==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-DEC-08 3FHK . COMPND 2 MOLECULE: UPF0403 PROTEIN YPHP; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR U.DEREWENDA,T.BOCZEK,D.R.COOPER,M.YU,L.HUNG,Z.S.DEREWENDA, . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 9.6 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 . 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 . 42 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 39.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.2 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 4 0 0 4 3 4 4 0 1 1 3 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -2 A S > 0 0 52 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.1 64.4 22.2 -10.7 2 -1 A N H > + 0 0 118 1,-0.2 4,-4.4 2,-0.2 5,-0.3 0.813 360.0 70.1 -74.2 -30.3 63.5 23.0 -7.1 3 0 A A H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.949 105.6 39.7 -48.6 -57.8 59.9 24.0 -7.8 4 1 A M H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 118.5 50.3 -58.4 -43.4 59.0 20.4 -8.6 5 2 A S H X S+ 0 0 25 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.863 107.8 51.3 -65.1 -40.4 61.1 19.3 -5.7 6 3 A M H X S+ 0 0 107 -4,-4.4 4,-2.5 2,-0.2 5,-0.2 0.961 112.3 48.0 -57.3 -51.7 59.6 21.7 -3.2 7 4 A A H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.879 109.6 52.4 -57.3 -42.6 56.1 20.4 -4.3 8 5 A Y H X S+ 0 0 27 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.936 111.6 45.6 -61.6 -45.9 57.2 16.8 -3.9 9 6 A E H X S+ 0 0 119 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.901 111.9 51.4 -66.3 -40.4 58.5 17.4 -0.4 10 7 A E H X S+ 0 0 75 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.920 111.3 48.5 -61.6 -42.4 55.4 19.3 0.7 11 8 A Y H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 113.6 45.1 -64.9 -46.8 53.2 16.6 -0.6 12 9 A M H X S+ 0 0 12 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.873 110.5 56.7 -63.9 -36.2 55.2 13.9 1.2 13 10 A R H X S+ 0 0 132 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.919 108.5 46.1 -56.6 -45.3 55.2 16.1 4.3 14 11 A Q H >< S+ 0 0 33 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.891 112.1 49.5 -68.8 -38.5 51.4 16.2 4.2 15 12 A L H 3< S+ 0 0 6 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.721 107.6 56.3 -72.2 -22.3 51.0 12.5 3.7 16 13 A V H >X S+ 0 0 1 -4,-1.4 4,-1.3 -5,-0.2 3,-0.6 0.699 85.4 84.6 -84.0 -18.0 53.4 11.8 6.6 17 14 A V H XX S+ 0 0 29 -4,-0.8 4,-2.9 -3,-0.6 3,-1.2 0.914 89.5 46.4 -52.5 -55.7 51.3 13.8 9.1 18 15 A P H 3> S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.802 107.7 60.5 -60.7 -24.1 48.9 11.1 10.1 19 16 A M H <4 S+ 0 0 10 -3,-0.6 4,-0.4 -4,-0.3 -2,-0.2 0.791 111.9 39.1 -71.0 -27.3 52.0 8.9 10.4 20 17 A R H XX S+ 0 0 42 -4,-1.3 4,-2.6 -3,-1.2 3,-1.8 0.924 112.3 53.5 -80.4 -54.4 53.3 11.3 13.1 21 18 A R H 3X S+ 0 0 174 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.814 95.1 71.2 -53.8 -32.0 49.9 12.0 14.8 22 19 A E H 3< S+ 0 0 66 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.899 114.6 25.4 -50.4 -42.4 49.5 8.2 15.2 23 20 A L H X4>S+ 0 0 0 -3,-1.8 5,-2.0 -4,-0.4 3,-1.3 0.880 124.1 49.7 -85.6 -44.8 52.3 8.4 17.8 24 21 A T H ><5S+ 0 0 43 -4,-2.6 3,-1.8 1,-0.3 -3,-0.2 0.857 105.2 57.1 -71.4 -34.4 52.0 12.0 19.0 25 22 A G T 3<5S+ 0 0 73 -4,-2.8 -1,-0.3 1,-0.3 -3,-0.1 0.568 103.8 58.0 -68.5 -8.8 48.3 11.8 19.6 26 23 A A T < 5S- 0 0 34 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.147 130.5 -93.1-105.7 17.8 49.2 8.9 21.9 27 24 A G T < 5S+ 0 0 55 -3,-1.8 2,-0.6 1,-0.3 54,-0.3 0.449 80.2 139.6 88.0 -1.0 51.5 11.1 24.0 28 25 A F < - 0 0 3 -5,-2.0 2,-0.4 52,-0.1 -1,-0.3 -0.688 50.3-133.0 -75.6 120.8 54.8 10.3 22.2 29 26 A E E -a 82 0A 115 52,-2.4 54,-2.7 -2,-0.6 2,-0.3 -0.618 15.1-129.3 -77.1 128.5 56.8 13.5 22.0 30 27 A E E -a 83 0A 61 -2,-0.4 2,-0.6 52,-0.2 54,-0.2 -0.601 15.8-166.1 -74.8 129.5 58.2 14.4 18.6 31 28 A L + 0 0 1 52,-2.5 54,-0.3 -2,-0.3 58,-0.1 -0.946 18.8 164.3-113.6 107.1 61.9 15.2 18.5 32 29 A T + 0 0 50 -2,-0.6 60,-0.3 52,-0.1 2,-0.3 0.345 55.1 56.4-106.6 4.4 62.3 16.7 15.0 33 30 A T S > S- 0 0 60 58,-0.1 4,-2.3 59,-0.1 5,-0.2 -0.984 77.6-125.4-144.5 142.1 65.6 18.4 15.5 34 31 A A H > S+ 0 0 19 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.870 116.5 51.7 -56.6 -35.5 69.1 17.3 16.5 35 32 A E H > S+ 0 0 67 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.906 107.4 51.0 -67.6 -43.6 69.0 20.0 19.2 36 33 A E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.858 109.6 51.5 -60.6 -37.5 65.6 18.7 20.5 37 34 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.940 111.7 45.8 -65.8 -47.0 67.1 15.2 20.7 38 35 A E H X S+ 0 0 87 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.947 111.7 53.6 -58.3 -49.9 70.1 16.5 22.7 39 36 A N H X S+ 0 0 86 -4,-3.0 4,-0.5 2,-0.2 -2,-0.2 0.933 114.8 38.9 -50.2 -55.3 67.8 18.5 24.9 40 37 A F H >X S+ 0 0 32 -4,-2.4 4,-2.1 1,-0.2 3,-1.7 0.975 117.7 47.5 -61.9 -56.2 65.6 15.6 25.8 41 38 A M H 3< S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.843 109.0 53.4 -59.8 -36.7 68.3 12.9 26.1 42 39 A E H 3< S+ 0 0 108 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.602 121.3 32.4 -74.7 -8.4 70.6 15.1 28.3 43 40 A K H << S+ 0 0 122 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.539 86.5 127.7-118.2 -16.0 67.8 15.7 30.8 44 41 A A < - 0 0 16 -4,-2.1 2,-0.3 -5,-0.1 72,-0.1 -0.128 36.2-171.1 -52.2 134.6 65.8 12.4 30.5 45 42 A E - 0 0 162 2,-0.1 2,-0.1 70,-0.1 34,-0.1 -0.967 47.6 -3.2-128.8 147.2 65.2 10.7 33.9 46 43 A G S S- 0 0 25 -2,-0.3 69,-2.3 33,-0.1 2,-0.3 -0.408 110.3 -14.8 73.0-150.0 63.8 7.3 34.6 47 44 A T E -B 114 0A 1 67,-0.2 33,-2.2 30,-0.1 32,-0.5 -0.630 58.6-172.0 -95.9 147.2 62.6 5.1 31.7 48 45 A T E -Bc 113 80A 0 65,-1.8 65,-3.4 -2,-0.3 2,-0.6 -0.999 17.2-150.9-136.2 133.8 61.9 6.1 28.2 49 46 A L E -Bc 112 81A 1 31,-2.5 33,-2.4 -2,-0.4 2,-0.5 -0.938 19.7-167.0 -97.4 118.5 60.5 4.3 25.2 50 47 A V E -Bc 111 82A 1 61,-3.6 61,-2.3 -2,-0.6 2,-0.6 -0.914 1.9-162.0-104.3 129.5 62.0 5.7 22.0 51 48 A V E -Bc 110 83A 1 31,-2.3 33,-1.9 -2,-0.5 2,-1.0 -0.965 9.9-152.2-112.5 121.8 60.3 4.8 18.8 52 49 A V E -Bc 109 84A 0 57,-3.4 57,-1.5 -2,-0.6 33,-0.2 -0.834 28.0-153.9 -89.3 103.8 62.2 5.3 15.6 53 50 A N E + c 0 85A 2 31,-3.1 33,-1.8 -2,-1.0 2,-0.3 -0.185 17.2 178.6 -80.6 168.9 59.3 5.9 13.2 54 51 A S - 0 0 14 31,-0.2 33,-0.1 2,-0.1 31,-0.0 -0.979 37.5-121.4-165.9 158.7 59.2 5.2 9.4 55 52 A V S S+ 0 0 12 -2,-0.3 5,-0.1 31,-0.3 32,-0.0 0.667 75.0 109.4 -81.0 -19.0 57.0 5.4 6.4 56 53 A C S >> S- 0 0 36 1,-0.1 4,-1.5 261,-0.1 3,-1.1 -0.084 82.0-106.5 -66.8 162.0 57.2 1.7 5.5 57 54 A G H 3> S+ 0 0 29 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.828 115.6 56.0 -54.7 -38.1 54.3 -0.8 5.9 58 55 A C H 3>>S+ 0 0 17 1,-0.2 5,-2.2 2,-0.2 4,-1.2 0.720 103.0 54.4 -80.5 -16.9 55.7 -2.5 8.9 59 56 A A H <4>S+ 0 0 0 -3,-1.1 5,-2.9 3,-0.2 -1,-0.2 0.887 116.4 40.8 -67.5 -43.7 56.0 0.7 10.9 60 57 A A H <5S+ 0 0 11 -4,-1.5 -2,-0.2 256,-0.2 -3,-0.1 0.889 123.5 37.0 -69.2 -44.9 52.3 1.2 10.1 61 58 A G H <5S+ 0 0 36 -4,-3.2 -3,-0.2 -5,-0.2 71,-0.2 0.692 136.7 3.1 -86.9 -20.6 51.2 -2.4 10.6 62 59 A L T X5S+ 0 0 30 -4,-1.2 4,-2.3 -5,-0.3 5,-0.2 0.682 120.5 49.4-130.5 -57.6 53.4 -3.4 13.5 63 60 A A H > S+ 0 0 20 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.913 115.2 48.1 -62.0 -40.8 50.4 0.0 16.9 66 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.907 112.0 49.0 -65.5 -42.5 52.5 -2.2 19.1 67 64 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.911 114.6 42.8 -64.3 -46.7 54.3 0.7 20.8 68 65 A T H X S+ 0 0 20 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.854 117.6 46.0 -73.0 -33.6 51.1 2.7 21.6 69 66 A Q H X S+ 0 0 70 -4,-2.0 4,-2.3 -5,-0.3 5,-0.3 0.889 109.8 52.4 -75.7 -41.0 49.2 -0.3 22.8 70 67 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.921 111.8 48.6 -59.6 -41.1 51.9 -1.8 24.9 71 68 A V H < S+ 0 0 24 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.791 116.9 40.1 -69.8 -30.6 52.2 1.6 26.6 72 69 A L H < S+ 0 0 133 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.744 120.8 42.0 -90.0 -25.1 48.5 2.0 27.3 73 70 A Q H < S+ 0 0 137 -4,-2.3 2,-0.2 -5,-0.1 -2,-0.2 0.740 92.2 88.7 -97.9 -28.0 47.8 -1.6 28.2 74 71 A N < - 0 0 34 -4,-1.9 -4,-0.0 -5,-0.3 66,-0.0 -0.492 64.9-143.2 -80.3 141.2 50.7 -2.6 30.5 75 72 A D S S+ 0 0 149 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.982 95.2 53.1 -60.5 -58.0 50.6 -2.1 34.2 76 73 A K S S+ 0 0 77 64,-0.1 -1,-0.1 71,-0.1 68,-0.1 -0.715 80.1 166.4 -81.5 126.2 54.4 -1.3 34.3 77 74 A T - 0 0 50 -2,-0.5 -30,-0.1 66,-0.1 -6,-0.1 -0.946 38.1 -90.6-143.5 155.2 55.1 1.5 31.8 78 75 A P - 0 0 9 0, 0.0 -30,-0.2 0, 0.0 -32,-0.1 -0.316 25.4-134.6 -66.3 150.3 57.9 3.9 30.8 79 76 A D S S+ 0 0 105 -32,-0.5 2,-0.3 1,-0.1 -31,-0.2 0.815 89.5 31.7 -69.8 -34.2 58.0 7.4 32.4 80 77 A N E - c 0 48A 48 -33,-2.2 -31,-2.5 2,-0.0 2,-0.4 -0.928 60.7-167.8-127.8 154.0 58.6 9.0 29.0 81 78 A T E + c 0 49A 26 -2,-0.3 -52,-2.4 -54,-0.3 2,-0.3 -0.995 20.1 157.4-139.3 129.4 57.7 8.3 25.4 82 79 A V E -ac 29 50A 2 -33,-2.4 -31,-2.3 -2,-0.4 2,-0.3 -0.958 18.3-155.2-149.2 163.0 59.3 10.0 22.4 83 80 A T E -ac 30 51A 5 -54,-2.7 -52,-2.5 -2,-0.3 2,-0.4 -0.994 9.7-161.7-145.9 149.7 59.9 9.5 18.7 84 81 A V E - c 0 52A 2 -33,-1.9 -31,-3.1 -2,-0.3 2,-0.8 -0.969 25.2-131.8-124.2 146.1 62.1 10.4 15.9 85 82 A F E >> - c 0 53A 4 -2,-0.4 4,-3.0 -54,-0.3 3,-1.4 -0.818 19.4-143.5-105.7 99.0 61.0 9.9 12.3 86 83 A A T 34 S+ 0 0 11 -33,-1.8 -31,-0.3 -2,-0.8 4,-0.1 -0.257 83.3 13.7 -60.3 140.3 63.7 8.2 10.2 87 84 A G T 34 S+ 0 0 48 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.146 128.7 55.4 84.4 -23.5 63.9 9.4 6.6 88 85 A Q T <4 S+ 0 0 65 -3,-1.4 2,-0.7 1,-0.2 -2,-0.2 0.793 115.8 29.5-105.3 -51.4 61.8 12.5 7.4 89 86 A D S X S+ 0 0 26 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 -0.755 76.8 170.0-106.5 81.9 63.7 14.1 10.2 90 87 A K H > S+ 0 0 155 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.872 71.2 46.3 -66.2 -42.3 67.2 12.9 9.3 91 88 A E H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 111.7 53.3 -71.8 -37.7 69.3 15.0 11.7 92 89 A A H > S+ 0 0 1 -60,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.968 113.5 41.0 -58.1 -53.8 67.0 14.2 14.6 93 90 A T H X S+ 0 0 5 -4,-2.2 4,-2.8 -8,-0.2 -2,-0.2 0.883 112.4 54.3 -68.5 -35.8 67.2 10.4 14.1 94 91 A A H X S+ 0 0 54 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.887 111.9 46.9 -59.4 -40.3 71.0 10.5 13.3 95 92 A K H < S+ 0 0 38 -4,-2.1 4,-0.5 2,-0.2 3,-0.3 0.897 111.6 49.0 -67.2 -44.8 71.4 12.3 16.7 96 93 A M H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 4,-0.5 0.936 107.6 56.0 -60.3 -43.8 69.2 9.8 18.6 97 94 A R H >< S+ 0 0 68 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.798 92.2 70.4 -62.5 -27.7 71.0 6.9 17.1 98 95 A E T 3< S+ 0 0 127 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.770 97.9 52.3 -57.3 -26.1 74.3 8.3 18.4 99 96 A Y T < S+ 0 0 32 -3,-1.9 2,-1.8 -4,-0.5 19,-0.4 0.637 87.0 83.8 -84.6 -17.8 73.0 7.3 21.9 100 97 A F S X S- 0 0 7 -3,-1.4 3,-2.3 -4,-0.5 -1,-0.2 -0.409 74.2-164.2 -86.3 61.1 72.2 3.7 20.9 101 98 A T T 3 S+ 0 0 137 -2,-1.8 3,-0.1 1,-0.3 17,-0.1 -0.179 71.0 15.1 -54.0 129.0 75.8 2.5 21.5 102 99 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 -0.013 101.7 114.0 98.3 -29.9 76.4 -0.9 19.9 103 100 A A < - 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0 0 9 31,-0.2 33,-0.1 2,-0.2 31,-0.0 -0.973 41.4-109.2-161.1 171.2 47.0 13.4 -21.2 200 52 D V S S+ 0 0 24 31,-0.3 2,-0.1 -2,-0.3 -2,-0.0 0.201 77.8 109.0 -91.6 16.5 49.3 12.0 -18.5 201 53 D C S > S- 0 0 35 1,-0.1 4,-1.5 4,-0.0 -2,-0.2 -0.345 78.2-107.6 -93.0 174.4 49.8 8.5 -19.9 202 54 D G H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.799 114.3 53.7 -72.0 -32.1 52.7 6.7 -21.6 203 55 D C H >>S+ 0 0 12 2,-0.2 5,-2.4 1,-0.2 4,-1.5 0.824 107.0 53.6 -75.5 -26.9 51.5 6.7 -25.2 204 56 D A H 4>S+ 0 0 0 3,-0.2 5,-2.4 4,-0.2 -2,-0.2 0.935 115.3 42.1 -63.1 -44.4 51.0 10.5 -24.9 205 57 D A H <5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.928 125.9 30.0 -68.0 -49.7 54.6 10.7 -23.8 206 58 D G H <5S+ 0 0 22 -4,-2.9 -1,-0.2 3,-0.1 -3,-0.2 0.520 136.8 11.9 -94.5 -7.9 56.2 8.3 -26.2 207 59 D L T X5S+ 0 0 31 -4,-1.5 4,-2.4 -5,-0.2 -3,-0.2 0.605 119.7 41.9-131.4 -66.8 53.9 8.6 -29.2 208 60 D A H > S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.896 116.0 49.6 -62.5 -37.8 56.4 13.6 -30.1 211 63 D A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.916 113.0 44.8 -67.0 -44.9 54.4 12.7 -33.2 212 64 D A H X S+ 0 0 0 -4,-3.3 4,-2.1 -5,-0.2 5,-0.3 0.963 115.2 47.4 -64.9 -50.2 52.4 15.9 -33.2 213 65 D T H X S+ 0 0 17 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.853 113.6 45.7 -61.2 -43.1 55.4 18.2 -32.5 214 66 D Q H X S+ 0 0 75 -4,-2.0 4,-3.6 -5,-0.2 5,-0.4 0.958 109.9 56.2 -64.8 -49.5 57.6 16.7 -35.2 215 67 D A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.926 111.4 40.4 -47.3 -59.6 54.9 16.7 -37.8 216 68 D V H < S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 119.5 48.0 -60.4 -38.4 54.1 20.4 -37.5 217 69 D L H < S+ 0 0 98 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.918 124.1 26.6 -69.9 -43.3 57.9 21.2 -37.3 218 70 D Q H < S+ 0 0 127 -4,-3.6 2,-0.3 -5,-0.1 -2,-0.2 0.538 95.9 96.7-106.4 -7.1 59.1 19.1 -40.2 219 71 D N < - 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g 0 197B 0 -33,-1.5 -31,-2.7 -2,-0.3 2,-1.0 -0.971 25.7-129.8-116.1 139.4 43.7 20.8 -24.2 230 82 D F E >> - g 0 198B 2 -2,-0.4 4,-3.1 -54,-0.4 3,-1.2 -0.757 21.7-140.7 -93.8 97.2 45.0 18.7 -21.3 231 83 D A T 34 S+ 0 0 8 -33,-2.1 -31,-0.3 -2,-1.0 4,-0.1 -0.289 83.8 5.6 -54.6 131.6 42.6 15.8 -20.7 232 84 D G T 34 S+ 0 0 44 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.129 129.2 59.8 84.4 -23.1 42.0 15.1 -17.0 233 85 D Q T <4 S+ 0 0 61 -3,-1.2 2,-0.5 1,-0.2 -2,-0.2 0.795 116.0 28.0-102.5 -45.7 44.1 18.1 -15.9 234 86 D D S X S+ 0 0 24 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 -0.694 81.2 170.2-111.4 74.3 42.1 20.9 -17.5 235 87 D K H > S+ 0 0 126 -2,-0.5 4,-2.7 -3,-0.2 5,-0.2 0.885 70.3 44.1 -54.7 -51.9 38.8 19.0 -17.4 236 88 D E H > S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 111.9 52.7 -69.3 -39.2 36.3 21.7 -18.5 237 89 D A H > S+ 0 0 0 -60,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.908 112.9 47.7 -54.9 -43.3 38.6 23.0 -21.3 238 90 D T H X S+ 0 0 4 -4,-2.0 4,-2.7 -8,-0.2 -2,-0.2 0.932 110.4 48.6 -67.8 -48.1 38.7 19.4 -22.5 239 91 D A H X S+ 0 0 55 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.904 112.5 50.6 -59.1 -42.5 34.9 18.8 -22.3 240 92 D K H >X S+ 0 0 46 -4,-2.6 3,-1.4 1,-0.2 4,-0.5 0.957 111.9 45.3 -61.0 -52.4 34.3 22.0 -24.1 241 93 D M H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 4,-0.4 0.902 105.4 62.0 -59.0 -41.9 36.7 21.3 -27.0 242 94 D R H >< S+ 0 0 71 -4,-2.7 3,-0.7 1,-0.3 -1,-0.3 0.706 93.7 65.7 -58.1 -19.3 35.3 17.7 -27.2 243 95 D E H << S+ 0 0 120 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.741 92.7 59.1 -74.6 -24.3 32.0 19.3 -28.1 244 96 D Y T << S+ 0 0 47 -3,-2.0 2,-0.9 -4,-0.5 19,-0.5 0.586 90.8 75.1 -78.8 -9.0 33.4 20.7 -31.4 245 97 D F X + 0 0 6 -3,-0.7 3,-0.9 -4,-0.4 -1,-0.2 -0.509 61.2 168.2 -99.5 62.9 34.2 17.1 -32.4 246 98 D T T 3 S+ 0 0 144 -2,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.771 75.3 38.2 -50.5 -33.8 30.6 16.2 -33.2 247 99 D G T 3 S+ 0 0 79 -3,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.724 99.9 88.5 -91.0 -23.2 31.6 13.0 -34.9 248 100 D A < - 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o 0 525D 3 31,-3.5 33,-2.0 -2,-0.9 2,-0.3 -0.285 16.8-172.5 -80.6 163.5 66.7 29.7 -26.3 494 51 F S - 0 0 4 31,-0.2 33,-0.1 2,-0.2 31,-0.0 -0.982 37.6-126.8-155.9 156.5 63.8 28.8 -24.0 495 52 F V S S+ 0 0 18 -2,-0.3 5,-0.1 31,-0.3 -1,-0.1 0.618 78.8 111.1 -80.1 -14.0 61.3 26.1 -23.2 496 53 F C S >> S- 0 0 19 1,-0.1 4,-1.5 -326,-0.1 3,-0.7 -0.106 80.4-113.2 -68.5 159.3 58.5 28.8 -23.6 497 54 F G H 3> S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.762 113.3 55.1 -64.1 -30.7 55.9 29.0 -26.3 498 55 F C H 3>>S+ 0 0 12 2,-0.2 5,-2.4 1,-0.2 4,-1.9 0.776 103.5 56.8 -77.5 -23.8 57.2 32.3 -27.9 499 56 F A H <4>S+ 0 0 0 -3,-0.7 5,-2.4 3,-0.2 -2,-0.2 0.936 114.0 40.1 -64.0 -47.2 60.6 30.7 -28.3 500 57 F A H <5S+ 0 0 9 -4,-1.5 -2,-0.2 -331,-0.3 -3,-0.1 0.963 124.6 35.2 -65.2 -53.9 59.0 27.9 -30.3 501 58 F G H <5S+ 0 0 31 -4,-2.7 -3,-0.2 -332,-0.2 -1,-0.2 0.740 136.3 4.9 -77.4 -24.9 56.5 30.0 -32.3 502 59 F L T X5S+ 0 0 34 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.732 119.2 50.6-129.4 -59.0 58.5 33.2 -32.8 503 60 F A H > S+ 0 0 19 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.942 115.5 48.7 -62.6 -47.2 61.7 30.5 -36.6 506 63 F A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.932 112.0 50.0 -58.6 -44.9 62.4 34.2 -36.9 507 64 F A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.932 115.5 41.5 -61.1 -46.4 66.0 33.7 -36.1 508 65 F T H X S+ 0 0 29 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.898 116.9 47.2 -70.1 -40.5 66.5 31.0 -38.7 509 66 F Q H X S+ 0 0 73 -4,-3.2 4,-2.7 -5,-0.2 3,-0.4 0.903 112.3 53.0 -65.7 -38.5 64.4 32.7 -41.4 510 67 F A H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.919 104.9 51.0 -63.2 -48.6 66.2 35.9 -40.7 511 68 F V H < S+ 0 0 33 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.711 117.9 41.6 -64.6 -18.9 69.8 34.5 -41.2 512 69 F L H < S+ 0 0 152 -4,-0.8 2,-1.3 -3,-0.4 -2,-0.2 0.859 108.9 55.8 -97.2 -43.2 68.7 33.0 -44.5 513 70 F Q S < S+ 0 0 124 -4,-2.7 2,-0.2 -5,-0.1 -1,-0.2 -0.539 94.4 78.6 -92.6 68.1 66.6 35.8 -46.0 514 71 F N - 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