==== 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 23-DEC-97 2DAP . COMPND 2 MOLECULE: DIAMINOPIMELIC ACID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR G.SCAPIN,M.CIRILLI,S.G.REDDY,Y.GAO,J.C.VEDERAS,J.S.BLANCHARD . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.3 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 . 1 0.3 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 . 29 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 2 1 2 2 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 2 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 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 M 0 0 141 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.6 3.9 34.4 39.2 2 2 A T + 0 0 77 2,-0.1 2,-0.6 26,-0.0 0, 0.0 -0.245 360.0 140.3 -85.3 41.4 1.0 34.0 36.7 3 3 A N - 0 0 56 -2,-0.8 2,-0.5 25,-0.1 25,-0.2 -0.841 57.9-122.6 -88.2 120.5 1.7 37.6 35.7 4 4 A I E -a 28 0A 5 23,-2.8 25,-2.8 -2,-0.6 2,-0.5 -0.610 14.8-141.4 -72.1 114.2 1.2 37.6 31.9 5 5 A R E -a 29 0A 93 -2,-0.5 56,-1.8 23,-0.2 55,-1.6 -0.692 32.3-177.3 -72.8 122.7 4.3 38.9 30.1 6 6 A V E -ab 30 61A 0 23,-3.3 25,-3.4 -2,-0.5 26,-0.7 -0.931 17.1-171.2-127.8 153.2 2.9 41.0 27.3 7 7 A A E -ab 32 62A 0 54,-2.4 56,-2.8 -2,-0.3 2,-0.4 -0.963 16.7-135.6-137.7 155.8 4.3 42.9 24.3 8 8 A I E -ab 33 63A 0 24,-1.9 26,-2.8 -2,-0.3 2,-0.6 -0.926 9.6-151.9-111.9 138.0 2.8 45.3 21.8 9 9 A V E +ab 34 64A 2 54,-2.6 56,-1.9 -2,-0.4 26,-0.2 -0.943 68.3 9.9-112.3 115.6 3.6 45.0 18.1 10 10 A G - 0 0 12 24,-1.9 24,-0.1 -2,-0.6 56,-0.1 -0.058 67.7-130.1 101.4 159.0 3.3 48.4 16.3 11 11 A Y + 0 0 37 4,-0.1 -1,-0.1 22,-0.1 55,-0.1 -0.099 54.1 112.2-147.5 50.9 2.9 51.9 17.8 12 12 A G S > S- 0 0 34 53,-0.6 4,-1.9 4,-0.0 5,-0.1 0.154 89.7 -52.0 -93.4-141.8 0.1 54.2 16.5 13 13 A N H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.950 138.5 43.7 -63.2 -47.5 -3.0 55.3 18.3 14 14 A L H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.921 113.1 50.2 -64.2 -48.0 -4.1 51.8 19.3 15 15 A G H > S+ 0 0 0 50,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.879 111.7 51.0 -59.5 -35.9 -0.7 50.6 20.4 16 16 A R H X S+ 0 0 112 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.841 109.4 48.6 -70.6 -33.8 -0.4 53.8 22.4 17 17 A S H X S+ 0 0 5 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.869 110.8 51.4 -73.4 -39.6 -3.8 53.2 24.1 18 18 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.909 106.8 54.4 -62.9 -43.3 -2.9 49.6 24.9 19 19 A E H X S+ 0 0 31 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.958 110.8 43.0 -55.8 -55.1 0.4 50.7 26.5 20 20 A K H < S+ 0 0 109 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.767 117.4 48.8 -63.6 -29.0 -1.2 53.2 29.0 21 21 A L H >< S+ 0 0 18 -4,-1.4 3,-1.6 1,-0.2 -1,-0.2 0.810 95.7 67.2 -82.2 -31.5 -3.9 50.7 29.8 22 22 A I H >< S+ 0 0 5 -4,-2.6 3,-1.5 1,-0.3 6,-0.2 0.818 93.5 65.7 -58.2 -27.3 -1.7 47.6 30.4 23 23 A A T 3< S+ 0 0 88 -4,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.799 96.1 53.4 -64.9 -31.8 -0.5 49.6 33.5 24 24 A K T < S+ 0 0 158 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.301 86.3 103.8 -87.9 12.8 -3.9 49.4 35.1 25 25 A Q X - 0 0 42 -3,-1.5 3,-0.9 -4,-0.2 -3,-0.0 -0.832 62.3-152.2 -95.8 126.9 -4.0 45.6 34.7 26 26 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.618 91.8 37.6 -71.7 -13.7 -3.3 43.7 38.0 27 27 A D T 3 S+ 0 0 25 -24,-0.1 -23,-2.8 -23,-0.0 2,-0.4 0.064 98.6 87.2-129.2 23.0 -1.9 40.7 36.3 28 28 A M E < -a 4 0A 9 -3,-0.9 2,-0.4 -6,-0.2 -23,-0.2 -0.960 48.3-162.4-130.3 149.8 0.0 41.9 33.3 29 29 A D E -a 5 0A 93 -25,-2.8 -23,-3.3 -2,-0.4 2,-0.6 -0.994 17.9-139.6-130.2 119.9 3.6 43.1 32.7 30 30 A L E +a 6 0A 46 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.714 21.1 179.4 -78.4 119.4 4.5 45.1 29.6 31 31 A V E - 0 0 41 -25,-3.4 2,-0.3 -2,-0.6 -24,-0.2 0.819 53.1 -65.9 -92.3 -31.3 7.8 43.7 28.4 32 32 A G E -a 7 0A 0 -26,-0.7 -24,-1.9 12,-0.1 2,-0.4 -0.994 43.9 -82.8 170.6-171.5 8.2 45.9 25.4 33 33 A I E -ac 8 46A 0 12,-2.2 14,-2.4 -2,-0.3 2,-0.7 -0.993 28.3-145.1-127.5 128.8 7.2 47.2 22.0 34 34 A F E +ac 9 47A 1 -26,-2.8 -24,-1.9 -2,-0.4 2,-0.3 -0.872 34.7 165.2 -96.4 114.8 8.2 45.4 18.8 35 35 A S E - c 0 48A 14 12,-2.6 14,-1.7 -2,-0.7 15,-0.3 -0.871 51.6-134.1-131.1 163.7 8.8 48.0 16.1 36 36 A R S S+ 0 0 205 -2,-0.3 2,-0.3 12,-0.2 -1,-0.1 0.750 92.6 77.3 -81.4 -25.1 10.3 48.5 12.7 37 37 A R S S- 0 0 135 1,-0.1 -2,-0.2 10,-0.1 12,-0.0 -0.646 72.4-145.9 -90.7 143.6 11.8 51.8 14.0 38 38 A A S S+ 0 0 93 -2,-0.3 2,-0.3 10,-0.0 8,-0.1 0.858 85.2 40.1 -74.8 -38.7 14.9 51.9 16.3 39 39 A T + 0 0 107 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.864 67.5 176.9-112.9 150.8 13.8 55.0 18.3 40 40 A L - 0 0 26 -2,-0.3 2,-2.7 2,-0.3 6,-0.0 -0.993 42.9-104.1-153.9 146.3 10.2 55.7 19.6 41 41 A D S S+ 0 0 158 -2,-0.3 2,-0.3 2,-0.0 3,-0.0 -0.251 89.2 86.2 -69.2 56.2 8.5 58.4 21.7 42 42 A T S S- 0 0 40 -2,-2.7 -2,-0.3 2,-0.1 4,-0.1 -0.982 73.3-135.3-154.3 158.3 8.3 56.1 24.8 43 43 A K S S+ 0 0 202 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.639 78.5 104.7 -85.5 -21.7 10.1 54.9 27.8 44 44 A T S S- 0 0 25 1,-0.1 -2,-0.1 -12,-0.1 -12,-0.1 -0.433 85.8-101.1 -65.8 133.3 9.0 51.4 27.1 45 45 A P - 0 0 69 0, 0.0 -12,-2.2 0, 0.0 2,-0.4 -0.172 37.5-149.9 -54.2 140.9 11.8 49.2 25.7 46 46 A V E -c 33 0A 45 -14,-0.2 2,-0.3 -8,-0.1 -12,-0.2 -0.978 12.6-172.1-123.8 132.1 11.7 48.7 21.9 47 47 A F E -c 34 0A 47 -14,-2.4 -12,-2.6 -2,-0.4 -10,-0.1 -0.896 37.0 -98.1-118.7 148.9 13.0 45.7 19.9 48 48 A D E > -c 35 0A 80 -2,-0.3 3,-2.0 -14,-0.2 -12,-0.2 -0.428 31.7-129.2 -62.7 136.2 13.2 45.3 16.2 49 49 A V G > S+ 0 0 39 -14,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.835 107.8 66.7 -56.3 -31.2 10.2 43.4 15.1 50 50 A A G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -15,-0.3 3,-0.3 0.543 92.0 61.0 -68.7 -8.0 12.6 41.0 13.3 51 51 A D G <> + 0 0 84 -3,-2.0 4,-0.7 1,-0.2 -1,-0.3 -0.068 66.3 112.6-108.5 29.6 14.0 39.9 16.6 52 52 A V H X> S+ 0 0 13 -3,-1.2 4,-1.5 1,-0.2 3,-1.3 0.919 71.4 60.6 -66.2 -41.9 10.7 38.4 17.9 53 53 A D H 34 S+ 0 0 92 1,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.821 101.8 52.9 -53.5 -35.0 12.1 34.9 17.7 54 54 A K H 34 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.2 3,-0.3 0.758 116.4 39.2 -74.3 -23.4 14.8 35.9 20.2 55 55 A H H XX S+ 0 0 53 -3,-1.3 3,-2.7 -4,-0.7 4,-1.2 0.534 81.2 104.8-103.8 -5.1 12.1 37.2 22.6 56 56 A A T 3< S+ 0 0 28 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.527 83.2 52.9 -53.5 -6.2 9.6 34.4 22.0 57 57 A D T 34 S+ 0 0 133 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.584 108.2 45.9-105.0 -17.9 10.6 33.1 25.4 58 58 A D T <4 S+ 0 0 98 -3,-2.7 2,-0.5 1,-0.1 -2,-0.2 0.497 102.4 75.4-102.6 -3.7 10.1 36.2 27.4 59 59 A V < + 0 0 9 -4,-1.2 -53,-0.2 23,-0.2 25,-0.1 -0.936 46.6 179.8-120.3 123.7 6.7 37.1 26.0 60 60 A D S S+ 0 0 35 -55,-1.6 24,-1.4 -2,-0.5 2,-0.4 0.933 75.2 20.5 -78.9 -55.5 3.3 35.5 26.8 61 61 A V E -bd 6 84A 0 -56,-1.8 -54,-2.4 22,-0.2 2,-0.7 -0.975 62.9-151.7-124.9 136.9 0.9 37.5 24.6 62 62 A L E -bd 7 85A 2 22,-3.6 24,-1.8 -2,-0.4 2,-0.9 -0.915 11.5-152.9-107.5 108.4 1.6 39.6 21.5 63 63 A F E -bd 8 86A 0 -56,-2.8 -54,-2.6 -2,-0.7 2,-1.2 -0.778 13.2-144.0 -82.9 108.4 -1.0 42.4 21.1 64 64 A L E +bd 9 87A 0 22,-2.3 24,-0.5 -2,-0.9 -54,-0.1 -0.623 33.5 161.5 -80.1 98.4 -1.1 43.1 17.4 65 65 A C + 0 0 13 -56,-1.9 -53,-0.6 -2,-1.2 -50,-0.5 -0.090 50.1 78.3-107.7 34.5 -1.5 46.9 17.2 66 66 A M + 0 0 25 -56,-0.1 2,-0.1 -55,-0.1 -57,-0.0 -0.990 67.4 52.1-139.4 142.8 -0.4 47.3 13.6 67 67 A G >> + 0 0 10 -2,-0.3 4,-1.6 4,-0.2 3,-1.4 -0.337 39.0 176.7 143.0 -72.5 -2.2 46.7 10.3 68 68 A S T 34 S- 0 0 50 1,-0.3 4,-0.3 2,-0.2 23,-0.2 -0.328 88.1 -12.5 58.7-128.0 -5.7 48.0 9.5 69 69 A A T 34 S+ 0 0 43 3,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.019 148.2 23.8 -91.6 32.0 -6.5 46.9 5.9 70 70 A T T <> S+ 0 0 71 -3,-1.4 4,-1.5 3,-0.0 5,-0.3 0.356 110.1 48.3-149.5 -72.4 -2.9 45.9 5.3 71 71 A D H X S+ 0 0 61 -4,-1.6 4,-1.6 1,-0.2 5,-0.4 0.685 106.2 58.2 -62.8 -23.6 -0.3 44.9 7.8 72 72 A I H > S+ 0 0 4 -4,-0.3 4,-2.0 3,-0.2 -1,-0.2 0.909 106.1 45.0 -75.7 -44.6 -2.5 42.4 9.8 73 73 A P H 4 S+ 0 0 44 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.969 123.2 35.8 -62.4 -51.8 -3.4 40.1 6.9 74 74 A E H < S+ 0 0 112 -4,-1.5 4,-0.3 1,-0.1 -2,-0.2 0.950 132.1 27.9 -66.6 -48.3 0.2 39.8 5.6 75 75 A Q H >X S+ 0 0 59 -4,-1.6 4,-1.0 -5,-0.3 3,-0.9 0.777 97.5 80.4 -88.6 -32.6 1.9 40.0 9.0 76 76 A A H 3X S+ 0 0 0 -4,-2.0 4,-0.8 -5,-0.4 3,-0.4 0.811 90.6 53.1 -47.0 -45.6 -0.4 38.5 11.7 77 77 A P H 3> S+ 0 0 20 0, 0.0 4,-0.9 0, 0.0 3,-0.4 0.832 100.0 61.3 -62.3 -35.3 0.3 34.8 11.0 78 78 A K H <4 S+ 0 0 127 -3,-0.9 3,-0.4 -4,-0.3 -2,-0.2 0.867 105.8 49.2 -59.7 -36.5 4.1 35.1 11.3 79 79 A F H >X S+ 0 0 17 -4,-1.0 3,-1.5 -3,-0.4 4,-1.4 0.725 96.4 68.6 -75.6 -24.9 3.5 36.3 14.9 80 80 A A H 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.815 93.4 62.1 -64.5 -25.2 1.2 33.3 15.7 81 81 A Q T 3< S+ 0 0 111 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.601 109.7 38.1 -77.1 -9.1 4.3 31.1 15.4 82 82 A F T <4 S- 0 0 62 -3,-1.5 2,-0.3 1,-0.3 -1,-0.2 0.610 125.6 -20.2-115.9 -22.9 6.0 32.9 18.3 83 83 A A S < S- 0 0 7 -4,-1.4 -1,-0.3 -21,-0.1 2,-0.3 -0.978 81.3 -60.9-171.3 176.1 3.2 33.6 20.9 84 84 A C E -d 61 0A 4 -24,-1.4 -22,-3.6 -2,-0.3 2,-0.4 -0.584 56.4-154.0 -70.9 133.0 -0.5 34.1 21.5 85 85 A T E -de 62 113A 0 27,-1.1 29,-2.7 -2,-0.3 2,-0.5 -0.917 16.9-167.7-118.0 144.4 -1.8 37.0 19.4 86 86 A V E +de 63 114A 0 -24,-1.8 -22,-2.3 -2,-0.4 2,-0.3 -0.994 16.7 175.8-128.2 123.2 -4.8 39.3 19.9 87 87 A D E -d 64 0A 0 27,-2.3 30,-2.6 -2,-0.5 -22,-0.1 -0.884 34.7-145.8-127.5 162.8 -5.8 41.5 17.0 88 88 A T + 0 0 24 -24,-0.5 2,-0.4 -2,-0.3 27,-0.1 -0.227 34.6 171.3-114.7 37.7 -8.6 44.0 16.3 89 89 A Y + 0 0 4 1,-0.1 -2,-0.1 -17,-0.1 -20,-0.1 -0.320 5.7 177.8 -57.3 111.0 -8.9 43.1 12.6 90 90 A D + 0 0 72 -2,-0.4 2,-1.7 30,-0.1 -1,-0.1 0.241 37.2 118.6-105.7 12.2 -12.0 44.9 11.3 91 91 A N >> - 0 0 59 -23,-0.2 3,-1.5 1,-0.2 4,-1.0 -0.644 48.6-164.4 -78.5 91.4 -12.3 44.2 7.6 92 92 A H T 34 S+ 0 0 101 -2,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.778 82.0 53.0 -48.2 -38.1 -15.7 42.4 8.0 93 93 A R T 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.780 115.6 41.5 -71.7 -23.9 -15.7 40.8 4.6 94 94 A D T <> S+ 0 0 54 -3,-1.5 4,-3.0 1,-0.1 5,-0.3 0.489 85.0 95.0-103.1 -5.7 -12.3 39.2 5.3 95 95 A I H X S+ 0 0 25 -4,-1.0 4,-1.8 -3,-0.3 5,-0.2 0.909 84.8 51.3 -55.6 -45.5 -12.7 38.1 8.9 96 96 A P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.907 115.4 42.0 -60.4 -38.5 -13.7 34.6 8.0 97 97 A R H > S+ 0 0 50 -4,-0.2 4,-2.1 1,-0.2 3,-0.4 0.959 112.2 54.2 -70.8 -47.5 -10.6 34.2 5.7 98 98 A H H X S+ 0 0 4 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.764 109.6 48.9 -57.3 -29.0 -8.3 35.9 8.2 99 99 A R H X S+ 0 0 82 -4,-1.8 4,-1.9 -5,-0.3 197,-0.3 0.849 105.8 56.3 -83.6 -30.1 -9.4 33.5 10.8 100 100 A Q H X S+ 0 0 120 -4,-1.5 4,-1.4 -3,-0.4 -2,-0.2 0.956 112.6 41.3 -63.3 -50.1 -8.9 30.4 8.7 101 101 A V H X S+ 0 0 58 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.882 113.4 52.3 -66.4 -39.1 -5.2 31.3 8.0 102 102 A M H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.852 106.5 57.1 -65.1 -33.5 -4.6 32.4 11.6 103 103 A N H X S+ 0 0 53 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.881 103.7 49.0 -63.4 -46.0 -6.0 29.1 12.8 104 104 A E H X S+ 0 0 132 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.890 115.5 48.0 -59.8 -41.6 -3.5 26.9 10.8 105 105 A A H X S+ 0 0 12 -4,-1.6 4,-0.6 2,-0.2 -2,-0.2 0.899 114.7 41.6 -66.2 -49.7 -0.8 29.1 12.2 106 106 A A H >X>S+ 0 0 0 -4,-2.8 5,-1.8 2,-0.2 4,-1.5 0.926 116.2 47.4 -68.8 -47.3 -1.8 29.0 15.8 107 107 A T H 3<5S+ 0 0 69 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.859 110.3 56.1 -60.1 -37.1 -2.7 25.3 16.0 108 108 A A H 3<5S+ 0 0 84 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.659 114.5 37.8 -67.6 -22.1 0.6 24.6 14.2 109 109 A A H <<5S- 0 0 45 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.555 109.4-119.5-106.1 -13.4 2.5 26.4 17.0 110 110 A G T <5S+ 0 0 41 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.652 76.0 110.4 83.0 15.9 0.4 25.2 19.9 111 111 A N < - 0 0 17 -5,-1.8 184,-1.6 -31,-0.2 2,-0.3 -0.806 67.5-105.4-121.4 164.1 -0.7 28.7 20.9 112 112 A V E - f 0 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-0.459 43.6-120.7 -65.9 140.0 -5.7 71.9 -2.5 203 203 A A T 3 S+ 0 0 78 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.673 110.3 66.8 -56.7 -22.0 -8.7 73.4 -4.3 204 204 A A T 3 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.791 103.0 45.6 -70.8 -27.9 -7.5 72.0 -7.6 205 205 A D S <> S+ 0 0 57 -3,-1.9 4,-3.1 1,-0.1 5,-0.3 0.506 82.8 98.0 -93.8 -7.4 -8.1 68.5 -6.4 206 206 A H H > S+ 0 0 50 -4,-0.5 4,-2.9 -3,-0.4 5,-0.2 0.894 82.6 48.4 -48.3 -53.2 -11.6 68.9 -4.9 207 207 A E H > S+ 0 0 83 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.912 117.8 41.4 -55.8 -48.8 -13.6 67.6 -7.9 208 208 A R H > S+ 0 0 88 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.925 114.8 49.6 -67.3 -49.0 -11.5 64.5 -8.2 209 209 A I H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.919 110.1 52.5 -59.0 -39.8 -11.2 63.8 -4.5 210 210 A E H X S+ 0 0 64 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.860 109.6 47.3 -64.1 -40.1 -15.0 64.2 -4.0 211 211 A N H X S+ 0 0 94 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.852 111.0 53.3 -66.5 -39.4 -15.8 61.7 -6.8 212 212 A D H < S+ 0 0 52 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.800 111.0 46.1 -65.6 -34.8 -13.2 59.3 -5.3 213 213 A I H >< S+ 0 0 0 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.958 114.9 46.8 -71.4 -50.8 -14.9 59.5 -1.9 214 214 A R H 3< S+ 0 0 98 -4,-2.5 -2,-0.2 1,-0.3 8,-0.2 0.770 115.5 43.5 -62.7 -30.8 -18.4 59.1 -3.3 215 215 A T T 3< S+ 0 0 73 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.1 0.240 79.1 126.1-101.3 12.5 -17.6 56.1 -5.5 216 216 A M <>> - 0 0 34 -3,-1.4 4,-2.3 -5,-0.1 5,-1.8 -0.605 60.5-130.8 -74.8 110.6 -15.5 54.3 -3.0 217 217 A P T 45S+ 0 0 85 0, 0.0 2,-2.8 0, 0.0 3,-0.2 -0.148 80.6 9.0 -60.0 157.9 -17.0 50.8 -2.8 218 218 A D T 45S+ 0 0 122 1,-0.2 -2,-0.1 3,-0.1 0, 0.0 -0.321 129.5 51.7 71.7 -58.0 -17.8 49.3 0.6 219 219 A Y T 45S+ 0 0 58 -2,-2.8 -1,-0.2 1,-0.1 -67,-0.1 0.921 128.0 2.3 -77.4 -45.8 -17.1 52.5 2.5 220 220 A F T ><5S+ 0 0 1 -4,-2.3 3,-1.9 -3,-0.2 -25,-0.1 0.764 92.7 100.2-119.3 -28.5 -19.2 55.1 0.7 221 221 A V T 3 - 0 0 92 -2,-0.3 4,-1.9 -31,-0.1 3,-0.3 -0.407 39.5-110.2 -73.5 162.1 -8.5 74.8 5.5 232 232 A E H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.811 114.2 58.1 -65.5 -35.1 -5.9 73.1 7.6 233 233 A A H > S+ 0 0 65 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.891 109.6 46.2 -62.3 -38.6 -6.0 75.6 10.5 234 234 A T H > S+ 0 0 36 -3,-0.3 4,-2.0 2,-0.2 5,-0.3 0.887 112.4 50.7 -70.3 -39.4 -9.8 74.8 10.9 235 235 A F H X S+ 0 0 21 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.977 110.2 50.5 -58.3 -55.9 -9.1 71.1 10.6 236 236 A D H < S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.756 118.7 33.6 -53.1 -39.9 -6.4 71.2 13.3 237 237 A S H < S+ 0 0 83 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.753 123.5 39.2 -94.2 -26.3 -8.3 73.2 15.9 238 238 A E H < S+ 0 0 140 -4,-2.0 3,-0.2 -5,-0.2 2,-0.2 0.652 111.3 51.7-101.4 -14.5 -11.9 71.9 15.5 239 239 A H < + 0 0 30 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.447 67.4 116.9-121.6 60.5 -11.5 68.2 14.7 240 240 A T + 0 0 110 -3,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.659 51.1 90.3 -99.2 -19.2 -9.3 66.9 17.5 241 241 A G - 0 0 38 -3,-0.2 28,-0.1 1,-0.1 27,-0.0 -0.222 52.1-159.6 -79.3 167.8 -11.6 64.4 19.3 242 242 A M B +m 269 0E 26 26,-0.6 28,-3.2 2,-0.1 -92,-0.1 -0.069 33.0 150.6-138.0 41.3 -12.2 60.7 18.8 243 243 A P + 0 0 52 0, 0.0 -95,-2.5 0, 0.0 2,-0.3 -0.301 12.1 148.8 -74.1 155.6 -15.6 59.9 20.3 244 244 A H E + I 0 267C 11 23,-2.1 23,-2.8 -97,-0.3 2,-0.3 -0.953 3.2 134.2-168.2 179.7 -17.8 57.1 19.0 245 245 A G E - I 0 266C 0 -2,-0.3 -100,-3.6 21,-0.2 2,-0.3 -0.978 17.3-174.2 158.6-162.6 -20.3 54.5 20.0 246 246 A G E -HI 144 265C 0 19,-1.9 19,-2.3 -102,-0.3 2,-0.3 -0.970 23.3 -91.8 163.9-172.3 -23.7 53.1 18.9 247 247 A H E -HI 143 264C 23 -104,-1.5 -104,-2.8 -2,-0.3 2,-0.6 -0.967 9.6-155.8-135.8 142.7 -26.6 50.7 19.6 248 248 A V E -HI 142 263C 3 15,-2.0 15,-2.0 -2,-0.3 2,-0.5 -0.990 26.6-171.1-115.7 114.8 -27.4 47.1 18.8 249 249 A I E +HI 141 262C 1 -108,-3.0 -108,-2.3 -2,-0.6 2,-0.4 -0.953 10.2 175.8-116.0 127.4 -31.2 46.9 18.9 250 250 A T E -HI 140 261C 1 11,-2.6 11,-3.1 -2,-0.5 2,-0.3 -0.986 5.2-173.4-128.2 136.3 -33.1 43.6 18.7 251 251 A T E +HI 139 260C 4 -112,-2.2 -112,-1.8 -2,-0.4 2,-0.3 -0.870 7.0 177.3-123.4 156.0 -36.9 43.1 19.0 252 252 A G E -HI 138 259C 4 7,-1.7 7,-2.0 -2,-0.3 2,-0.4 -0.979 21.6-135.4-156.7 153.6 -38.8 39.8 19.1 253 253 A D E - I 0 258C 90 -116,-1.2 -116,-0.4 -2,-0.3 5,-0.2 -0.904 9.8-173.3-116.1 133.1 -42.3 38.6 19.5 254 254 A T S S- 0 0 87 3,-2.5 4,-0.1 -2,-0.4 -1,-0.1 -0.032 79.3 -49.7-112.4 29.8 -43.3 35.7 21.8 255 255 A G S S- 0 0 58 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.808 122.3 -22.7 107.2 51.8 -46.9 35.5 20.8 256 256 A G S S+ 0 0 65 1,-0.3 2,-0.4 0, 0.0 -3,-0.0 0.562 118.0 103.9 92.4 5.4 -48.4 38.9 20.9 257 257 A F - 0 0 139 2,-0.0 -3,-2.5 0, 0.0 2,-0.3 -0.994 59.4-149.2-125.4 124.9 -45.8 40.0 23.4 258 258 A N E -I 253 0C 90 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.697 9.9-169.8 -96.4 142.4 -42.8 42.3 22.3 259 259 A H E -I 252 0C 77 -7,-2.0 -7,-1.7 -2,-0.3 2,-0.4 -0.983 4.9-159.8-130.0 137.2 -39.4 42.2 23.9 260 260 A T E -I 251 0C 64 -2,-0.4 2,-0.5 -9,-0.2 -9,-0.2 -0.992 4.5-170.7-123.5 126.4 -36.6 44.8 23.2 261 261 A V E +I 250 0C 61 -11,-3.1 -11,-2.6 -2,-0.4 2,-0.4 -0.974 10.8 179.8-114.8 127.0 -32.9 44.2 23.8 262 262 A E E -I 249 0C 66 -2,-0.5 2,-0.5 -13,-0.2 -13,-0.2 -0.973 14.5-171.2-136.8 125.6 -30.6 47.2 23.5 263 263 A Y E -I 248 0C 58 -15,-2.0 -15,-2.0 -2,-0.4 2,-0.4 -0.950 16.5-172.2-110.3 125.9 -26.9 47.4 23.9 264 264 A I E -I 247 0C 80 -2,-0.5 2,-0.4 -17,-0.2 -17,-0.2 -0.963 12.5-169.8-125.4 142.1 -25.4 50.9 23.9 265 265 A L E -I 246 0C 15 -19,-2.3 -19,-1.9 -2,-0.4 2,-0.5 -0.995 4.1-177.0-129.3 126.5 -21.8 52.2 23.9 266 266 A K E -I 245 0C 122 -2,-0.4 2,-0.5 -21,-0.2 -21,-0.2 -0.949 16.8-175.6-123.5 102.5 -20.9 55.9 24.5 267 267 A L E -I 244 0C 15 -23,-2.8 -23,-2.1 -2,-0.5 3,-0.3 -0.902 24.5-166.1-107.7 124.2 -17.1 56.2 24.1 268 268 A D S S+ 0 0 156 -2,-0.5 -26,-0.6 1,-0.3 2,-0.3 0.728 90.9 27.4 -75.5 -25.0 -15.2 59.4 24.7 269 269 A R B >> S-m 242 0E 94 1,-0.1 4,-0.9 -28,-0.1 3,-0.6 -0.859 71.7-157.2-143.7 107.8 -12.1 58.0 23.0 270 270 A N H >> S+ 0 0 12 -28,-3.2 4,-1.6 -2,-0.3 3,-0.9 0.860 91.3 46.5 -49.8 -55.4 -12.6 55.4 20.4 271 271 A P H 3> S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.770 105.6 63.2 -65.2 -23.0 -9.1 53.6 20.5 272 272 A D H <> S+ 0 0 35 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.765 106.1 42.2 -70.2 -33.4 -9.2 53.5 24.3 273 273 A F H X S+ 0 0 1 -4,-2.3 4,-1.1 2,-0.2 3,-0.7 0.917 108.6 48.4 -71.3 -47.9 -6.6 43.6 26.5 280 280 A A H 3X S+ 0 0 20 -4,-1.4 4,-1.1 1,-0.3 3,-0.3 0.869 111.9 52.5 -63.4 -33.8 -9.3 41.6 28.4 281 281 A F H 3X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.668 102.8 57.5 -74.3 -20.0 -9.3 39.1 25.4 282 282 A G H < S+ 0 0 57 -4,-1.8 3,-2.6 3,-0.2 -2,-0.2 0.907 111.7 57.0 -75.6 -42.9 -4.0 28.2 26.0 290 290 A Q H 3< S+ 0 0 121 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.634 110.0 48.4 -61.6 -15.2 -2.7 27.7 29.5 291 291 A Q T 3< S- 0 0 99 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.094 135.1 -88.6-112.2 17.6 -5.6 25.3 29.9 292 292 A G S < S+ 0 0 65 -3,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.946 75.9 131.5 78.2 58.1 -4.7 23.6 26.6 293 293 A Q - 0 0 68 -5,-0.3 2,-0.3 -4,-0.2 -1,-0.2 -0.955 26.7-169.6-136.1 156.2 -6.3 25.1 23.5 294 294 A S + 0 0 43 -2,-0.3 -182,-0.2 2,-0.1 -187,-0.2 -0.997 35.0 39.2-150.5 151.0 -5.0 26.1 20.0 295 295 A G E S-f 112 0A 0 -184,-1.6 -182,-2.4 -2,-0.3 -192,-0.2 -0.622 85.9 -35.3 113.2-176.3 -5.9 27.9 16.8 296 296 A A E -f 113 0A 2 -197,-0.3 2,-0.3 -2,-0.2 -182,-0.2 -0.429 53.5-173.9 -79.0 155.9 -7.9 31.0 15.9 297 297 A F E -f 114 0A 26 -184,-1.7 -182,-2.5 -2,-0.1 2,-0.2 -0.983 14.4-145.2-151.2 138.4 -11.0 32.1 17.9 298 298 A T > - 0 0 27 -2,-0.3 3,-1.9 -184,-0.2 -182,-0.1 -0.538 41.2 -97.9 -95.7 169.1 -13.5 34.9 17.3 299 299 A V G > S+ 0 0 8 -184,-0.4 3,-0.9 1,-0.3 -183,-0.1 0.703 121.0 69.4 -59.1 -19.2 -15.1 36.7 20.2 300 300 A L G 3 S+ 0 0 90 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.579 95.7 53.5 -74.8 -12.5 -18.1 34.4 19.8 301 301 A E G < S+ 0 0 79 -3,-1.9 2,-0.5 2,-0.1 -1,-0.2 0.195 86.9 92.0-110.7 15.5 -16.0 31.4 21.1 302 302 A V S < S- 0 0 17 -3,-0.9 5,-0.0 -4,-0.1 -17,-0.0 -0.943 73.7-128.2-113.4 129.8 -14.7 32.8 24.4 303 303 A A > - 0 0 40 -2,-0.5 3,-2.2 1,-0.1 4,-0.3 -0.597 25.5-122.1 -75.9 131.7 -16.7 32.2 27.6 304 304 A P G >> S+ 0 0 87 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.745 107.1 63.5 -44.0 -37.0 -17.2 35.6 29.4 305 305 A Y G >4 S+ 0 0 98 1,-0.3 3,-0.7 2,-0.2 10,-0.0 0.758 89.1 71.6 -65.2 -22.3 -15.5 34.5 32.7 306 306 A L G <4 S+ 0 0 9 -3,-2.2 -1,-0.3 1,-0.2 -19,-0.2 0.748 95.5 52.4 -66.5 -19.3 -12.2 34.1 30.7 307 307 A L G <4 S+ 0 0 33 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.681 88.2 95.1 -89.2 -21.8 -11.9 37.9 30.3 308 308 A S << - 0 0 26 -3,-0.7 7,-0.1 -4,-0.5 4,-0.1 -0.626 68.2-146.1 -77.1 125.7 -12.3 38.7 34.0 309 309 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.773 76.8 94.0 -59.3 -19.0 -9.1 39.2 36.0 310 310 A E S S- 0 0 71 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.305 88.5 -94.6 -82.0 155.0 -11.1 37.6 38.8 311 311 A N >> - 0 0 96 1,-0.1 4,-1.5 -2,-0.1 3,-1.2 -0.390 33.8-125.2 -63.3 133.1 -11.6 34.1 40.2 312 312 A L H 3> S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.864 109.1 56.9 -49.0 -44.1 -14.6 32.4 38.7 313 313 A D H 3> S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.790 104.1 51.5 -61.9 -31.7 -16.0 31.6 42.1 314 314 A D H <> S+ 0 0 77 -3,-1.2 4,-1.4 2,-0.2 5,-0.3 0.878 109.6 51.9 -71.7 -37.3 -16.0 35.3 43.1 315 315 A L H X>S+ 0 0 21 -4,-1.5 4,-2.8 2,-0.2 5,-0.9 0.901 111.6 44.9 -62.6 -46.6 -17.9 36.1 39.9 316 316 A I H <5S+ 0 0 97 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.846 115.6 48.2 -69.0 -32.9 -20.6 33.5 40.6 317 317 A A H <5S+ 0 0 90 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.722 128.8 21.6 -80.6 -20.7 -20.9 34.6 44.2 318 318 A R H <5S+ 0 0 142 -4,-1.4 -3,-0.2 -5,-0.1 -2,-0.2 0.790 128.4 34.1-115.2 -41.7 -21.1 38.3 43.3 319 319 A D T <5 0 0 92 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.1 0.673 360.0 360.0 -95.9 -22.8 -22.3 38.7 39.7 320 320 A V < 0 0 167 -5,-0.9 -4,-0.0 -4,-0.3 0, 0.0 -0.479 360.0 360.0 -68.1 360.0 -24.7 36.0 38.8