7 -54.3 30.0 24.1 -5.4 1033 238 D Q H X S+ 0 0 52 -4,-0.8 4,-2.7 1,-0.2 5,-0.3 0.910 113.0 52.8 -54.3 -42.1 27.0 25.4 -3.4 1034 239 D E H X S+ 0 0 31 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.972 107.1 49.9 -57.6 -55.1 25.1 22.4 -4.6 1035 240 D D H < S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.862 117.1 43.9 -52.4 -37.4 27.8 19.9 -3.4 1036 241 D Y H >< S+ 0 0 49 -4,-2.4 3,-2.9 1,-0.2 4,-0.4 0.995 111.9 46.1 -73.3 -65.6 27.7 21.7 -0.1 1037 242 D R H >< S+ 0 0 84 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.761 104.5 66.4 -50.8 -24.0 24.0 22.2 0.7 1038 243 D R T 3< S+ 0 0 171 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.462 92.1 62.0 -79.9 4.3 23.4 18.6 -0.4 1039 244 D K T < S+ 0 0 84 -3,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.589 79.0 99.0-100.5 -14.9 25.4 17.3 2.6 1040 245 D V <> - 0 0 1 -3,-0.9 4,-0.9 -4,-0.4 37,-0.1 -0.642 66.5-147.0 -78.4 121.0 23.1 18.8 5.2 1041 246 D P T 4 S+ 0 0 21 0, 0.0 2,-0.8 0, 0.0 36,-0.2 0.860 82.3 68.6 -55.4 -43.9 20.7 16.2 6.7 1042 247 D L T >4 S- 0 0 0 34,-2.8 3,-0.7 1,-0.2 -847,-0.1 -0.731 130.6 -25.5 -87.5 110.5 17.7 18.5 7.2 1043 248 D Y T 34 S- 0 0 46 -2,-0.8 -1,-0.2 -849,-0.4 3,-0.1 0.207 90.3-106.6 76.4 -14.2 16.3 19.7 3.8 1044 249 D Q T 3< S+ 0 0 93 -4,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.949 89.6 99.9 57.6 49.5 19.6 19.1 2.0 1045 250 D R S < S- 0 0 56 -3,-0.7 -1,-0.2 -5,-0.1 -24,-0.1 -0.974 76.7-104.0-161.0 150.1 20.2 22.9 1.8 1046 251 D N - 0 0 21 -2,-0.3 -24,-0.3 1,-0.1 -23,-0.1 -0.160 49.8 -94.2 -67.1 170.1 22.2 25.6 3.7 1047 252 D S - 0 0 1 -26,-3.2 2,-0.2 27,-0.1 -23,-0.2 -0.369 33.0-120.3 -84.2 169.2 20.3 27.9 6.0 1048 253 D S > - 0 0 47 -26,-0.1 4,-0.9 -25,-0.1 5,-0.2 -0.608 32.0-103.7-101.3 164.8 18.9 31.3 5.1 1049 254 D A H > S+ 0 0 24 -2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.835 122.9 53.4 -59.5 -27.7 20.0 34.5 6.8 1050 255 D E H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.955 96.8 58.8 -72.7 -51.7 16.6 34.3 8.6 1051 256 D E H 4 S+ 0 0 9 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.743 116.4 41.2 -50.2 -21.4 16.9 30.8 10.0 1052 257 D V H >X S+ 0 0 0 -4,-0.9 3,-1.1 -3,-0.2 4,-0.9 0.895 110.7 50.4 -93.3 -52.2 20.0 32.1 11.7 1053 258 D S H 3X S+ 0 0 3 -4,-2.4 4,-2.8 1,-0.3 3,-0.3 0.803 100.2 66.1 -59.8 -30.2 19.0 35.6 12.9 1054 259 D D H 3X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.3 -1,-0.3 0.880 97.9 55.0 -58.2 -36.7 15.9 34.3 14.6 1055 260 D V H <> S+ 0 0 0 -3,-1.1 4,-2.1 -5,-0.3 -1,-0.3 0.857 109.3 48.1 -64.5 -33.4 18.2 32.5 16.9 1056 261 D V H X S+ 0 0 0 -4,-0.9 4,-1.9 -3,-0.3 -2,-0.2 0.952 112.6 45.2 -71.7 -51.1 19.8 35.8 17.7 1057 262 D I H X S+ 0 0 20 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.845 114.3 51.7 -61.8 -32.8 16.5 37.7 18.2 1058 263 D F H < S+ 0 0 14 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.933 108.7 49.0 -68.0 -46.0 15.3 34.8 20.3 1059 264 D L H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.798 115.9 45.2 -61.8 -29.5 18.5 34.9 22.4 1060 265 D C H < S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.719 97.5 87.5 -87.2 -24.0 18.0 38.6 22.9 1061 266 D S S >< S- 0 0 28 -4,-1.7 3,-1.0 -5,-0.2 -3,-0.0 -0.224 92.9-108.6 -70.0 166.1 14.2 38.4 23.7 1062 267 D P G > S+ 0 0 87 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.647 108.0 84.7 -71.3 -14.7 13.0 37.9 27.3 1063 268 D K G 3 S+ 0 0 100 1,-0.3 -819,-0.1 -5,-0.1 -4,-0.1 0.415 99.9 37.3 -67.6 4.1 12.0 34.4 26.3 1064 269 D A G X S+ 0 0 3 -3,-1.0 3,-1.5 -5,-0.1 -1,-0.3 -0.037 72.2 127.9-145.6 33.7 15.6 33.5 27.1 1065 270 D K T < S+ 0 0 74 -3,-1.7 -2,-0.1 1,-0.3 -828,-0.0 0.665 74.6 54.8 -69.9 -15.0 16.6 35.6 30.0 1066 271 D Y T 3 S+ 0 0 2 -4,-0.2 -804,-1.4 -829,-0.1 2,-0.5 0.320 89.5 98.6 -99.4 9.6 17.8 32.6 32.0 1067 272 D I < + 0 0 0 -3,-1.5 2,-0.3 -806,-0.2 -807,-0.1 -0.854 41.4 136.0-104.7 126.9 20.2 31.5 29.2 1068 273 D T + 0 0 1 -2,-0.5 -805,-0.4 -55,-0.1 -807,-0.3 -0.977 56.3 31.0-161.8 152.4 23.9 32.4 29.3 1069 274 D G S S+ 0 0 6 -55,-2.8 2,-0.3 -2,-0.3 -54,-0.2 0.797 94.0 116.8 66.9 28.7 27.2 30.7 28.6 1070 275 D T - 0 0 9 -56,-0.4 -54,-2.6 -811,-0.1 2,-0.4 -0.930 55.3-142.4-131.7 154.0 25.5 28.5 26.0 1071 276 D C E -c 1016 0I 40 -2,-0.3 2,-0.6 -56,-0.2 -54,-0.2 -0.958 9.6-151.9-118.6 130.1 25.8 27.9 22.2 1072 277 D I E -c 1017 0I 0 -56,-2.6 -54,-1.6 -2,-0.4 2,-0.2 -0.871 12.6-144.1-104.7 113.2 22.8 27.2 19.9 1073 278 D K E +c 1018 0I 69 -2,-0.6 -819,-0.1 -816,-0.2 -817,-0.1 -0.520 18.9 179.0 -74.4 140.2 23.5 25.1 16.8 1074 279 D V E +c 1019 0I 0 -56,-2.0 -54,-1.3 -2,-0.2 -53,-0.2 -0.583 40.6 122.0-136.2 63.7 21.6 26.0 13.6 1075 280 D D S > S- 0 0 1 -821,-0.2 3,-1.8 -56,-0.2 -33,-0.2 0.358 75.2-120.4-115.8 7.6 23.1 23.4 11.3 1076 281 D G T 3 S- 0 0 0 -824,-1.5 -34,-2.8 1,-0.3 -32,-0.2 0.794 80.2 -56.8 58.8 25.9 20.2 21.3 10.0 1077 282 D G T > S+ 0 0 0 -823,-0.5 3,-1.4 -36,-0.2 4,-0.3 0.612 101.9 136.5 80.8 13.6 22.0 18.4 11.6 1078 283 D Y G X + 0 0 3 -3,-1.8 3,-1.5 1,-0.3 -266,-0.3 0.877 64.4 58.9 -62.1 -37.8 25.2 19.0 9.6 1079 284 D S G 3 S+ 0 0 7 1,-0.3 -1,-0.3 -268,-0.1 -3,-0.1 0.486 95.7 64.8 -73.0 1.0 27.5 18.4 12.6 1080 285 D L G < S+ 0 0 2 -3,-1.4 -1,-0.3 -370,-0.1 -2,-0.2 0.529 83.2 98.3 -96.9 -8.6 26.1 14.8 13.1 1081 286 D T < - 0 0 16 -3,-1.5 2,-0.3 -4,-0.3 -269,-0.2 -0.477 56.7-160.5 -80.1 150.3 27.5 13.7 9.7 1082 287 D R 0 0 47 -271,-0.2 -271,-0.2 -2,-0.2 -274,-0.1 -0.874 360.0 360.0-127.0 160.9 30.7 11.8 9.4 1083 288 D A 0 0 40 -276,-0.4 -271,-0.2 -2,-0.3 -315,-0.1 -0.226 360.0 360.0 -67.9 360.0 33.1 11.2 6.5 1084 !* 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 1085 351 A X 0 0 150 0, 0.0 -980,-0.1 0, 0.0 -871,-0.0 0.000 360.0 360.0 360.0 360.0 18.8 13.9 47.8 1086 !* 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 1087 352 B X 0 0 136 0, 0.0 -710,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 45.1 34.6 41.7 1088 !* 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 1089 353 C X 0 0 153 0, 0.0 -441,-0.0 0, 0.0 -332,-0.0 0.000 360.0 360.0 360.0 360.0 25.7 -3.0 8.4 1090 !* 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 1091 354 D X 0 0 159 0, 0.0 -173,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 38.1 27.5 -0.5