==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAR-09 2WEI . COMPND 2 MOLECULE: CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: CRYPTOSPORIDIUM PARVUM IOWA II; . AUTHOR A.K.ROOS,O.KING,A.CHAIKUAD,C.ZHANG,K.M.SHOKAT,A.K.WERNIMONT, . 278 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 2 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 . 10 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 4 0 1 0 2 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 2 0 1 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 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 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 -8 A S 0 0 142 0, 0.0 4,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 173.5 38.3 -12.4 -26.3 2 -7 A G > - 0 0 48 3,-0.1 4,-2.4 2,-0.1 5,-0.2 0.027 360.0 -85.6 93.1 150.9 41.0 -13.0 -29.0 3 -6 A R H > S+ 0 0 218 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.932 123.0 45.3 -57.5 -54.2 41.8 -16.4 -30.7 4 -5 A E H > S+ 0 0 134 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.936 116.1 44.8 -58.1 -52.0 44.3 -17.7 -28.1 5 -4 A N H > S+ 0 0 90 -4,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.910 113.6 50.5 -62.0 -42.3 42.3 -16.8 -25.0 6 -3 A L H < S+ 0 0 95 -4,-2.4 3,-0.4 2,-0.2 4,-0.3 0.891 110.2 51.0 -61.1 -38.4 39.1 -18.2 -26.6 7 -2 A Y H >< S+ 0 0 177 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.954 110.1 48.7 -65.2 -47.0 40.9 -21.4 -27.4 8 -1 A F H 3< S+ 0 0 122 -4,-2.7 77,-0.5 1,-0.3 -1,-0.2 0.629 90.3 81.1 -68.3 -13.0 42.1 -21.7 -23.8 9 0 A Q T 3X S- 0 0 54 -4,-1.0 4,-0.5 -3,-0.4 3,-0.5 0.617 89.6-162.6 -69.1 -12.9 38.6 -21.0 -22.5 10 70 A G H <> - 0 0 29 -3,-1.7 4,-1.2 -4,-0.3 3,-0.3 -0.199 38.8 -17.5 73.8-150.4 38.1 -24.7 -23.3 11 71 A T H > S+ 0 0 41 72,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.736 122.8 62.6 -80.5 -26.7 35.0 -26.8 -23.8 12 72 A F H > S+ 0 0 11 -3,-0.5 4,-2.9 71,-0.3 -1,-0.2 0.926 106.8 44.0 -60.8 -48.3 32.4 -24.5 -22.1 13 73 A A H < S+ 0 0 13 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.2 0.823 114.6 51.2 -68.2 -33.1 32.9 -21.7 -24.7 14 74 A E H < S+ 0 0 151 -4,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.909 120.1 33.8 -64.3 -46.1 32.9 -24.2 -27.5 15 75 A R H < S+ 0 0 101 -4,-2.3 21,-2.9 1,-0.1 22,-0.4 0.791 119.3 43.3 -84.5 -32.5 29.7 -25.9 -26.4 16 76 A Y E < -A 35 0A 11 -4,-2.9 2,-0.4 19,-0.2 19,-0.2 -0.918 57.4-152.1-127.7 144.7 27.7 -23.0 -24.9 17 77 A N E -A 34 0A 76 17,-2.4 17,-2.8 -2,-0.4 2,-0.5 -0.933 25.7-126.2-108.0 132.8 26.9 -19.4 -25.7 18 78 A I E +A 33 0A 70 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.681 25.7 179.7 -72.7 122.6 26.1 -16.9 -22.9 19 79 A V E - 0 0 69 13,-2.7 2,-0.3 -2,-0.5 14,-0.2 0.870 60.7 -32.4 -88.9 -47.7 22.7 -15.1 -23.5 20 80 A C E -A 32 0A 51 12,-1.5 12,-2.7 0, 0.0 -1,-0.4 -0.987 61.5 -90.7-165.6 163.8 22.7 -12.9 -20.4 21 81 A M E -A 31 0A 96 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.642 28.3-174.2 -79.0 140.6 23.6 -12.5 -16.7 22 82 A L E - 0 0 90 8,-2.7 2,-0.2 1,-0.3 9,-0.2 0.606 50.1 -83.9-109.1 -20.3 21.0 -13.7 -14.2 23 83 A G E -A 30 0A 24 7,-1.4 7,-2.8 2,-0.0 2,-0.5 -0.692 50.1 -56.0 138.7 169.1 22.6 -12.6 -10.9 24 84 A K E -A 29 0A 41 5,-0.2 5,-0.2 -2,-0.2 2,-0.2 -0.715 51.6-178.6 -80.7 125.0 25.1 -13.4 -8.2 25 85 A G E > -A 28 0A 19 3,-2.7 3,-0.9 -2,-0.5 144,-0.1 -0.595 45.2 -66.9-107.1 175.6 24.5 -16.8 -6.5 26 86 A S T 3 S+ 0 0 11 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 -0.402 122.3 8.0 -56.7 139.4 26.4 -18.4 -3.7 27 87 A F T 3 S- 0 0 5 -3,-0.1 21,-0.4 -2,-0.0 2,-0.3 0.124 131.6 -8.3 80.9 -23.6 30.0 -19.2 -4.9 28 88 A G E < S-A 25 0A 6 -3,-0.9 -3,-2.7 19,-0.2 2,-0.3 -0.989 82.8 -58.6 179.2 179.1 29.7 -17.5 -8.3 29 89 A E E -AB 24 46A 78 17,-1.3 17,-2.8 -2,-0.3 2,-0.4 -0.687 41.4-144.6 -88.1 141.2 27.8 -15.6 -11.0 30 90 A V E +AB 23 45A 31 -7,-2.8 -8,-2.7 -2,-0.3 -7,-1.4 -0.913 21.1 178.3-108.8 136.2 24.9 -17.3 -12.7 31 91 A L E -AB 21 44A 24 13,-2.4 13,-2.7 -2,-0.4 2,-0.5 -0.915 31.6-118.4-130.1 154.1 24.2 -16.8 -16.4 32 92 A K E +AB 20 43A 52 -12,-2.7 -13,-2.7 -2,-0.3 -12,-1.5 -0.851 42.8 177.3 -89.5 128.8 21.6 -18.0 -18.9 33 93 A C E -AB 18 42A 0 9,-2.7 9,-2.8 -2,-0.5 2,-0.4 -0.866 21.8-137.7-128.9 166.1 23.4 -20.0 -21.6 34 94 A K E -AB 17 41A 10 -17,-2.8 -17,-2.4 -2,-0.3 2,-0.5 -0.985 22.3-120.4-125.1 137.8 22.4 -21.9 -24.7 35 95 A D E > -A 16 0A 25 5,-2.8 4,-2.7 -2,-0.4 -19,-0.2 -0.621 28.0-144.2 -68.7 121.2 23.8 -25.2 -26.0 36 96 A R T 4 S+ 0 0 109 -21,-2.9 -1,-0.2 -2,-0.5 -20,-0.1 0.924 93.3 43.3 -61.4 -43.3 25.1 -24.1 -29.4 37 97 A I T 4 S+ 0 0 161 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.921 127.8 26.6 -67.1 -46.3 24.2 -27.3 -31.2 38 98 A T T 4 S- 0 0 84 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.642 90.5-138.1 -96.5 -15.5 20.7 -27.9 -29.7 39 99 A Q < + 0 0 139 -4,-2.7 2,-0.2 1,-0.2 -3,-0.1 0.473 52.9 144.8 65.4 7.3 19.8 -24.3 -28.9 40 100 A Q - 0 0 36 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.3 -0.493 46.4-125.6 -73.2 142.9 18.3 -25.4 -25.5 41 101 A E E +B 34 0A 100 -7,-0.2 53,-0.4 -2,-0.2 2,-0.3 -0.691 32.6 168.5 -98.7 146.1 18.8 -23.0 -22.7 42 102 A Y E -B 33 0A 55 -9,-2.8 -9,-2.7 -2,-0.3 2,-0.4 -0.866 35.1-108.5-140.5 168.3 20.4 -23.7 -19.3 43 103 A A E -BC 32 92A 13 49,-2.6 49,-2.9 -2,-0.3 2,-0.4 -0.885 32.1-164.7 -97.1 138.7 21.6 -22.0 -16.2 44 104 A V E -BC 31 91A 0 -13,-2.7 -13,-2.4 -2,-0.4 2,-0.6 -0.995 9.1-154.0-125.6 129.8 25.4 -21.9 -15.7 45 105 A K E -BC 30 90A 20 45,-2.6 45,-2.7 -2,-0.4 2,-0.6 -0.933 10.2-154.7-100.2 126.1 27.2 -21.1 -12.5 46 106 A V E -BC 29 89A 29 -17,-2.8 -17,-1.3 -2,-0.6 2,-0.5 -0.888 14.0-173.3-105.6 115.8 30.7 -19.8 -13.0 47 107 A I E - C 0 88A 0 41,-2.7 41,-2.6 -2,-0.6 -19,-0.2 -0.945 25.2-123.7-119.4 120.4 33.0 -20.4 -10.0 48 108 A N E > - C 0 87A 83 -2,-0.5 3,-2.2 -21,-0.4 39,-0.3 -0.389 19.0-132.6 -60.4 134.4 36.5 -19.0 -9.7 49 109 A K G > S+ 0 0 53 37,-3.0 3,-1.6 1,-0.3 -1,-0.1 0.771 106.1 68.6 -62.1 -25.1 38.9 -21.9 -9.1 50 110 A A G 3 S+ 0 0 78 36,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.680 92.5 62.4 -61.6 -20.0 40.4 -19.8 -6.2 51 111 A S G < S+ 0 0 21 -3,-2.2 116,-2.9 -24,-0.1 -1,-0.2 0.446 75.7 116.0 -87.4 -3.6 37.1 -20.5 -4.4 52 112 A A B < -E 166 0B 22 -3,-1.6 114,-0.3 114,-0.2 113,-0.1 -0.474 53.2-158.3 -63.7 133.9 37.6 -24.3 -4.3 53 113 A K S S+ 0 0 87 112,-3.0 2,-0.5 -2,-0.2 113,-0.2 0.784 80.8 61.8 -79.4 -29.3 37.8 -25.6 -0.8 54 114 A N S S- 0 0 66 111,-0.7 6,-0.1 1,-0.1 -1,-0.1 -0.879 70.4-154.7-104.6 127.7 39.6 -28.7 -2.0 55 115 A K S S+ 0 0 206 -2,-0.5 2,-0.9 1,-0.1 -1,-0.1 0.641 78.8 82.3 -75.7 -13.3 42.9 -28.2 -3.8 56 116 A D >> - 0 0 80 1,-0.2 3,-1.4 2,-0.0 4,-1.1 -0.796 64.4-164.4 -93.1 101.4 42.5 -31.5 -5.7 57 117 A T H 3> S+ 0 0 44 -2,-0.9 4,-2.4 1,-0.3 3,-0.3 0.858 84.7 65.7 -55.3 -34.9 40.3 -30.6 -8.7 58 118 A S H 3> S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.814 98.2 53.5 -58.9 -30.8 39.6 -34.3 -9.4 59 119 A T H <> S+ 0 0 34 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.869 107.5 50.4 -71.8 -36.9 37.7 -34.5 -6.0 60 120 A I H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 5,-0.2 0.949 111.3 48.4 -63.1 -46.3 35.5 -31.6 -7.0 61 121 A L H X S+ 0 0 47 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.903 112.3 49.4 -60.6 -41.8 34.7 -33.3 -10.4 62 122 A R H X S+ 0 0 144 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.936 110.4 50.3 -62.6 -45.4 34.0 -36.6 -8.6 63 123 A E H X S+ 0 0 71 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.951 113.5 44.5 -58.1 -49.6 31.6 -34.9 -6.1 64 124 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.881 108.9 57.2 -67.0 -36.7 29.7 -33.1 -8.8 65 125 A E H X S+ 0 0 72 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.868 106.5 50.5 -58.5 -39.3 29.6 -36.3 -11.0 66 126 A L H >< S+ 0 0 62 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.925 109.5 50.9 -63.7 -41.4 27.9 -38.0 -8.0 67 127 A L H >< S+ 0 0 18 -4,-2.0 3,-1.1 1,-0.2 11,-0.3 0.859 102.9 59.8 -65.6 -33.8 25.4 -35.2 -7.8 68 128 A K H 3< S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.789 99.9 57.3 -61.3 -29.6 24.6 -35.4 -11.5 69 129 A K T << S+ 0 0 159 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.618 89.7 93.5 -80.1 -13.2 23.4 -39.0 -11.1 70 130 A L < - 0 0 23 -3,-1.1 2,-0.3 -4,-0.4 8,-0.3 -0.463 54.5-170.9 -82.6 156.9 20.8 -38.0 -8.5 71 131 A D + 0 0 108 -2,-0.1 5,-0.1 6,-0.1 6,-0.0 -0.895 19.9 141.4-156.1 112.9 17.2 -37.3 -9.5 72 132 A H > - 0 0 28 3,-0.4 3,-1.9 -2,-0.3 53,-0.0 -0.976 50.6-122.4-152.9 141.1 14.4 -35.8 -7.4 73 133 A P T 3 S+ 0 0 74 0, 0.0 4,-0.1 0, 0.0 52,-0.0 0.660 112.0 46.9 -64.7 -13.4 11.6 -33.3 -8.4 74 134 A N T 3 S+ 0 0 11 47,-0.1 83,-2.9 82,-0.1 2,-0.4 0.183 98.9 79.9-110.3 11.9 12.6 -30.8 -5.7 75 135 A I B < S-f 157 0C 18 -3,-1.9 -3,-0.4 81,-0.2 83,-0.2 -0.984 88.9-111.0-118.5 128.1 16.3 -30.9 -6.3 76 136 A M - 0 0 39 81,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.362 33.8-126.1 -54.9 131.0 17.9 -28.9 -9.2 77 137 A K - 0 0 42 -4,-0.1 16,-2.1 -2,-0.1 2,-0.4 -0.657 20.1-153.0 -79.9 132.6 19.2 -31.2 -11.9 78 138 A L E +D 92 0A 21 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.869 16.1 179.0-105.1 144.5 22.8 -30.7 -13.0 79 139 A F E + 0 0 81 12,-3.2 2,-0.3 -2,-0.4 13,-0.2 0.754 59.4 3.4-112.9 -36.0 24.0 -31.7 -16.5 80 140 A E E -D 91 0A 30 11,-1.8 11,-2.5 2,-0.0 2,-0.4 -0.999 40.3-157.1-153.6 147.6 27.7 -30.8 -16.7 81 141 A I E +D 90 0A 12 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.985 29.5 169.6-125.2 122.5 30.8 -29.5 -14.9 82 142 A L E -D 89 0A 19 7,-2.6 7,-2.8 -2,-0.4 2,-0.3 -0.750 12.0-157.0-122.0 168.0 33.4 -28.1 -17.2 83 143 A E E -D 88 0A 65 -2,-0.2 -72,-0.5 5,-0.2 -71,-0.3 -0.988 16.8-176.9-143.2 156.6 36.6 -26.0 -16.5 84 144 A D - 0 0 22 3,-2.4 -75,-0.1 -2,-0.3 -74,-0.0 -0.670 57.9 -79.1-131.0-165.3 39.1 -23.7 -17.9 85 145 A S S S+ 0 0 107 -77,-0.5 -76,-0.1 -2,-0.2 3,-0.1 0.809 127.9 29.9 -66.6 -28.8 42.3 -22.3 -16.2 86 146 A S S S+ 0 0 76 1,-0.1 -37,-3.0 -37,-0.1 -36,-0.4 0.683 119.4 29.2 -99.7 -24.6 40.4 -19.8 -14.1 87 147 A S E -C 48 0A 14 -39,-0.3 -3,-2.4 -38,-0.1 2,-0.3 -0.930 54.7-131.2-146.3 154.2 36.9 -21.2 -13.5 88 148 A F E -CD 47 83A 0 -41,-2.6 -41,-2.7 -2,-0.3 2,-0.5 -0.851 24.5-154.8 -97.7 145.8 34.5 -24.1 -13.0 89 149 A Y E -CD 46 82A 25 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.6 -0.985 7.0-168.5-124.6 112.4 31.3 -24.0 -15.1 90 150 A I E -CD 45 81A 8 -45,-2.7 -45,-2.6 -2,-0.5 2,-0.4 -0.934 8.0-164.0-108.4 116.4 28.3 -25.9 -13.6 91 151 A V E +CD 44 80A 0 -11,-2.5 -12,-3.2 -2,-0.6 -11,-1.8 -0.851 23.8 135.7-105.2 130.5 25.5 -26.3 -16.1 92 152 A G E -CD 43 78A 0 -49,-2.9 -49,-2.6 -2,-0.4 -14,-0.2 -0.844 52.3 -33.9-155.9-170.8 22.0 -27.2 -15.0 93 153 A E - 0 0 56 -16,-2.1 2,-0.4 -2,-0.2 -51,-0.1 -0.286 53.5-132.2 -59.2 138.8 18.3 -26.6 -15.3 94 154 A L - 0 0 47 -53,-0.4 2,-0.3 -3,-0.0 -1,-0.1 -0.777 23.3-169.4 -94.6 131.9 17.1 -23.0 -15.9 95 155 A Y - 0 0 26 -2,-0.4 53,-0.2 1,-0.1 52,-0.2 -0.785 15.9-170.3-117.2 158.5 14.3 -21.7 -13.6 96 156 A T + 0 0 79 51,-1.7 52,-0.2 50,-0.3 51,-0.2 0.338 64.8 86.1-132.8 6.9 12.3 -18.5 -14.0 97 157 A G S S- 0 0 18 49,-1.8 50,-0.2 1,-0.3 51,-0.1 0.498 83.1-132.8 -89.3 -4.8 10.2 -18.1 -10.8 98 158 A G - 0 0 34 48,-0.4 48,-3.1 49,-0.1 -1,-0.3 -0.316 39.4 -48.3 80.4-168.8 12.8 -16.4 -8.6 99 159 A E B > -G 145 0C 56 46,-0.2 4,-1.4 1,-0.1 3,-0.3 -0.593 44.3-110.2-106.8 162.4 13.6 -17.5 -5.1 100 160 A L H > S+ 0 0 1 44,-2.9 4,-2.0 41,-1.2 42,-0.2 0.846 116.0 59.1 -57.4 -34.5 11.5 -18.3 -2.0 101 161 A F H > S+ 0 0 65 40,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.900 101.1 55.1 -66.1 -36.8 12.7 -15.0 -0.2 102 162 A D H > S+ 0 0 78 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.913 109.6 48.0 -52.4 -41.7 11.3 -13.0 -3.1 103 163 A E H X S+ 0 0 43 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.834 108.7 52.8 -73.1 -32.5 8.0 -14.8 -2.3 104 164 A I H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.926 108.8 50.1 -64.2 -46.4 8.3 -14.1 1.4 105 165 A I H < S+ 0 0 99 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.8 44.2 -56.8 -42.4 8.8 -10.4 0.7 106 166 A K H < S+ 0 0 151 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 125.7 27.1 -67.8 -50.4 5.7 -10.5 -1.5 107 167 A R H < S- 0 0 74 -4,-2.5 2,-2.1 1,-0.1 -3,-0.2 0.692 81.6-159.5 -91.3 -25.2 3.2 -12.5 0.6 108 168 A K S < S+ 0 0 140 -4,-2.6 2,-0.3 -5,-0.3 -1,-0.1 -0.305 72.1 19.4 76.0 -52.9 4.7 -11.6 4.1 109 169 A R S S- 0 0 104 -2,-2.1 2,-0.4 100,-0.1 99,-0.2 -0.977 73.0-140.5-144.3 151.7 3.1 -14.6 5.8 110 170 A F - 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0 0 35 -4,-0.8 -44,-0.1 -3,-0.3 14,-0.0 -0.391 65.2-121.6 -72.9 134.2 22.7 -21.7 10.2 183 243 A A >> - 0 0 1 -46,-0.3 4,-1.8 -2,-0.1 3,-0.9 -0.480 19.0-121.4 -73.9 144.0 22.6 -24.5 12.8 184 244 A P H 3> S+ 0 0 2 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.876 112.4 52.9 -54.3 -41.4 24.4 -23.9 16.0 185 245 A E H 34>S+ 0 0 1 70,-0.2 5,-2.3 2,-0.2 4,-0.3 0.770 103.5 58.1 -66.7 -26.8 26.6 -27.0 15.6 186 246 A V H X45S+ 0 0 19 -3,-0.9 3,-1.6 2,-0.2 -1,-0.2 0.929 103.6 52.4 -64.4 -44.7 27.7 -25.7 12.1 187 247 A L H 3<5S+ 0 0 66 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.858 107.7 53.4 -57.7 -32.6 28.9 -22.5 13.8 188 248 A R T 3<5S- 0 0 129 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.540 117.7-114.3 -81.3 -9.0 30.9 -24.8 16.1 189 249 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.635 87.1 102.9 89.9 16.8 32.5 -26.7 13.2 190 250 A T < + 0 0 93 -5,-2.3 2,-0.2 2,-0.0 -2,-0.1 -0.753 46.6 157.3-138.3 86.0 30.9 -30.0 13.8 191 251 A Y + 0 0 98 -2,-0.3 2,-0.2 -5,-0.1 -56,-0.0 -0.712 16.3 167.8-118.0 155.8 28.0 -30.8 11.4 192 252 A D > - 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0 0 34 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.591 16.1-139.1 -79.6 148.5 12.9 -14.9 12.1 213 273 A P S S+ 0 0 4 0, 0.0 2,-0.6 0, 0.0 19,-0.2 0.850 100.0 42.9 -70.0 -35.6 13.3 -17.0 15.4 214 274 A F S S+ 0 0 1 -34,-0.3 2,-0.2 17,-0.1 8,-0.1 -0.967 87.1 166.7-114.3 111.9 16.9 -15.8 15.9 215 275 A Y + 0 0 128 -2,-0.6 2,-0.2 6,-0.1 10,-0.2 -0.606 10.4 140.1-125.3 174.9 17.0 -12.1 15.1 216 276 A G - 0 0 21 -2,-0.2 6,-0.0 1,-0.1 -2,-0.0 -0.815 55.4 -95.8 157.3 168.0 19.2 -9.0 15.5 217 277 A K S S+ 0 0 142 -2,-0.2 2,-0.3 5,-0.0 -1,-0.1 0.482 102.3 13.7 -87.4 -8.6 20.5 -5.7 14.0 218 278 A N S > S- 0 0 62 1,-0.1 4,-2.0 -42,-0.1 5,-0.2 -0.938 88.7 -89.6-158.2 171.9 23.7 -7.3 12.7 219 279 A E H > S+ 0 0 75 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.899 120.6 51.9 -57.2 -48.3 25.4 -10.6 12.1 220 280 A Y H > S+ 0 0 151 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.923 109.4 48.8 -53.8 -51.9 27.0 -10.8 15.5 221 281 A D H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.880 113.3 47.5 -61.0 -40.9 23.7 -10.2 17.4 222 282 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 3,-0.5 0.953 112.5 48.3 -64.8 -47.7 21.9 -12.9 15.2 223 283 A L H X S+ 0 0 36 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.823 105.0 59.1 -65.3 -33.8 24.6 -15.5 15.7 224 284 A K H X S+ 0 0 72 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.855 109.4 45.4 -60.5 -37.0 24.7 -14.9 19.5 225 285 A R H X S+ 0 0 90 -4,-1.3 4,-1.6 -3,-0.5 5,-0.5 0.912 112.0 50.2 -72.6 -43.1 21.0 -15.9 19.6 226 286 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 3,-0.2 0.929 106.4 57.0 -56.9 -44.4 21.6 -18.9 17.3 227 287 A E H < S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.8 43.2 -62.4 -32.5 24.4 -20.1 19.5 228 288 A T H < S- 0 0 74 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.734 97.3-144.4 -81.9 -29.0 22.2 -20.2 22.7 229 289 A G < + 0 0 11 -4,-1.6 2,-0.3 1,-0.2 -3,-0.1 0.451 47.5 143.4 81.9 3.7 19.4 -21.8 20.7 230 290 A K + 0 0 166 -5,-0.5 2,-0.3 25,-0.0 -1,-0.2 -0.599 14.2 145.5 -85.3 128.6 16.7 -19.9 22.7 231 291 A Y - 0 0 62 -2,-0.3 2,-0.3 -3,-0.1 -17,-0.1 -0.905 26.0-149.4-149.0 173.8 13.6 -18.8 20.8 232 292 A A - 0 0 37 -2,-0.3 3,-0.2 -19,-0.2 -2,-0.0 -0.961 25.7-141.0-147.2 165.0 9.9 -18.3 21.5 233 293 A F + 0 0 25 -2,-0.3 5,-0.0 1,-0.1 13,-0.0 -0.388 68.1 118.9-114.4 42.2 6.4 -18.4 20.0 234 294 A D + 0 0 144 3,-0.1 -1,-0.1 4,-0.0 5,-0.1 0.692 38.9 106.4 -89.4 -17.3 5.4 -15.4 22.1 235 295 A L S > S- 0 0 63 -3,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.234 81.8-119.2 -59.6 148.1 4.5 -13.0 19.3 236 296 A P G > S+ 0 0 110 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.830 113.4 74.3 -54.3 -27.8 0.8 -12.3 18.6 237 297 A Q G 3 S+ 0 0 60 1,-0.3 3,-0.3 2,-0.1 -2,-0.1 0.782 96.9 46.2 -55.5 -27.1 1.7 -13.7 15.2 238 298 A W G X S+ 0 0 1 -3,-2.0 3,-1.3 1,-0.2 -1,-0.3 0.532 84.0 100.3 -89.3 -4.3 1.7 -17.2 16.9 239 299 A R T < S+ 0 0 195 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.1 0.755 94.7 24.4 -58.6 -36.2 -1.5 -16.7 18.8 240 300 A T T 3 S+ 0 0 125 -4,-0.3 -1,-0.3 -3,-0.3 2,-0.2 0.199 91.0 119.6-117.2 12.0 -3.7 -18.7 16.4 241 301 A I S < S- 0 0 18 -3,-1.3 -3,-0.0 1,-0.1 5,-0.0 -0.572 73.8 -97.8 -77.6 140.1 -1.1 -21.0 14.8 242 302 A S > - 0 0 38 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.197 17.5-126.3 -62.8 149.5 -1.9 -24.7 15.5 243 303 A D H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.827 111.4 60.2 -58.2 -34.3 -0.3 -26.6 18.3 244 304 A D H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.914 103.5 48.3 -63.0 -42.7 0.8 -29.2 15.7 245 305 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 112.8 48.6 -60.2 -45.7 2.8 -26.6 13.7 246 306 A K H X S+ 0 0 28 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.890 108.7 54.7 -63.9 -38.5 4.5 -25.4 16.8 247 307 A D H X S+ 0 0 54 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.914 108.8 47.1 -59.4 -46.3 5.2 -29.0 17.8 248 308 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.951 112.9 49.0 -61.2 -48.1 7.0 -29.7 14.4 249 309 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.902 108.6 53.2 -59.9 -42.5 9.0 -26.5 14.7 250 310 A R H < S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 110.6 48.4 -59.6 -41.5 10.0 -27.3 18.3 251 311 A K H >< S+ 0 0 77 -4,-2.1 10,-1.3 1,-0.2 3,-0.8 0.873 113.3 46.3 -66.0 -38.1 11.3 -30.7 17.1 252 312 A M H 3< S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.813 112.3 50.3 -73.1 -36.0 13.2 -29.2 14.2 253 313 A L T 3< S+ 0 0 5 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 -0.015 76.1 142.2 -96.8 29.3 14.8 -26.4 16.3 254 314 A T < - 0 0 37 -3,-0.8 6,-0.1 1,-0.1 -3,-0.1 -0.562 51.0-137.2 -66.3 129.7 16.0 -28.9 19.0 255 315 A F S S+ 0 0 61 -2,-0.3 -70,-0.2 4,-0.1 -1,-0.1 0.934 86.2 58.5 -64.7 -52.6 19.4 -27.6 20.1 256 316 A H S > S- 0 0 101 1,-0.1 3,-1.5 -72,-0.1 4,-0.5 -0.664 77.5-145.5 -81.1 124.3 21.4 -30.9 20.3 257 317 A P G > S+ 0 0 23 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.840 96.3 62.7 -65.5 -27.6 21.4 -32.5 16.8 258 318 A S G 3 S+ 0 0 104 1,-0.3 -3,-0.0 -3,-0.0 -2,-0.0 0.770 109.2 43.4 -63.1 -25.2 21.3 -36.0 18.2 259 319 A L G < S+ 0 0 123 -3,-1.5 -1,-0.3 2,-0.1 2,-0.2 0.403 95.1 102.0 -96.6 -3.4 17.9 -35.2 19.8 260 320 A R S < S- 0 0 5 -3,-1.2 -8,-0.2 -4,-0.5 -9,-0.1 -0.558 79.7-102.8 -85.8 143.9 16.6 -33.4 16.7 261 321 A I - 0 0 19 -10,-1.3 2,-0.1 -2,-0.2 -1,-0.1 -0.254 34.0-115.6 -64.8 155.2 14.1 -35.1 14.4 262 322 A T > - 0 0 53 1,-0.1 4,-1.7 -65,-0.1 -1,-0.1 -0.446 25.0-110.5 -81.9 163.5 15.2 -36.6 11.0 263 323 A A H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -136,-0.2 0.882 120.7 54.8 -61.9 -41.6 13.9 -35.2 7.7 264 324 A T H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.893 106.8 50.8 -57.0 -42.5 11.9 -38.5 7.2 265 325 A Q H > S+ 0 0 104 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.823 104.8 58.1 -66.0 -35.5 10.2 -37.9 10.6 266 326 A C H >< S+ 0 0 0 -4,-1.7 3,-1.0 1,-0.2 6,-0.3 0.925 105.5 49.9 -56.8 -46.1 9.4 -34.3 9.5 267 327 A L H 3< S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.808 111.8 48.5 -62.4 -31.5 7.5 -35.7 6.5 268 328 A E H 3< S+ 0 0 123 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.533 83.3 122.6 -85.2 -7.3 5.5 -38.1 8.8 269 329 A H S XX S- 0 0 12 -3,-1.0 4,-1.9 -4,-0.6 3,-0.7 -0.266 72.6-120.7 -64.2 141.7 4.6 -35.4 11.2 270 330 A P H 3> S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.804 111.0 59.5 -47.1 -37.6 0.8 -35.0 11.8 271 331 A W H 3> S+ 0 0 0 -27,-0.3 4,-0.7 1,-0.2 -26,-0.1 0.908 108.7 43.3 -62.6 -43.6 0.9 -31.3 10.7 272 332 A I H X> S+ 0 0 2 -3,-0.7 3,-0.7 -6,-0.3 4,-0.6 0.892 112.6 53.0 -67.3 -38.2 2.2 -32.3 7.2 273 333 A Q H >< S+ 0 0 94 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.861 99.4 63.2 -67.3 -35.0 -0.2 -35.2 7.0 274 334 A K H 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 112.7 35.8 -56.5 -32.9 -3.2 -32.9 7.7 275 335 A Y H << S+ 0 0 79 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.414 92.7 109.9-106.8 1.7 -2.4 -31.0 4.5 276 336 A S << - 0 0 33 -3,-0.9 2,-0.1 -4,-0.6 -159,-0.0 -0.458 65.5-120.4 -80.0 149.9 -1.3 -33.9 2.2 277 337 A S 0 0 119 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.394 360.0 360.0 -84.0 163.4 -3.4 -35.1 -0.7 278 338 A E 0 0 179 -2,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.709 360.0 360.0-165.9 360.0 -4.9 -38.6 -1.3