==== 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 TRANSFERASE 28-MAR-07 2PB2 . COMPND 2 MOLECULE: ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE AMINOTRAN . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR V.RAJARAM,P.RATNA PRASUNA,H.S.SAVITHRI,M.R.N.MURTHY . 760 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 549 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 11.1 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 4 0.5 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 . 37 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 6 2 2 2 0 0 2 2 0 3 3 0 0 0 0 4 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 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 0 0 PARALLEL BRIDGES PER LADDER . 2 4 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 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 24 A A 0 0 62 0, 0.0 444,-0.1 0, 0.0 332,-0.0 0.000 360.0 360.0 360.0 162.6 85.7 49.8 39.0 2 25 A D + 0 0 166 442,-0.1 2,-0.3 2,-0.0 442,-0.0 0.524 360.0 62.9 -90.1 -6.8 89.3 50.6 38.0 3 26 A F S S- 0 0 20 12,-0.0 442,-0.3 13,-0.0 333,-0.0 -0.843 72.8-137.3-118.0 157.7 90.3 46.9 37.9 4 27 A I - 0 0 30 -2,-0.3 12,-0.8 440,-0.1 2,-0.2 -0.929 15.8-140.3-118.6 106.7 89.1 44.0 35.7 5 28 A P E +A 15 0A 4 0, 0.0 442,-0.4 0, 0.0 10,-0.3 -0.445 26.4 169.2 -61.4 131.6 88.5 40.6 37.3 6 29 A V E + 0 0 35 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.612 60.8 25.9-116.3 -25.3 89.7 37.7 35.1 7 30 A K E -A 14 0A 90 7,-1.7 7,-2.9 2,-0.0 2,-0.3 -1.000 56.5-175.4-147.2 141.6 89.5 34.7 37.4 8 31 A G E +A 13 0A 0 428,-2.6 2,-0.3 -2,-0.3 5,-0.2 -0.996 6.8 175.2-136.9 144.5 87.6 33.5 40.4 9 32 A K E > -A 12 0A 107 3,-2.5 3,-1.6 -2,-0.3 2,-0.3 -0.897 68.6 -41.0-147.0 119.4 87.7 30.5 42.7 10 33 A G B 3 S-D 35 0B 32 25,-2.6 25,-2.9 -2,-0.3 27,-0.1 -0.495 124.0 -22.9 63.5-123.9 85.4 30.3 45.7 11 34 A S T 3 S+ 0 0 5 -2,-0.3 12,-3.2 23,-0.2 2,-0.4 0.071 119.5 91.6-107.5 22.7 85.4 33.7 47.4 12 35 A R E < -AB 9 22A 56 -3,-1.6 -3,-2.5 10,-0.2 2,-0.3 -0.958 52.8-171.3-120.9 140.5 88.7 34.9 45.9 13 36 A V E -AB 8 21A 3 8,-2.1 8,-3.2 -2,-0.4 2,-0.4 -0.947 8.5-153.4-131.9 145.5 89.1 36.9 42.7 14 37 A W E -AB 7 20A 59 -7,-2.9 -8,-3.0 -2,-0.3 -7,-1.7 -0.961 8.0-153.2-121.5 139.1 92.1 38.0 40.6 15 38 A D E > -A 5 0A 6 4,-1.5 3,-1.4 -2,-0.4 -12,-0.0 -0.257 44.1 -81.4 -93.9-171.5 92.4 40.9 38.2 16 39 A Q T 3 S+ 0 0 89 -12,-0.8 -13,-0.0 1,-0.3 -1,-0.0 0.739 129.9 52.9 -64.8 -26.0 94.7 41.4 35.2 17 40 A Q T 3 S- 0 0 148 -13,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.450 118.8-110.1 -88.5 -3.2 97.6 42.4 37.4 18 41 A G < + 0 0 49 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.518 63.4 157.1 84.8 5.9 97.2 39.2 39.4 19 42 A K - 0 0 88 1,-0.1 -4,-1.5 -5,-0.0 2,-0.4 -0.469 37.2-133.5 -65.5 131.8 96.0 41.1 42.5 20 43 A E E -B 14 0A 73 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.757 24.3-173.0 -95.7 131.3 94.0 38.9 44.8 21 44 A Y E -B 13 0A 6 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.5 -0.885 23.6-129.8-121.3 151.4 90.7 40.1 46.3 22 45 A I E -Bc 12 340A 0 317,-2.3 319,-3.2 -2,-0.3 2,-0.9 -0.896 27.7-136.8 -96.7 130.6 88.2 38.7 48.8 23 46 A D E + c 0 341A 8 -12,-3.2 332,-0.5 -2,-0.5 319,-0.1 -0.773 44.0 148.8 -98.3 100.8 84.7 38.7 47.5 24 47 A F S S+ 0 0 0 317,-2.1 329,-3.2 -2,-0.9 319,-0.2 0.225 74.3 61.5-104.3 9.9 82.0 39.9 49.9 25 48 A A S >> S- 0 0 7 327,-0.2 4,-2.4 317,-0.2 3,-0.8 0.768 77.0-159.8-104.1 -37.9 79.9 41.2 47.0 26 49 A G H 3>>S- 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-2.1 0.823 72.7 -61.1 57.6 37.2 79.1 38.1 45.0 27 50 A G H 345S- 0 0 13 3,-0.2 -1,-0.2 2,-0.2 415,-0.1 0.834 112.1 -40.3 58.8 36.9 78.3 40.1 41.8 28 51 A I H <45S- 0 0 37 -3,-0.8 -2,-0.2 1,-0.1 -1,-0.2 0.960 119.1 -43.4 68.3 62.6 75.5 41.7 43.9 29 52 A A H <5S+ 0 0 0 -4,-2.4 204,-0.4 324,-0.5 -2,-0.2 0.736 115.9 109.9 61.0 29.5 74.3 38.6 45.7 30 53 A V T <5 + 0 0 12 -4,-2.9 2,-2.3 -5,-0.2 206,-0.3 0.889 60.0 62.4 -97.0 -54.9 74.5 36.4 42.6 31 54 A T > < + 0 0 2 -5,-2.1 3,-1.3 1,-0.2 -1,-0.2 -0.474 60.5 163.1 -78.4 75.6 77.4 34.0 43.1 32 55 A A T 3 S+ 0 0 0 -2,-2.3 324,-3.2 1,-0.3 325,-0.4 0.609 77.6 38.6 -72.0 -16.6 75.8 32.3 46.2 33 56 A L T 3 S- 0 0 4 1,-0.4 -1,-0.3 322,-0.2 -23,-0.1 0.112 117.6-113.9-118.6 18.5 78.2 29.3 45.9 34 57 A G X - 0 0 4 -3,-1.3 3,-0.5 -25,-0.1 -1,-0.4 -0.198 53.2 -33.8 79.9-172.3 81.2 31.4 45.0 35 58 A H B 3 S-D 10 0B 10 -25,-2.9 -25,-2.6 1,-0.2 -23,-0.1 -0.674 119.2 -8.2 -89.4 136.5 83.2 31.4 41.7 36 59 A C T 3 S- 0 0 4 -2,-0.3 -1,-0.2 -27,-0.2 -2,-0.1 0.874 76.6-165.2 47.0 51.1 83.6 28.2 39.6 37 60 A H X> - 0 0 45 -3,-0.5 4,-2.8 199,-0.2 3,-0.7 -0.528 22.9-128.1 -64.0 126.7 82.1 25.9 42.3 38 61 A P H 3> S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.800 107.5 50.1 -51.0 -38.4 83.1 22.3 41.2 39 62 A A H 3> S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.865 113.8 44.5 -68.6 -37.9 79.5 21.1 41.3 40 63 A L H <> S+ 0 0 2 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.842 113.7 50.2 -75.8 -35.4 78.2 24.0 39.2 41 64 A V H X S+ 0 0 16 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.905 110.4 50.8 -64.5 -43.4 81.1 23.6 36.8 42 65 A E H X S+ 0 0 123 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.909 111.0 47.8 -61.4 -43.9 80.3 19.9 36.5 43 66 A A H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.895 112.5 49.4 -62.9 -43.2 76.6 20.6 35.8 44 67 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.898 114.8 44.4 -60.8 -45.1 77.6 23.2 33.2 45 68 A K H X S+ 0 0 51 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.889 114.8 47.2 -69.4 -42.7 80.0 20.8 31.4 46 69 A S H >< S+ 0 0 43 -4,-2.5 3,-0.5 2,-0.2 -2,-0.2 0.921 119.7 37.6 -69.0 -47.2 77.7 17.8 31.5 47 70 A Q H >X S+ 0 0 25 -4,-2.3 4,-2.4 -5,-0.2 3,-1.7 0.859 110.5 64.0 -70.7 -33.8 74.6 19.5 30.2 48 71 A G H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.676 105.0 44.9 -63.7 -20.3 76.8 21.6 27.9 49 72 A E T << S+ 0 0 110 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.346 120.0 42.5-101.3 3.2 77.8 18.5 26.0 50 73 A T T <4 S- 0 0 46 -3,-1.7 344,-2.6 1,-0.2 2,-0.3 0.798 125.8 -27.0-112.1 -61.2 74.2 17.2 25.9 51 74 A L < - 0 0 3 -4,-2.4 -1,-0.2 342,-0.2 -2,-0.1 -0.868 43.6-179.1-166.9 128.4 71.8 20.0 25.1 52 75 A W + 0 0 6 -2,-0.3 212,-1.9 1,-0.2 2,-0.4 0.867 65.9 28.9 -93.7 -47.2 71.8 23.8 25.6 53 76 A H + 0 0 26 210,-0.2 2,-0.3 209,-0.2 -1,-0.2 -0.954 41.9 165.2-136.3 134.7 68.6 25.1 24.3 54 77 A T - 0 0 12 -2,-0.4 207,-0.1 207,-0.1 6,-0.1 -0.961 37.0-118.7-130.8 151.9 64.9 24.3 23.6 55 78 A S > - 0 0 12 -2,-0.3 3,-1.3 1,-0.1 205,-0.1 -0.254 38.8 -94.4 -75.8 174.8 62.2 26.9 22.8 56 79 A N T 3 S+ 0 0 69 1,-0.3 204,-0.4 357,-0.1 -1,-0.1 0.545 118.3 76.7 -71.9 -6.9 59.2 27.3 25.1 57 80 A V T 3 S+ 0 0 39 327,-0.1 328,-2.3 202,-0.1 2,-0.3 0.857 99.7 47.1 -63.8 -37.4 57.2 24.9 22.9 58 81 A F S < S- 0 0 30 -3,-1.3 202,-0.3 326,-0.2 2,-0.2 -0.688 71.1-146.3-105.6 154.4 59.2 22.1 24.6 59 82 A T - 0 0 34 330,-0.3 2,-0.3 -2,-0.3 202,-0.1 -0.512 20.3-152.9 -96.2-179.1 60.0 21.2 28.1 60 83 A N > - 0 0 1 200,-0.2 4,-2.5 -2,-0.2 5,-0.2 -0.976 27.1-106.4-153.4 160.0 63.3 19.5 29.0 61 84 A E H > S+ 0 0 53 330,-0.4 4,-2.7 -2,-0.3 5,-0.2 0.888 116.8 49.8 -60.8 -45.0 64.6 17.2 31.8 62 85 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 113.8 46.9 -57.9 -42.0 66.7 19.8 33.6 63 86 A A H > S+ 0 0 0 198,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.890 113.1 49.2 -65.9 -41.7 63.7 22.2 33.7 64 87 A L H X S+ 0 0 57 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.909 113.2 46.6 -62.2 -45.4 61.3 19.4 34.8 65 88 A R H X S+ 0 0 139 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.910 114.6 45.7 -65.0 -45.0 63.7 18.4 37.6 66 89 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.895 112.2 52.0 -66.1 -41.9 64.3 21.9 38.9 67 90 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.929 110.0 48.8 -57.5 -48.3 60.6 22.7 38.7 68 91 A R H X S+ 0 0 59 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.872 110.5 51.4 -59.1 -41.2 59.8 19.6 40.8 69 92 A K H X S+ 0 0 65 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.906 112.7 44.6 -64.5 -43.4 62.5 20.6 43.3 70 93 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 6,-0.4 0.865 114.4 49.6 -68.7 -38.4 61.1 24.1 43.7 71 94 A I H < S+ 0 0 34 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.919 112.1 47.2 -65.8 -45.8 57.5 22.8 43.9 72 95 A D H < S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 117.1 43.8 -64.7 -31.6 58.3 20.2 46.6 73 96 A A H < S+ 0 0 33 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.2 0.587 117.5 34.7 -93.4 -14.0 60.3 22.7 48.7 74 97 A T S < S- 0 0 18 -4,-1.1 0, 0.0 -3,-0.4 0, 0.0 -0.666 92.0 -90.4-130.6-177.2 57.9 25.7 48.5 75 98 A F S S+ 0 0 37 -2,-0.2 -4,-0.1 169,-0.0 -3,-0.0 0.621 88.1 116.4 -66.4 -16.3 54.2 26.8 48.4 76 99 A A + 0 0 3 -6,-0.4 170,-0.2 1,-0.1 -2,-0.2 -0.201 36.3 172.0 -64.6 145.3 54.5 26.6 44.6 77 100 A E S S+ 0 0 91 168,-2.8 2,-0.3 1,-0.3 169,-0.2 0.452 76.2 35.7-119.2 -20.1 52.5 24.2 42.4 78 101 A R E -E 245 0C 79 167,-2.4 167,-2.2 -8,-0.1 2,-0.4 -0.991 66.6-164.3-137.7 143.3 53.6 25.8 39.1 79 102 A V E -Ef 244 258C 1 178,-1.8 180,-1.8 -2,-0.3 2,-0.5 -0.994 5.7-164.9-132.2 134.8 56.8 27.3 38.0 80 103 A L E -Ef 243 259C 26 163,-2.4 163,-2.7 -2,-0.4 2,-0.3 -0.986 17.5-148.9-116.5 124.7 57.7 29.5 35.0 81 104 A F E +E 242 0C 4 178,-2.3 180,-0.5 -2,-0.5 161,-0.3 -0.745 23.2 161.0 -97.1 140.6 61.4 29.9 34.1 82 105 A M E -E 241 0C 56 159,-2.6 159,-2.3 -2,-0.3 180,-0.2 -0.637 43.9-107.2-135.7-165.0 63.0 33.0 32.5 83 106 A N S S+ 0 0 38 157,-0.3 2,-0.3 -2,-0.2 159,-0.0 0.788 89.2 24.5-101.7 -36.1 66.5 34.5 32.1 84 107 A S S > S- 0 0 11 155,-0.2 4,-2.1 1,-0.1 -1,-0.2 -0.862 73.1-113.7-131.8 163.0 66.6 37.5 34.5 85 108 A G H > S+ 0 0 11 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.851 118.4 56.3 -60.8 -38.2 65.0 38.8 37.7 86 109 A T H > S+ 0 0 27 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 108.5 46.8 -57.7 -47.3 63.4 41.6 35.6 87 110 A E H > S+ 0 0 11 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.869 111.7 50.6 -63.7 -39.9 61.8 39.0 33.3 88 111 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.919 112.8 46.5 -63.0 -45.5 60.6 37.0 36.3 89 112 A N H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.868 109.4 54.3 -64.3 -39.8 59.1 40.2 37.7 90 113 A E H X S+ 0 0 8 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.940 110.9 46.4 -55.3 -48.8 57.6 41.1 34.3 91 114 A T H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 113.1 49.4 -62.2 -44.1 55.9 37.7 34.3 92 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 114.3 43.3 -60.6 -48.4 54.7 38.0 37.9 93 116 A F H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.894 114.5 49.8 -69.3 -41.5 53.2 41.5 37.4 94 117 A K H X S+ 0 0 16 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.895 112.4 49.6 -59.7 -41.5 51.6 40.6 34.1 95 118 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.924 109.7 48.7 -66.0 -47.1 50.1 37.5 35.7 96 119 A A H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.910 115.6 46.4 -58.3 -43.3 48.7 39.3 38.7 97 120 A R H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 115.3 44.6 -62.7 -47.3 47.1 41.8 36.3 98 121 A H H X S+ 0 0 40 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.861 110.6 54.2 -70.0 -37.0 45.8 39.1 33.9 99 122 A Y H X S+ 0 0 38 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.934 111.4 45.3 -59.7 -48.4 44.4 37.0 36.8 100 123 A A H X>S+ 0 0 2 -4,-1.9 5,-2.5 -5,-0.2 4,-1.3 0.876 112.1 53.6 -61.4 -39.9 42.5 40.1 38.1 101 124 A C H <5S+ 0 0 36 -4,-1.9 -2,-0.2 422,-0.2 -1,-0.2 0.925 119.8 29.6 -61.3 -48.9 41.3 40.9 34.6 102 125 A V H <5S+ 0 0 78 -4,-2.4 -2,-0.2 421,-0.2 -1,-0.2 0.755 125.7 42.2 -88.3 -27.4 39.8 37.4 33.8 103 126 A R H <5S+ 0 0 87 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.565 135.3 0.4 -97.5 -11.1 38.8 36.3 37.3 104 127 A H T <5S- 0 0 78 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.518 116.2 -32.2-137.2 -67.2 37.3 39.5 38.6 105 128 A S > < - 0 0 35 -5,-2.5 3,-1.5 3,-0.1 -2,-0.1 -0.940 35.7-126.5-167.5 140.0 37.2 42.7 36.4 106 129 A P T 3 S+ 0 0 81 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 0.660 113.4 59.8 -64.2 -13.6 39.2 44.4 33.6 107 130 A F T 3 S+ 0 0 139 -7,-0.1 2,-1.6 -6,-0.1 3,-0.3 0.485 75.5 97.9 -91.6 -6.0 39.1 47.5 35.9 108 131 A K < + 0 0 7 -3,-1.5 56,-0.2 1,-0.2 -3,-0.1 -0.630 47.8 125.1 -84.0 83.5 40.9 45.7 38.8 109 132 A T + 0 0 17 -2,-1.6 55,-0.2 54,-0.8 -1,-0.2 0.523 19.9 125.1-125.3 -14.1 44.3 47.1 37.9 110 133 A K E -g 164 0C 62 53,-2.6 55,-2.9 -3,-0.3 56,-1.6 -0.334 37.2-165.6 -62.0 127.3 45.8 48.9 40.9 111 134 A I E -gh 166 145C 2 33,-2.4 35,-3.0 54,-0.2 2,-0.5 -0.975 7.8-150.9-110.9 126.3 49.3 47.7 41.9 112 135 A I E +gh 167 146C 0 54,-2.8 56,-3.1 -2,-0.5 2,-0.2 -0.875 26.2 162.4 -98.9 124.6 50.6 48.8 45.3 113 136 A A E - h 0 147C 0 33,-3.2 35,-1.9 -2,-0.5 2,-0.3 -0.738 28.7-109.7-131.7-179.2 54.4 49.1 45.6 114 137 A F E > - h 0 148C 1 33,-0.3 3,-1.7 54,-0.3 16,-0.2 -0.865 27.1 -98.9-125.9 148.6 56.8 50.8 48.0 115 138 A H T 3 S+ 0 0 82 33,-2.1 35,-0.3 -2,-0.3 16,-0.2 -0.331 110.1 19.2 -58.1 141.8 59.2 53.7 48.0 116 139 A N T 3 S+ 0 0 91 14,-2.5 -1,-0.2 1,-0.2 15,-0.1 0.471 91.0 147.7 71.7 4.9 62.9 52.6 47.4 117 140 A A < - 0 0 0 -3,-1.7 13,-1.8 11,-0.1 2,-0.4 -0.428 33.3-159.0 -67.8 141.9 61.7 49.3 45.9 118 141 A F + 0 0 43 11,-0.2 56,-0.1 12,-0.1 57,-0.1 -0.992 27.7 152.3-123.2 125.4 63.8 47.8 43.1 119 142 A H - 0 0 4 1,-0.5 2,-0.2 -2,-0.4 -30,-0.2 0.281 64.0 -68.0-131.1 5.6 62.2 45.3 40.7 120 143 A G - 0 0 1 5,-0.2 -1,-0.5 1,-0.1 9,-0.2 -0.686 43.0 -90.1 127.7 178.5 64.2 45.7 37.5 121 144 A R S S+ 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T 3 S+ 0 0 49 1,-0.2 2,-1.0 -2,-0.1 -1,-0.2 0.492 91.3 123.2 70.1 7.3 56.8 49.0 56.4 152 175 A D <> + 0 0 60 -3,-1.6 4,-1.3 1,-0.2 -1,-0.2 -0.775 31.3 172.8-100.1 90.6 53.8 51.4 56.5 153 176 A L H > S+ 0 0 38 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.884 75.8 56.6 -64.7 -41.7 50.8 49.1 56.9 154 177 A H H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.867 104.0 53.8 -59.5 -39.4 48.3 51.9 57.4 155 178 A A H > S+ 0 0 16 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.888 109.6 48.3 -60.4 -42.0 49.3 53.5 54.1 156 179 A V H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 3,-0.3 0.938 110.5 50.1 -64.0 -50.0 48.7 50.2 52.3 157 180 A K H < S+ 0 0 132 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.880 109.7 54.2 -53.0 -41.0 45.3 49.8 54.0 158 181 A A H < S+ 0 0 72 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.9 37.9 -64.6 -38.7 44.4 53.4 52.9 159 182 A V H < S+ 0 0 44 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.673 96.0 96.3 -91.3 -19.1 45.2 52.9 49.2 160 183 A M < + 0 0 11 -4,-1.9 2,-0.2 -5,-0.1 7,-0.0 -0.475 43.9 144.9 -78.6 143.0 43.8 49.3 48.7 161 184 A D > - 0 0 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48.7 171 194 A P S S+ 0 0 0 0, 0.0 10,-2.5 0, 0.0 2,-0.4 0.855 99.5 19.0 -51.1 -35.7 60.5 40.9 52.0 172 195 A I E S-L 180 0D 2 31,-0.3 2,-1.1 8,-0.2 8,-0.2 -0.973 85.4-136.8-131.2 122.5 63.8 42.7 52.5 173 196 A Q E > +L 179 0D 2 6,-2.7 6,-1.8 -2,-0.4 5,-0.7 -0.676 26.8 178.5 -76.9 100.7 64.6 45.7 50.4 174 197 A G T >5S+ 0 0 0 -2,-1.1 4,-1.0 4,-0.2 3,-0.4 0.963 79.5 36.8 -70.5 -55.1 68.2 45.0 49.5 175 198 A E T 45S+ 0 0 52 1,-0.2 2,-1.4 2,-0.2 -1,-0.2 0.821 106.5 72.2 -66.5 -33.0 68.9 48.0 47.3 176 199 A G T 45S- 0 0 14 1,-0.1 -1,-0.2 -60,-0.1 3,-0.2 -0.256 134.8 -69.3 -82.2 48.6 66.8 50.2 49.5 177 200 A G T 45S- 0 0 9 -2,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.680 79.0 -77.5 77.4 21.0 69.2 50.3 52.4 178 201 A V S < - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.573 21.9-116.7 -78.3 151.7 58.4 43.8 60.1 183 206 A P H > S+ 0 0 97 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.916 115.7 49.7 -53.6 -47.5 56.3 40.8 61.0 184 207 A E H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 111.5 49.9 -59.9 -40.5 53.1 42.9 61.5 185 208 A F H > S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.950 114.6 41.4 -64.4 -51.4 53.6 44.6 58.1 186 209 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.897 117.2 47.9 -66.2 -41.6 54.2 41.5 56.1 187 210 A K H X S+ 0 0 116 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.888 110.5 53.6 -62.7 -41.0 51.3 39.6 57.8 188 211 A G H X S+ 0 0 8 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.866 103.3 56.2 -60.9 -40.3 49.1 42.7 57.3 189 212 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.888 107.4 49.4 -57.7 -42.4 49.9 42.6 53.6 190 213 A R H X S+ 0 0 31 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.919 111.7 48.3 -62.8 -45.6 48.6 39.0 53.5 191 214 A D H X S+ 0 0 72 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.882 113.1 47.2 -63.1 -41.0 45.4 40.0 55.3 192 215 A L H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.866 110.3 51.5 -71.5 -38.2 44.7 43.0 53.1 193 216 A C H <>S+ 0 0 1 -4,-2.2 5,-2.2 -5,-0.2 4,-0.4 0.890 111.3 49.3 -63.4 -39.9 45.3 41.0 49.9 194 217 A D H ><5S+ 0 0 96 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.921 112.2 48.4 -60.8 -46.0 42.8 38.4 51.2 195 218 A E H 3<5S+ 0 0 134 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 119.6 35.8 -64.3 -41.8 40.3 41.1 52.0 196 219 A H T 3<5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.1 -32,-0.2 0.281 108.0-118.2 -98.5 8.2 40.5 42.9 48.6 197 220 A Q T < 5 + 0 0 118 -3,-0.7 2,-0.3 -4,-0.4 -3,-0.2 0.868 67.5 141.5 52.7 41.2 41.0 39.8 46.5 198 221 A A < - 0 0 3 -5,-2.2 2,-0.4 -6,-0.2 -32,-0.3 -0.726 53.8-110.6-104.6 159.6 44.4 41.0 45.4 199 222 A L E -i 166 0C 11 -34,-2.7 -32,-2.0 -2,-0.3 2,-0.6 -0.795 19.3-136.1 -96.3 131.4 47.5 38.9 44.9 200 223 A L E -i 167 0C 0 -2,-0.4 26,-2.3 -34,-0.2 27,-2.0 -0.768 22.8-162.9 -84.5 118.1 50.5 39.3 47.3 201 224 A V E -ij 168 227C 0 -34,-3.3 -32,-2.8 -2,-0.6 2,-0.6 -0.918 4.0-160.4-111.4 116.4 53.7 39.3 45.1 202 225 A F E -ij 169 228C 0 25,-2.9 27,-2.2 -2,-0.6 2,-1.1 -0.851 6.7-154.0 -98.1 115.8 57.0 38.6 46.8 203 226 A D E + j 0 229C 7 -34,-2.6 -31,-0.3 -2,-0.6 4,-0.3 -0.796 27.5 160.9 -86.2 100.0 60.1 39.8 45.0 204 227 A E > + 0 0 0 25,-1.6 4,-1.4 -2,-1.1 27,-0.4 -0.087 31.5 120.3-109.8 31.4 62.8 37.4 46.3 205 228 A V T 4 S+ 0 0 18 25,-0.2 28,-0.5 2,-0.2 26,-0.4 0.912 92.6 20.4 -59.5 -43.2 65.3 38.0 43.4 206 229 A Q T 4 S+ 0 0 16 -3,-0.2 -1,-0.1 -34,-0.1 -2,-0.1 0.863 131.7 42.3 -92.3 -44.0 67.9 39.2 46.0 207 230 A C T 4>S+ 0 0 2 -4,-0.3 5,-0.8 -35,-0.2 10,-0.3 0.475 102.0 86.1 -87.3 -2.9 66.6 37.8 49.3 208 231 A G T ><5 + 0 0 1 -4,-1.4 3,-1.3 1,-0.2 8,-0.2 -0.183 62.1 48.6 -90.7-176.0 65.7 34.3 47.9 209 232 A M T 3 5S- 0 0 0 6,-0.7 7,-0.2 1,-0.2 6,-0.2 0.898 132.7 -42.0 48.5 54.3 67.5 31.0 47.3 210 233 A G T > 5S+ 0 0 0 5,-1.9 3,-1.7 4,-0.6 104,-0.3 0.204 102.2 123.8 90.9 -13.9 69.2 30.8 50.7 211 234 A R T < 5S+ 0 0 1 -3,-1.3 103,-2.3 4,-0.3 104,-0.2 0.831 80.2 39.9 -48.9 -43.0 70.3 34.4 51.2 212 235 A T T 3 > S- 0 0 0 -8,-0.2 3,-1.5 -7,-0.2 4,-0.6 -0.989 76.0-123.6-134.1 147.3 63.2 31.8 50.8 217 240 A A H >> S+ 0 0 0 -2,-0.3 4,-1.4 -10,-0.3 3,-0.8 0.799 107.5 67.4 -55.7 -34.1 62.6 34.8 53.1 218 241 A Y H 3>>S+ 0 0 20 1,-0.2 4,-2.1 2,-0.2 5,-1.4 0.806 93.5 60.2 -58.0 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-4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.888 107.7 53.5 -67.6 -40.0 58.9 17.0 5.4 755 397 B A H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.889 109.5 49.7 -59.2 -41.4 57.7 15.9 1.9 756 398 B Q H X S+ 0 0 109 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.933 109.7 50.8 -59.4 -48.8 56.5 12.7 3.5 757 399 B A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.871 108.8 51.5 -58.4 -41.3 54.7 14.7 6.2 758 400 B V H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.921 106.4 55.0 -60.9 -45.7 53.0 16.9 3.5 759 401 B G H X S+ 0 0 20 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.809 106.2 51.7 -56.9 -35.0 51.9 13.7 1.8 760 402 B K H < S+ 0 0 160 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.826 112.8 45.5 -70.2 -34.1 50.2 12.5 5.0 761 403 B V H < S+ 0 0 31 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.874 116.2 41.9 -77.6 -40.3 48.3 15.8 5.4 762 404 B V H < 0 0 34 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.1 0.716 360.0 360.0 -85.1 -23.0 47.1 16.3 1.8 763 405 B A < 0 0 124 -4,-1.2 -1,-0.1 -5,-0.2 -2,-0.1 0.937 360.0 360.0 -51.9 360.0 46.0 12.7 1.0