==== 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 SIGNAL TRANSDUCTION PROTEIN 17-APR-96 1RNL . COMPND 2 MOLECULE: NITRATE/NITRITE RESPONSE REGULATOR PROTEIN NARL; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI STR. K12 SUBSTR.; . AUTHOR I.BAIKALOV,I.SCHRODER,M.KACZOR-GRZESKOWIAK,K.GRZESKOWIAK, . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9897.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 10 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 2 1 0 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 E 0 0 196 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -4.7 40.4 24.4 23.3 2 6 A P - 0 0 39 0, 0.0 26,-0.3 0, 0.0 2,-0.1 -0.495 360.0 -96.6 -79.5 154.2 39.9 26.4 26.5 3 7 A A E -a 28 0A 1 24,-2.6 26,-2.6 -2,-0.1 2,-0.3 -0.419 41.2-126.0 -66.3 139.5 40.1 24.7 29.9 4 8 A T E -a 29 0A 29 24,-0.2 47,-2.1 116,-0.2 46,-0.8 -0.717 21.6-166.5 -95.9 142.3 36.8 23.6 31.3 5 9 A I E -ab 30 51A 0 24,-2.1 26,-2.4 -2,-0.3 27,-1.1 -0.984 7.8-157.8-129.6 130.5 35.5 24.5 34.8 6 10 A L E -ab 32 52A 0 45,-2.6 47,-3.3 -2,-0.4 2,-0.6 -0.941 13.2-152.1-108.0 123.0 32.5 23.0 36.7 7 11 A L E +ab 33 53A 2 25,-2.3 27,-1.9 -2,-0.5 2,-0.5 -0.867 14.6 180.0-100.3 119.6 31.0 25.3 39.4 8 12 A I E +ab 34 54A 1 45,-3.0 47,-2.2 -2,-0.6 2,-0.3 -0.956 33.0 104.8-120.9 109.9 29.3 23.5 42.4 9 13 A D - 0 0 9 25,-2.3 25,-0.1 -2,-0.5 -2,-0.0 -0.979 57.5-138.3-168.2 173.8 27.9 25.9 45.0 10 14 A D S S+ 0 0 76 -2,-0.3 25,-0.1 1,-0.1 -2,-0.0 -0.518 72.0 103.1-143.1 59.8 24.8 27.4 46.5 11 15 A H >> - 0 0 72 1,-0.1 4,-2.0 47,-0.1 3,-1.3 -0.628 51.4-167.2-147.8 78.4 26.1 31.0 47.0 12 16 A P H 3> S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.788 83.7 47.4 -34.2 -58.8 24.6 33.2 44.2 13 17 A M H 3> S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.797 111.8 51.7 -63.8 -29.8 26.8 36.3 44.6 14 18 A L H <> S+ 0 0 20 -3,-1.3 4,-2.9 2,-0.2 -1,-0.2 0.941 112.5 44.4 -70.9 -47.2 29.9 34.3 44.7 15 19 A R H X S+ 0 0 32 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.891 110.7 56.1 -63.8 -37.5 29.1 32.4 41.5 16 20 A T H X S+ 0 0 88 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.910 113.0 41.1 -59.3 -43.7 28.1 35.7 40.0 17 21 A G H X S+ 0 0 32 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.914 112.5 52.8 -71.9 -44.4 31.5 37.2 40.7 18 22 A V H X S+ 0 0 4 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.900 107.6 53.4 -58.8 -39.2 33.5 34.1 39.8 19 23 A K H X S+ 0 0 68 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.889 107.5 50.9 -63.4 -39.8 31.7 34.0 36.4 20 24 A Q H X S+ 0 0 125 -4,-1.3 4,-0.7 1,-0.2 3,-0.4 0.929 110.2 49.8 -63.1 -44.3 32.7 37.6 35.8 21 25 A L H >< S+ 0 0 13 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.872 107.1 53.8 -62.5 -40.0 36.4 36.8 36.6 22 26 A I H >< S+ 0 0 8 -4,-2.2 3,-1.3 1,-0.2 6,-0.3 0.796 100.1 62.5 -66.9 -27.4 36.4 33.8 34.3 23 27 A S H 3< S+ 0 0 93 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.736 92.9 64.6 -68.5 -25.1 35.2 36.0 31.4 24 28 A M T << S+ 0 0 119 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.568 97.9 61.4 -75.0 -9.5 38.4 38.0 31.8 25 29 A A X - 0 0 9 -3,-1.3 3,-1.3 -4,-0.2 -1,-0.2 -0.925 64.1-167.5-125.2 107.0 40.4 35.0 30.7 26 30 A P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.744 84.5 62.6 -60.9 -29.9 39.7 33.6 27.2 27 31 A D T 3 S+ 0 0 69 -25,-0.1 -24,-2.6 -26,-0.0 2,-0.3 0.327 100.7 58.1 -83.8 7.8 41.6 30.3 27.7 28 32 A I E < +a 3 0A 5 -3,-1.3 2,-0.3 -6,-0.3 -24,-0.2 -0.984 64.1 176.6-134.9 145.2 39.2 29.2 30.5 29 33 A T E -a 4 0A 61 -26,-2.6 -24,-2.1 -2,-0.3 2,-0.5 -0.998 33.8-111.9-151.0 150.9 35.5 28.6 30.4 30 34 A V E +a 5 0A 35 -2,-0.3 -24,-0.2 -26,-0.2 3,-0.1 -0.734 29.0 177.2 -83.2 121.8 32.6 27.4 32.6 31 35 A V E - 0 0 60 -26,-2.4 2,-0.3 -2,-0.5 -25,-0.2 0.633 64.1 -1.0 -99.3 -18.1 31.2 24.1 31.2 32 36 A G E -a 6 0A 13 -27,-1.1 -25,-2.3 2,-0.0 2,-0.3 -0.984 54.9-151.7-168.1 158.2 28.5 23.5 33.8 33 37 A E E -a 7 0A 82 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.969 12.1-179.8-135.7 151.9 26.9 24.8 37.0 34 38 A A E -a 8 0A 5 -27,-1.9 -25,-2.3 -2,-0.3 -2,-0.0 -0.950 23.0-172.4-158.3 130.4 25.2 23.0 39.9 35 39 A S S S+ 0 0 62 -2,-0.3 2,-0.4 -27,-0.2 -27,-0.1 0.276 80.7 65.2-100.9 7.1 23.5 24.2 43.2 36 40 A N S > S- 0 0 84 1,-0.1 4,-2.3 22,-0.0 5,-0.1 -0.990 75.8-139.6-133.1 136.2 23.1 20.6 44.3 37 41 A G H > S+ 0 0 3 -2,-0.4 4,-2.4 2,-0.2 5,-0.2 0.933 103.8 50.9 -60.2 -46.4 25.9 18.1 45.2 38 42 A E H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 112.0 46.8 -58.0 -45.9 24.2 15.2 43.5 39 43 A Q H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 111.6 52.6 -63.7 -41.5 23.6 17.1 40.3 40 44 A G H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.865 104.7 54.0 -62.9 -38.8 27.2 18.3 40.4 41 45 A I H X S+ 0 0 12 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.862 108.1 52.1 -64.6 -33.0 28.6 14.8 40.7 42 46 A E H X S+ 0 0 116 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.921 112.6 43.2 -67.4 -47.4 26.6 13.9 37.6 43 47 A L H X S+ 0 0 42 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.857 111.2 55.8 -67.6 -36.0 28.0 16.7 35.6 44 48 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.946 110.5 44.9 -61.4 -47.8 31.5 16.1 36.9 45 49 A E H < S+ 0 0 90 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.895 118.9 39.4 -64.8 -45.2 31.5 12.5 35.8 46 50 A S H < S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.761 125.2 36.1 -79.6 -26.6 30.0 13.0 32.3 47 51 A L H < S- 0 0 66 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.740 82.5-157.2 -96.0 -28.6 32.0 16.2 31.5 48 52 A D < - 0 0 12 -4,-2.3 -3,-0.1 -5,-0.4 -44,-0.1 0.951 23.3-157.5 45.5 64.4 35.3 15.4 33.2 49 53 A P - 0 0 1 0, 0.0 28,-0.2 0, 0.0 27,-0.2 -0.205 25.2-124.2 -68.2 160.0 36.3 19.1 33.5 50 54 A D S S+ 0 0 9 -46,-0.8 28,-2.6 1,-0.3 2,-0.4 0.828 100.5 25.9 -73.0 -31.1 39.8 20.3 33.9 51 55 A L E -bc 5 78A 0 -47,-2.1 -45,-2.6 26,-0.2 2,-0.5 -0.998 63.4-165.2-138.3 131.8 38.7 22.1 37.1 52 56 A I E -bc 6 79A 1 26,-2.5 28,-2.3 -2,-0.4 2,-0.8 -0.981 12.2-158.7-115.1 116.6 35.9 21.4 39.5 53 57 A L E -bc 7 80A 4 -47,-3.3 -45,-3.0 -2,-0.5 2,-0.5 -0.872 15.8-176.6-101.2 102.5 35.2 24.3 41.8 54 58 A L E -bc 8 81A 0 26,-1.8 28,-2.6 -2,-0.8 2,-0.7 -0.871 19.9-145.8-106.7 130.1 33.4 23.1 45.0 55 59 A D E > - c 0 82A 2 -47,-2.2 3,-0.9 -2,-0.5 28,-0.1 -0.810 4.3-164.6 -93.3 116.8 32.1 25.2 47.8 56 60 A L T 3 S+ 0 0 23 26,-1.8 7,-0.5 -2,-0.7 8,-0.2 0.583 81.8 75.5 -75.7 -8.9 32.4 23.4 51.1 57 61 A N T 3 + 0 0 63 25,-0.3 -1,-0.2 26,-0.1 4,-0.1 0.185 68.3 137.0 -87.5 15.9 30.0 25.9 52.7 58 62 A M X - 0 0 13 -3,-0.9 3,-0.8 1,-0.1 4,-0.4 -0.343 62.2 -92.9 -68.1 145.2 27.0 24.4 51.0 59 63 A P G > S+ 0 0 80 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.083 108.0 42.0 -53.3 150.7 23.7 23.9 52.9 60 64 A G G 3 S- 0 0 71 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.433 109.5-105.7 88.5 -2.0 23.0 20.6 54.7 61 65 A M G < S+ 0 0 188 -3,-0.8 -1,-0.2 1,-0.1 3,-0.2 0.809 89.2 121.1 49.5 38.8 26.6 20.5 55.9 62 66 A N X> + 0 0 43 -3,-0.5 4,-2.2 -4,-0.4 3,-0.5 0.091 25.2 114.2-117.6 25.4 27.4 17.8 53.3 63 67 A G H 3> S+ 0 0 3 -7,-0.5 4,-1.1 -5,-0.4 -1,-0.1 0.875 81.7 46.9 -62.3 -38.8 30.2 19.6 51.4 64 68 A L H 3> S+ 0 0 50 -8,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.642 109.7 56.3 -76.7 -16.8 32.8 17.1 52.6 65 69 A E H <> S+ 0 0 70 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.877 103.5 51.6 -80.0 -42.0 30.4 14.3 51.7 66 70 A T H X S+ 0 0 1 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.839 108.1 55.0 -62.9 -32.3 30.1 15.5 48.1 67 71 A L H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.916 106.2 48.9 -66.8 -46.4 33.9 15.5 47.9 68 72 A D H < S+ 0 0 54 -4,-1.2 4,-0.3 1,-0.2 -2,-0.2 0.930 113.7 47.8 -57.9 -47.1 34.1 11.8 49.0 69 73 A K H X S+ 0 0 44 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.744 110.8 50.0 -67.0 -27.5 31.5 11.0 46.4 70 74 A L H >< S+ 0 0 0 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 0.901 108.4 53.6 -75.3 -41.3 33.3 13.0 43.7 71 75 A R T 3< S+ 0 0 21 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.527 102.3 60.3 -68.7 -9.4 36.5 11.2 44.6 72 76 A E T 34 S+ 0 0 144 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.782 95.3 74.3 -85.9 -33.5 34.6 7.9 44.1 73 77 A K S << S- 0 0 70 -4,-0.8 2,-0.9 -3,-0.7 -3,-0.0 -0.252 99.3 -99.3 -73.4 165.1 33.9 8.7 40.5 74 78 A S + 0 0 49 2,-0.0 2,-0.4 -29,-0.0 103,-0.1 -0.809 55.1 164.3 -92.4 103.5 36.7 8.5 37.8 75 79 A L - 0 0 5 -2,-0.9 -30,-0.1 102,-0.1 106,-0.1 -0.950 29.2-171.6-122.4 142.9 37.9 12.0 37.3 76 80 A S + 0 0 0 -2,-0.4 82,-0.1 -27,-0.2 -1,-0.1 0.445 64.7 80.0-108.5 -6.3 41.1 13.2 35.6 77 81 A G S S- 0 0 3 -28,-0.2 2,-0.3 1,-0.1 111,-0.3 -0.117 83.3 -88.6 -92.1-170.2 40.9 16.9 36.5 78 82 A R E -c 51 0A 11 -28,-2.6 -26,-2.5 41,-0.1 2,-0.5 -0.776 25.3-150.4-103.3 146.7 41.6 19.0 39.6 79 83 A I E -c 52 0A 0 -2,-0.3 21,-2.7 -28,-0.2 22,-1.1 -0.973 15.0-179.1-119.6 113.6 39.2 19.8 42.4 80 84 A V E -cd 53 101A 5 -28,-2.3 -26,-1.8 -2,-0.5 2,-0.3 -0.962 13.4-155.2-112.5 130.1 39.7 23.1 44.2 81 85 A V E -cd 54 102A 0 20,-1.8 22,-2.6 -2,-0.5 2,-1.0 -0.731 21.9-123.6-108.6 155.6 37.4 23.9 47.1 82 86 A F E -cd 55 103A 4 -28,-2.6 -26,-1.8 -2,-0.3 -25,-0.3 -0.879 42.7-137.5 -93.6 102.9 36.2 27.1 48.7 83 87 A S - 0 0 3 20,-2.2 22,-0.4 -2,-1.0 -26,-0.1 -0.175 10.4-123.6 -59.3 155.9 37.4 26.4 52.3 84 88 A V S S- 0 0 82 1,-0.2 2,-0.3 6,-0.2 -1,-0.1 0.908 87.4 -25.0 -67.1 -42.4 35.1 27.2 55.2 85 89 A S - 0 0 40 2,-0.2 -1,-0.2 19,-0.0 -2,-0.0 -0.883 68.2 -95.8-155.8-178.5 37.9 29.4 56.7 86 90 A N S S+ 0 0 106 -2,-0.3 2,-0.2 -3,-0.1 18,-0.0 0.183 74.5 131.5 -94.6 15.7 41.7 29.8 56.6 87 91 A H >> - 0 0 89 1,-0.1 4,-1.8 4,-0.0 3,-1.1 -0.494 67.5-121.2 -70.5 137.5 42.1 27.7 59.8 88 92 A E H 3> S+ 0 0 127 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.865 110.7 49.2 -44.3 -50.8 44.7 25.0 59.5 89 93 A E H 3> S+ 0 0 102 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.757 107.6 53.1 -66.3 -27.6 42.3 22.2 60.3 90 94 A D H <> S+ 0 0 61 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.835 115.0 43.5 -75.1 -30.9 39.7 23.3 57.8 91 95 A V H X S+ 0 0 9 -4,-1.8 4,-1.9 -3,-0.2 3,-0.2 0.952 113.0 46.8 -77.6 -53.7 42.4 23.4 55.1 92 96 A V H X S+ 0 0 19 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.819 108.3 58.1 -61.1 -32.4 44.2 20.1 55.8 93 97 A T H X S+ 0 0 41 -4,-1.1 4,-2.0 -5,-0.3 -1,-0.2 0.928 105.8 48.9 -63.1 -45.5 40.9 18.2 56.1 94 98 A A H <>S+ 0 0 0 -4,-0.9 5,-1.7 -3,-0.2 4,-0.3 0.923 113.3 46.7 -60.5 -46.0 39.9 19.3 52.6 95 99 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.912 111.5 50.8 -63.7 -42.9 43.3 18.2 51.2 96 100 A K H 3<5S+ 0 0 93 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.845 105.8 58.2 -62.9 -33.2 43.1 14.9 53.1 97 101 A R T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.498 132.8 -83.6 -77.3 -3.5 39.7 14.3 51.6 98 102 A G T < 5S+ 0 0 0 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.596 79.8 139.3 115.0 12.2 40.9 14.5 48.0 99 103 A A < - 0 0 0 -5,-1.7 -1,-0.3 1,-0.1 -19,-0.2 -0.659 42.2-151.3 -89.6 145.5 41.1 18.2 47.1 100 104 A D S S- 0 0 3 -21,-2.7 2,-0.3 -2,-0.3 -20,-0.2 0.735 74.8 -18.2 -83.5 -27.5 44.1 19.5 45.0 101 105 A G E -d 80 0A 13 -22,-1.1 -20,-1.8 -7,-0.1 2,-0.3 -0.937 61.4-129.5-162.4-177.0 43.9 23.0 46.5 102 106 A Y E -d 81 0A 90 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.988 10.5-164.2-148.2 155.3 41.7 25.5 48.3 103 107 A L E -d 82 0A 15 -22,-2.6 -20,-2.2 -2,-0.3 2,-0.4 -0.890 17.9-128.2-135.6 163.1 40.6 29.1 48.0 104 108 A L > - 0 0 27 -2,-0.3 3,-1.6 -22,-0.2 -20,-0.1 -0.941 14.2-135.3-116.7 137.1 39.0 31.6 50.3 105 109 A K T 3 S+ 0 0 64 -22,-0.4 -1,-0.1 -2,-0.4 7,-0.0 0.695 102.6 61.9 -63.1 -18.2 35.8 33.5 49.5 106 110 A D T 3 S+ 0 0 122 2,-0.0 -1,-0.3 3,-0.0 2,-0.1 0.175 75.6 124.5 -95.5 17.8 37.4 36.8 50.8 107 111 A M S < S- 0 0 59 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.375 71.7 -97.9 -73.7 156.5 40.3 36.9 48.3 108 112 A E > - 0 0 127 1,-0.1 4,-2.7 -2,-0.1 3,-0.4 -0.535 31.7-118.7 -73.7 141.3 40.8 39.9 46.1 109 113 A P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.810 113.7 53.6 -48.7 -37.1 39.3 39.5 42.6 110 114 A E H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.923 113.7 40.5 -67.2 -44.5 42.7 39.9 41.0 111 115 A D H > S+ 0 0 72 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.853 113.0 53.9 -73.3 -36.6 44.3 37.2 43.1 112 116 A L H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.899 106.7 53.8 -65.2 -38.7 41.3 34.9 42.8 113 117 A L H X S+ 0 0 33 -4,-1.8 4,-2.3 -5,-0.3 5,-0.2 0.934 108.6 48.0 -61.5 -47.1 41.5 35.2 39.0 114 118 A K H X S+ 0 0 94 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.865 112.7 50.1 -62.1 -36.6 45.2 34.1 39.0 115 119 A A H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.898 111.3 46.1 -68.7 -44.4 44.4 31.2 41.3 116 120 A L H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.898 114.4 48.5 -65.2 -43.4 41.5 29.9 39.2 117 121 A H H X S+ 0 0 52 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.887 112.1 48.5 -65.1 -41.1 43.5 30.2 36.0 118 122 A Q H X S+ 0 0 98 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.910 113.4 47.5 -66.3 -41.1 46.5 28.5 37.5 119 123 A A H < S+ 0 0 5 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.846 120.9 36.5 -69.6 -34.4 44.3 25.6 38.8 120 124 A A H < S+ 0 0 5 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.881 138.5 8.1 -86.9 -40.8 42.5 25.2 35.5 121 125 A A H < S+ 0 0 29 -4,-2.9 2,-0.2 -5,-0.2 -3,-0.2 0.182 113.8 64.0-131.3 19.9 45.1 25.8 32.9 122 126 A G S < S- 0 0 9 -4,-1.7 2,-0.3 -5,-0.2 -4,-0.1 -0.668 85.7 -69.6-135.3-174.4 48.5 26.1 34.6 123 127 A E + 0 0 107 -2,-0.2 2,-0.3 33,-0.1 33,-0.2 -0.614 46.8 179.6 -77.0 138.4 51.3 24.5 36.7 124 128 A M + 0 0 29 31,-1.5 2,-0.3 -2,-0.3 31,-0.1 -0.797 6.6 172.1-150.1 101.6 50.2 23.7 40.2 125 129 A V - 0 0 103 -2,-0.3 2,-0.2 29,-0.1 64,-0.1 -0.843 37.8-108.6-108.2 145.3 52.4 22.1 42.8 126 130 A L - 0 0 32 -2,-0.3 2,-0.1 63,-0.1 -25,-0.1 -0.481 39.0-109.3 -71.8 140.0 51.6 21.8 46.5 127 131 A S >> - 0 0 63 -2,-0.2 3,-1.6 1,-0.1 4,-1.2 -0.431 23.2-117.2 -69.7 145.7 53.6 24.0 48.9 128 132 A E T 34 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.759 112.9 67.8 -53.3 -27.1 56.1 22.2 51.1 129 133 A A T 34 S+ 0 0 82 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.879 110.2 32.8 -61.7 -38.6 54.1 23.5 54.1 130 134 A L T X> S+ 0 0 36 -3,-1.6 4,-1.0 1,-0.1 3,-0.8 0.556 97.4 88.4 -96.0 -9.5 51.2 21.2 53.1 131 135 A T H >X S+ 0 0 27 -4,-1.2 4,-2.0 1,-0.2 3,-0.5 0.895 82.5 55.3 -56.8 -47.2 53.3 18.3 51.6 132 136 A P H 3> S+ 0 0 80 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.764 99.1 64.9 -59.5 -25.3 53.8 16.4 54.9 133 137 A V H <> S+ 0 0 28 -3,-0.8 4,-0.8 2,-0.2 -2,-0.2 0.933 109.4 35.9 -62.9 -48.7 50.0 16.3 55.4 134 138 A L H - 0 0 71 -2,-0.6 4,-2.1 1,-0.1 3,-0.5 -0.225 24.1-116.2 -54.5 141.5 52.2 1.2 31.0 143 158 A P H > S+ 0 0 101 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.867 118.5 50.8 -48.7 -40.1 55.2 3.1 29.7 144 159 A R H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.874 108.9 51.0 -67.4 -37.9 52.8 5.9 28.5 145 160 A E H > S+ 0 0 3 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.817 107.2 53.3 -69.2 -31.6 51.2 6.1 32.0 146 161 A R H X S+ 0 0 115 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.851 108.7 50.4 -70.9 -33.6 54.6 6.4 33.6 147 162 A D H X S+ 0 0 45 -4,-1.5 4,-1.6 -5,-0.2 -2,-0.2 0.899 112.5 46.4 -68.8 -41.8 55.3 9.3 31.3 148 163 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.884 111.3 51.6 -68.0 -38.2 52.0 10.9 32.3 149 164 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.881 107.5 53.0 -66.0 -39.4 52.7 10.3 36.0 150 165 A K H X S+ 0 0 60 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.900 112.6 44.0 -62.0 -44.5 56.1 11.9 35.8 151 166 A L H <>S+ 0 0 0 -4,-1.6 5,-1.9 2,-0.2 3,-0.3 0.838 110.8 54.2 -70.6 -35.1 54.7 15.0 34.2 152 167 A I H ><5S+ 0 0 5 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.910 102.8 57.9 -64.4 -40.6 51.8 15.1 36.7 153 168 A A H 3<5S+ 0 0 5 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.1 54.6 -58.9 -28.7 54.4 15.0 39.5 154 169 A Q T 3<5S- 0 0 104 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.410 121.2-109.5 -85.7 -0.5 55.7 18.2 38.0 155 170 A G T < 5 + 0 0 5 -3,-2.3 -31,-1.5 1,-0.2 -3,-0.2 0.606 60.8 158.5 83.9 15.1 52.4 19.9 38.2 156 171 A L < - 0 0 8 -5,-1.9 -1,-0.2 -33,-0.2 2,-0.1 -0.430 36.6-126.5 -75.1 141.2 51.5 20.0 34.5 157 172 A P > - 0 0 6 0, 0.0 4,-1.9 0, 0.0 3,-0.4 -0.450 31.1 -98.2 -81.4 162.6 47.9 20.3 33.4 158 173 A N H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.852 120.7 52.3 -46.1 -48.8 46.2 17.9 30.9 159 174 A K H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 109.9 46.6 -60.1 -44.2 46.7 20.2 27.9 160 175 A M H > S+ 0 0 78 -3,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.845 111.6 52.1 -68.0 -33.9 50.4 20.7 28.4 161 176 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 3,-0.4 0.889 109.5 51.0 -68.0 -38.8 51.0 17.0 29.0 162 177 A A H X>S+ 0 0 6 -4,-2.1 5,-1.8 1,-0.2 4,-0.5 0.925 109.4 47.3 -63.8 -48.9 49.1 16.2 25.7 163 178 A R H <5S+ 0 0 225 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.586 114.0 52.1 -70.7 -10.3 51.2 18.6 23.6 164 179 A R H <5S+ 0 0 146 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.859 113.7 36.9 -91.6 -45.4 54.3 17.2 25.1 165 180 A L H <5S- 0 0 18 -4,-2.1 -2,-0.2 2,-0.1 -3,-0.1 0.252 107.9-117.3 -93.1 10.3 53.8 13.4 24.6 166 181 A D T <5S+ 0 0 157 -4,-0.5 2,-0.3 1,-0.2 -3,-0.2 0.884 73.3 123.6 54.9 44.1 52.2 13.9 21.1 167 182 A I < - 0 0 41 -5,-1.8 -1,-0.2 -6,-0.2 2,-0.2 -0.880 67.7 -94.4-128.6 161.5 48.8 12.5 22.2 168 183 A T >> - 0 0 86 -2,-0.3 4,-1.4 1,-0.1 3,-0.7 -0.486 30.5-122.5 -75.7 146.4 45.3 13.8 22.1 169 184 A E H 3> S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.836 111.1 61.5 -57.6 -32.1 44.0 15.4 25.3 170 185 A S H 3> S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 104.9 46.0 -62.7 -40.1 41.1 12.8 25.4 171 186 A T H <> S+ 0 0 54 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.771 108.7 56.9 -74.1 -26.7 43.6 9.9 25.7 172 187 A V H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.958 108.5 46.5 -65.7 -49.4 45.5 11.8 28.4 173 188 A K H X S+ 0 0 34 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.881 112.5 50.5 -58.8 -41.6 42.3 12.1 30.5 174 189 A V H X S+ 0 0 86 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.884 113.4 45.4 -65.4 -39.0 41.6 8.4 29.9 175 190 A H H X S+ 0 0 51 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.914 112.5 51.2 -71.0 -41.4 45.1 7.5 31.0 176 191 A V H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 5,-0.2 0.932 112.2 44.1 -62.4 -49.0 45.0 9.8 34.0 177 192 A K H X S+ 0 0 54 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.794 115.5 50.1 -68.9 -26.6 41.7 8.4 35.4 178 193 A H H X S+ 0 0 105 -4,-1.3 4,-1.1 -5,-0.2 -2,-0.2 0.918 114.6 39.2 -77.8 -47.4 42.7 4.8 34.7 179 194 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.725 116.0 55.0 -74.6 -22.7 46.1 4.8 36.4 180 195 A L H <>S+ 0 0 7 -4,-1.6 5,-2.2 -5,-0.3 -2,-0.2 0.965 112.8 39.2 -73.0 -54.3 44.8 7.0 39.2 181 196 A K H <5S+ 0 0 75 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.751 117.6 55.5 -67.0 -21.9 42.0 4.7 40.1 182 197 A K H <5S+ 0 0 57 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.961 107.0 44.3 -75.4 -53.3 44.4 1.9 39.4 183 198 A M T <5S- 0 0 47 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.183 113.7-110.2 -81.4 20.1 47.2 2.9 41.9 184 199 A K T 5S+ 0 0 162 -3,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.868 71.1 143.2 55.4 39.5 44.8 3.7 44.7 185 200 A L < - 0 0 11 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.919 36.6-165.6-110.2 135.1 45.4 7.4 44.4 186 201 A K + 0 0 77 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.719 67.5 16.5 -94.6 -19.9 42.5 9.8 44.9 187 202 A S S > S- 0 0 0 -7,-0.1 4,-1.4 -88,-0.1 -1,-0.1 -0.916 71.4-112.3-146.2 170.0 43.9 13.1 43.5 188 203 A R H > S+ 0 0 11 -2,-0.3 4,-2.2 -111,-0.3 -33,-0.1 0.798 115.9 53.6 -73.6 -34.6 46.7 14.5 41.3 189 204 A V H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.836 109.3 50.7 -68.9 -30.8 48.5 16.2 44.2 190 205 A E H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.861 109.2 50.2 -72.5 -36.5 48.5 12.9 46.0 191 206 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.914 112.6 47.5 -66.7 -41.7 50.0 11.2 42.9 192 207 A A H X S+ 0 0 17 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 112.9 47.6 -65.7 -43.7 52.7 13.9 42.8 193 208 A V H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.902 111.0 52.2 -64.8 -41.8 53.5 13.6 46.5 194 209 A W H X S+ 0 0 45 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.950 108.4 49.7 -58.6 -54.1 53.6 9.8 46.3 195 210 A V H X>S+ 0 0 4 -4,-2.2 5,-1.6 1,-0.2 4,-0.7 0.916 114.6 43.9 -52.0 -49.6 56.1 9.9 43.4 196 211 A H H <5S+ 0 0 111 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.832 109.3 58.5 -67.4 -32.0 58.4 12.3 45.2 197 212 A Q H <5S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.920 118.4 29.8 -63.1 -46.5 58.1 10.4 48.5 198 213 A E H <5S- 0 0 108 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.422 103.7-132.0 -93.7 0.0 59.4 7.2 46.9 199 214 A R T <5 + 0 0 198 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.904 40.3 168.0 47.3 52.5 61.6 9.0 44.4 200 215 A I < 0 0 49 -5,-1.6 -1,-0.1 -6,-0.1 -4,-0.1 0.722 360.0 360.0 -65.0 -22.9 60.4 6.9 41.5 201 216 A F 0 0 106 -6,-0.3 -1,-0.1 -51,-0.0 -2,-0.0 -0.994 360.0 360.0-131.5 360.0 62.0 9.4 39.2