==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-APR-08 3CRA . COMPND 2 MOLECULE: PROTEIN MAZG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.LEE,M.H.KIM,B.S.KANG,J.S.KIM,Y.G.KIM,K.J.KIM . 461 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 354 76.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 15 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 283 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 0 0 0 0 1 1 1 0 0 4 2 0 1 0 1 0 2 2 0 1 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 N >> 0 0 139 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0 -34.8 -6.7 61.0 85.4 2 3 A Q H >> + 0 0 62 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.872 360.0 67.5 -55.4 -36.9 -7.9 58.3 82.9 3 4 A I H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.900 95.6 55.1 -47.5 -39.4 -7.1 55.9 85.8 4 5 A D H <> S+ 0 0 72 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.818 105.8 50.7 -67.5 -29.5 -10.0 57.5 87.6 5 6 A R H X S+ 0 0 102 -4,-2.5 4,-2.4 -5,-0.2 3,-1.0 0.970 113.3 48.4 -59.3 -55.2 -17.3 50.3 89.8 12 13 A R H 3< S+ 0 0 134 -4,-5.0 -2,-0.2 1,-0.3 -3,-0.2 0.826 105.9 59.1 -59.3 -31.5 -20.2 51.0 87.5 13 14 A L H 3< S+ 0 0 27 -4,-2.9 7,-0.5 -5,-0.3 11,-0.5 0.801 117.0 32.5 -65.8 -32.8 -19.7 47.5 85.9 14 15 A R H << S+ 0 0 29 -4,-1.1 -2,-0.2 -3,-1.0 -1,-0.2 0.613 83.8 135.1-100.1 -14.0 -20.3 45.9 89.2 15 16 A D X - 0 0 67 -4,-2.4 2,-0.6 3,-0.2 4,-0.6 -0.029 60.9-127.2 -30.1 115.8 -22.7 48.5 90.5 16 17 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.873 99.7 32.2-119.3 103.8 -25.4 46.2 92.0 17 18 A E T 4 S+ 0 0 152 -2,-0.6 3,-0.1 2,-0.0 -3,-0.1 0.877 125.3 43.7 -24.2 149.8 -28.0 47.4 90.5 18 19 A N T 4 S+ 0 0 117 -3,-0.4 -3,-0.2 1,-0.4 2,-0.2 0.483 85.3 117.7-133.7 130.4 -26.6 48.3 87.7 19 20 A G < - 0 0 29 -4,-0.6 -1,-0.4 -6,-0.5 -5,-0.1 0.334 36.3 -93.7 83.6 124.0 -24.6 46.3 86.5 20 21 A C - 0 0 34 -7,-0.5 2,-0.2 -2,-0.2 -5,-0.1 0.102 34.3 -44.2-141.8-115.6 -23.5 44.4 84.4 21 22 A P S S- 0 0 85 0, 0.0 -2,-0.1 0, 0.0 -7,-0.0 -0.248 94.9 -56.7 -7.3-127.6 -22.6 41.6 82.4 22 23 A W S >> S+ 0 0 110 -2,-0.2 3,-0.7 -3,-0.1 4,-0.6 -0.377 115.5 102.1 92.0 -64.1 -21.6 38.9 83.9 23 24 A D G >4 S+ 0 0 9 1,-0.3 3,-2.7 2,-0.2 -9,-0.1 0.964 79.9 58.4 -45.1 -54.7 -18.9 41.1 85.5 24 25 A K G 34 S+ 0 0 85 -11,-0.5 -1,-0.3 1,-0.3 -10,-0.1 0.793 105.0 49.3 -44.4 -40.0 -21.1 40.9 88.6 25 26 A E G <4 S+ 0 0 135 -3,-0.7 -1,-0.3 2,-0.0 2,-0.2 0.466 88.1 105.6 -85.8 -4.5 -20.9 37.1 88.6 26 27 A Q << - 0 0 15 -3,-2.7 2,-0.2 -4,-0.6 3,-0.0 -0.589 47.9-178.2 -75.8 144.1 -17.0 37.1 88.3 27 28 A T > - 0 0 64 -2,-0.2 4,-1.5 0, 0.0 5,-0.2 -0.617 47.5 -86.6-126.0-178.8 -15.1 36.2 91.5 28 29 A F H > S+ 0 0 20 -2,-0.2 4,-1.7 1,-0.2 253,-0.1 0.922 129.1 50.9 -61.2 -41.4 -11.3 36.1 92.3 29 30 A A H 4 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 0.870 108.2 49.5 -63.6 -41.3 -11.3 32.4 91.0 30 31 A T H 4 S+ 0 0 52 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.816 111.5 48.2 -74.2 -26.3 -13.0 33.2 87.7 31 32 A I H X S+ 0 0 6 -4,-1.5 4,-1.7 1,-0.2 3,-0.3 0.805 92.5 83.6 -79.8 -31.2 -10.6 36.1 86.8 32 33 A A H >X S+ 0 0 15 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.856 89.2 45.5 -39.3 -58.8 -7.5 34.0 87.6 33 34 A P H 3> S+ 0 0 66 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.905 109.6 56.4 -64.4 -35.0 -7.2 32.1 84.3 34 35 A Y H 3> S+ 0 0 95 -4,-0.5 4,-3.2 -3,-0.3 -2,-0.2 0.876 104.6 52.9 -56.6 -36.1 -7.7 35.4 82.3 35 36 A T H S+ 0 0 1 -4,-3.0 5,-1.6 1,-0.2 9,-0.2 0.823 113.9 48.8 -55.5 -31.6 3.6 41.5 72.4 46 47 A I H ><5S+ 0 0 21 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.960 108.6 49.5 -69.6 -57.4 7.1 42.1 74.0 47 48 A A H 3<5S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.823 116.4 44.0 -47.2 -40.6 8.9 39.2 72.1 48 49 A R T 3<5S- 0 0 116 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.424 107.4-136.7 -80.3 -5.9 7.4 40.6 68.8 49 50 A E T < 5 + 0 0 142 -3,-1.8 2,-0.6 -5,-0.2 -3,-0.2 0.727 51.1 143.6 44.4 37.8 8.3 44.1 70.0 50 51 A D >< - 0 0 35 -5,-1.6 4,-2.1 1,-0.1 -1,-0.2 -0.899 32.2-170.1-106.3 128.5 5.1 45.8 68.9 51 52 A F H > S+ 0 0 27 -2,-0.6 4,-2.2 2,-0.2 5,-0.2 0.657 82.2 63.9 -92.0 -18.9 3.8 48.6 71.2 52 53 A D H > S+ 0 0 102 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.949 113.0 39.9 -55.4 -56.9 0.3 49.1 69.6 53 54 A D H >> S+ 0 0 62 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.958 115.8 51.4 -51.1 -56.5 -0.3 45.5 70.8 54 55 A L H 3X S+ 0 0 6 -4,-2.1 4,-3.2 1,-0.3 5,-0.2 0.838 106.4 51.5 -57.7 -44.9 1.5 46.0 74.1 55 56 A R H 3X S+ 0 0 91 -4,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.824 113.6 47.3 -62.1 -35.6 -0.3 49.2 75.2 56 57 A G H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 3,-0.6 0.957 113.5 45.9 -71.1 -57.6 -3.7 43.5 82.6 62 63 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.953 105.7 58.3 -39.2 -59.9 -4.5 46.7 84.5 63 64 A F H 3X S+ 0 0 31 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.905 108.3 49.8 -46.3 -37.4 -8.2 46.1 83.9 64 65 A Q H <>S+ 0 0 0 -4,-2.3 5,-2.1 -5,-0.2 3,-0.9 0.844 110.9 52.3 -67.9 -34.2 -11.5 43.1 97.3 73 74 A Q H ><5S+ 0 0 89 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.827 100.4 61.0 -76.6 -33.6 -13.1 46.5 98.1 74 75 A E T 3<5S+ 0 0 90 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.572 109.2 43.4 -57.5 -21.6 -16.6 45.1 98.0 75 76 A E T < 5S- 0 0 109 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.331 116.6-116.6-106.5 3.4 -15.5 42.9 100.9 76 77 A G T < 5S+ 0 0 69 -3,-1.1 -3,-0.2 2,-0.2 3,-0.1 0.525 81.6 118.0 78.6 15.8 -13.8 45.7 102.7 77 78 A R S - 0 0 45 -2,-0.3 4,-1.8 -3,-0.1 3,-0.2 -0.752 41.2 -90.6-124.0 175.1 -8.9 49.2 97.4 80 81 A F H > S+ 0 0 9 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.903 124.4 54.1 -53.0 -49.9 -6.7 50.2 94.5 81 82 A N H > S+ 0 0 48 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.884 107.0 51.6 -54.0 -42.9 -5.1 53.1 96.4 82 83 A D H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 110.0 50.3 -63.3 -38.9 -4.1 50.7 99.3 83 84 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.973 115.4 41.9 -59.1 -52.5 -2.4 48.4 96.6 84 85 A C H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.907 113.4 55.1 -65.8 -36.3 -0.6 51.4 95.2 85 86 A A H X S+ 0 0 17 -4,-3.5 4,-1.9 -5,-0.2 -1,-0.2 0.919 108.9 46.3 -56.1 -51.4 0.1 52.6 98.8 86 87 A A H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 114.4 44.7 -65.3 -45.4 1.8 49.3 99.8 87 88 A I H X S+ 0 0 6 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.967 113.6 51.8 -61.9 -48.7 4.0 48.9 96.7 88 89 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.865 111.3 48.4 -51.0 -40.5 5.0 52.6 96.9 89 90 A D H X S+ 0 0 92 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.933 113.1 47.0 -65.9 -49.3 6.0 52.1 100.6 90 91 A K H < S+ 0 0 37 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.840 112.9 47.1 -61.5 -42.1 8.0 49.0 99.8 91 92 A L H >< S+ 0 0 3 -4,-2.9 3,-0.6 2,-0.2 -1,-0.2 0.831 114.5 48.9 -70.3 -33.3 9.8 50.5 96.9 92 93 A E H 3< S+ 0 0 85 -4,-1.6 -2,-0.2 -5,-0.3 -3,-0.2 0.986 107.0 52.5 -68.8 -62.1 10.6 53.7 99.0 93 94 A R T 3< 0 0 164 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.416 360.0 360.0 -48.4 -1.4 11.9 51.8 102.0 94 95 A R < 0 0 81 -3,-0.6 -3,-0.1 -5,-0.1 4,-0.1 -0.465 360.0 360.0-126.9 360.0 14.2 50.0 99.5 95 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 96 112 A L 0 0 45 0, 0.0 2,-0.2 0, 0.0 163,-0.1 0.000 360.0 360.0 360.0 110.3 16.7 50.2 93.1 97 113 A A - 0 0 15 160,-0.1 2,-0.1 161,-0.1 161,-0.1 -0.237 360.0-170.4 -99.1-112.1 15.8 47.5 93.0 98 114 A R > - 0 0 133 -2,-0.2 4,-1.2 159,-0.1 5,-0.1 0.202 19.3-155.5 -88.4 174.2 16.4 44.6 92.9 99 115 A W H > S+ 0 0 5 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.689 98.2 58.0 -83.1 -23.9 13.2 42.6 92.2 100 116 A E H > S+ 0 0 67 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.869 102.6 54.8 -66.9 -40.8 14.8 39.6 93.9 101 117 A Q H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.950 107.2 47.6 -60.4 -53.7 15.3 41.6 97.0 102 118 A I H X S+ 0 0 4 -4,-1.2 4,-0.9 1,-0.2 -1,-0.2 0.871 116.2 46.6 -51.1 -47.2 11.6 42.6 97.3 103 119 A K H X S+ 0 0 5 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.852 109.9 50.7 -65.2 -42.4 10.6 38.9 96.7 104 120 A T H X S+ 0 0 59 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.816 111.4 46.5 -76.4 -30.6 13.1 37.3 99.2 105 121 A E H < S+ 0 0 44 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.721 106.5 60.2 -81.4 -21.4 12.2 39.5 102.1 106 122 A E H >< S+ 0 0 42 -4,-0.9 3,-1.1 -5,-0.3 -2,-0.2 0.961 109.6 43.2 -57.8 -53.2 8.5 38.8 101.3 107 123 A R H 3< S+ 0 0 64 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.880 94.8 79.1 -57.4 -42.6 9.4 35.1 101.9 108 124 A A T 3< S+ 0 0 75 -4,-1.8 2,-0.4 2,-0.1 -1,-0.2 0.477 75.0 105.6 -53.1 -1.1 11.4 35.9 105.0 109 125 A Q S < S- 0 0 136 -3,-1.1 -1,-0.1 1,-0.1 3,-0.1 -0.987 92.6 -47.8-125.8 115.3 8.0 36.2 106.8 110 126 A K S S+ 0 0 183 -2,-0.4 2,-0.3 0, 0.0 -2,-0.1 -0.883 75.0 131.9-149.5 27.7 7.6 33.8 108.5 111 127 A A - 0 0 50 -4,-0.5 2,-0.2 1,-0.1 0, 0.0 -0.616 22.6-170.0 -56.1 132.9 8.0 30.1 107.8 112 128 A Q + 0 0 160 -2,-0.3 2,-0.1 -3,-0.1 5,-0.1 0.288 59.3 37.5 66.8 128.7 9.5 28.2 109.7 113 129 A H S S+ 0 0 136 -2,-0.2 2,-0.0 2,-0.1 -2,-0.0 -0.318 93.4 41.6 60.0-119.6 10.2 24.7 108.4 114 130 A S > - 0 0 12 -2,-0.1 3,-0.9 1,-0.1 -3,-0.1 -0.206 47.8-147.8 -87.8 151.3 11.1 24.2 104.8 115 131 A A T 3 S+ 0 0 19 1,-0.2 -1,-0.1 317,-0.1 23,-0.1 0.464 109.8 51.7 -50.2 -16.5 13.3 25.8 102.2 116 132 A L T 3 S+ 0 0 2 313,-0.1 3,-0.3 3,-0.1 -1,-0.2 -0.008 81.3 112.9 150.7 -46.4 10.8 24.6 100.0 117 133 A D < + 0 0 44 -3,-0.9 -6,-0.0 1,-0.2 -4,-0.0 -0.394 69.4 34.4 -68.9 152.9 7.5 25.8 101.5 118 134 A D S S+ 0 0 98 1,-0.2 -1,-0.2 -2,-0.1 -11,-0.0 0.921 72.3 146.2 69.9 47.5 5.4 28.4 99.7 119 135 A I - 0 0 13 -3,-0.3 -1,-0.2 160,-0.0 -3,-0.1 -0.971 59.1-107.8-111.6 116.5 6.1 27.3 96.2 120 136 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 156,-0.1 -0.150 18.0-147.7 -45.1 125.2 3.0 27.9 94.0 121 137 A R T 3 S+ 0 0 153 1,-0.2 7,-0.1 154,-0.1 154,-0.0 0.701 94.8 67.4 -60.6 -21.1 1.5 24.6 93.2 122 138 A S T 3 S+ 0 0 55 153,-0.2 -1,-0.2 154,-0.0 154,-0.0 0.549 73.0 124.6 -73.4 -10.2 0.4 26.2 89.8 123 139 A L < - 0 0 4 -3,-1.0 5,-0.0 1,-0.1 149,-0.0 -0.264 68.6-111.1 -65.6 132.7 4.0 26.5 88.4 124 140 A P > - 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.260 40.5-105.0 -49.5 150.9 4.9 25.0 85.0 125 141 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.822 118.6 48.6 -55.4 -40.8 7.4 22.1 85.6 126 142 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 112.9 48.4 -67.5 -42.7 10.5 23.8 84.5 127 143 A M H > S+ 0 0 32 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.924 113.2 48.6 -59.0 -46.4 9.7 26.9 86.6 128 144 A R H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.913 110.8 49.1 -65.1 -42.9 9.0 24.7 89.6 129 145 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.912 113.2 46.9 -63.1 -39.5 12.3 22.7 89.2 130 146 A Q H X S+ 0 0 29 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.897 112.6 50.0 -71.1 -39.7 14.4 25.8 88.9 131 147 A K H X S+ 0 0 34 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.951 111.3 48.4 -63.7 -49.6 12.7 27.4 91.9 132 148 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.926 112.7 49.6 -51.4 -49.5 13.2 24.2 94.0 133 149 A Q H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.884 112.3 45.6 -59.0 -42.2 16.9 24.1 93.0 134 150 A K H X S+ 0 0 88 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.919 108.9 55.5 -74.4 -42.3 17.6 27.8 93.8 135 151 A R H < S+ 0 0 17 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.933 113.1 43.4 -47.9 -43.6 15.7 27.5 97.2 136 152 A C H ><>S+ 0 0 2 -4,-1.9 5,-2.7 -5,-0.2 3,-0.9 0.839 111.6 53.1 -72.9 -38.9 18.1 24.6 98.0 137 153 A A H ><5S+ 0 0 21 -4,-2.3 3,-3.3 1,-0.2 -2,-0.2 0.932 99.5 63.8 -56.1 -49.5 21.1 26.5 96.6 138 154 A N T 3<5S+ 0 0 83 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.662 106.5 44.0 -52.1 -18.4 20.2 29.5 98.9 139 155 A V T < 5S- 0 0 31 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.263 129.6 -95.6-109.1 9.3 20.9 27.2 101.9 140 156 A G T < 5S+ 0 0 39 -3,-3.3 2,-0.8 1,-0.2 -3,-0.2 0.429 84.3 128.3 94.2 -0.1 24.1 25.8 100.4 141 157 A F < + 0 0 31 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.813 44.7 97.4 -93.9 104.1 22.9 22.6 98.7 142 158 A D S S- 0 0 43 -2,-0.8 2,-0.2 -5,-0.1 -8,-0.0 -0.951 79.8 -83.3-173.8 157.6 24.2 22.9 95.1 143 159 A W - 0 0 91 -2,-0.3 3,-0.0 1,-0.1 -2,-0.0 -0.546 30.9-153.0 -72.4 144.5 27.0 21.8 92.9 144 160 A T S S+ 0 0 124 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.790 75.0 42.9 -93.7 -35.6 30.1 24.1 93.2 145 161 A T S > S- 0 0 81 1,-0.1 4,-0.5 0, 0.0 -1,-0.1 -0.772 75.9-127.9-110.0 161.8 31.5 23.5 89.7 146 162 A L H > S+ 0 0 64 -2,-0.3 4,-1.3 1,-0.2 3,-0.3 0.828 94.9 66.7 -76.8 -33.0 30.0 23.3 86.2 147 163 A G H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.786 97.2 49.7 -62.7 -42.3 31.4 20.0 85.0 148 164 A P H > S+ 0 0 53 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.768 108.0 58.6 -68.1 -24.2 29.7 17.5 87.4 149 165 A V H X S+ 0 0 0 -4,-0.5 4,-1.2 -3,-0.3 -2,-0.2 0.895 109.2 42.1 -66.4 -47.2 26.4 19.3 86.4 150 166 A V H X S+ 0 0 18 -4,-1.3 4,-1.8 1,-0.2 3,-0.3 0.884 113.4 54.4 -66.6 -39.1 27.0 18.4 82.8 151 167 A D H X S+ 0 0 94 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.847 101.7 55.9 -66.9 -34.7 28.1 15.0 83.8 152 168 A K H X S+ 0 0 46 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.854 104.3 55.6 -63.3 -32.5 24.8 14.4 85.7 153 169 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.3 -2,-0.2 0.941 109.2 46.7 -60.9 -46.9 23.0 15.2 82.4 154 170 A Y H X S+ 0 0 62 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.869 110.7 52.4 -63.5 -38.8 25.0 12.4 80.7 155 171 A E H X S+ 0 0 87 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.917 110.2 47.6 -66.0 -37.3 24.3 10.0 83.6 156 172 A E H X S+ 0 0 10 -4,-2.0 4,-2.9 1,-0.2 25,-0.2 0.870 108.3 54.7 -77.6 -32.5 20.6 10.6 83.4 157 173 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.926 109.6 48.0 -60.7 -43.2 20.6 10.2 79.6 158 174 A D H X S+ 0 0 98 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.910 111.3 50.9 -62.4 -44.2 22.3 6.7 80.1 159 175 A E H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.962 111.2 46.7 -53.8 -59.6 19.7 5.9 82.8 160 176 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 17,-0.2 -2,-0.2 0.923 115.9 46.8 -45.6 -48.9 16.8 6.8 80.5 161 177 A M H X S+ 0 0 5 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.875 107.6 55.4 -74.6 -35.7 18.4 4.8 77.6 162 178 A Y H >X S+ 0 0 134 -4,-2.7 3,-0.7 -5,-0.2 4,-0.5 0.969 110.5 45.5 -52.7 -55.4 19.1 1.8 79.8 163 179 A E H >< S+ 0 0 24 -4,-2.2 3,-1.0 1,-0.2 7,-0.3 0.875 112.1 53.1 -54.2 -39.2 15.3 1.6 80.8 164 180 A A H 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.689 106.4 53.0 -73.4 -27.7 14.3 2.0 77.1 165 181 A R H << S+ 0 0 173 -4,-1.4 -1,-0.3 -3,-0.7 -2,-0.2 0.524 82.5 119.6 -79.7 -12.2 16.6 -0.8 76.0 166 182 A Q S << S- 0 0 73 -3,-1.0 3,-0.2 -4,-0.5 -3,-0.0 -0.235 71.6-124.8 -66.6 147.2 15.1 -3.3 78.5 167 183 A A S S+ 0 0 110 1,-0.3 2,-0.6 2,-0.0 -1,-0.1 0.938 110.9 28.3 -51.7 -48.9 13.4 -6.5 77.1 168 184 A V S S- 0 0 130 2,-0.0 2,-0.5 -5,-0.0 -1,-0.3 -0.961 95.3-138.9-113.0 116.0 10.4 -5.6 79.1 169 185 A V - 0 0 57 -2,-0.6 2,-0.9 -3,-0.2 -5,-0.1 -0.621 3.1-143.6 -78.1 122.4 10.3 -1.8 79.5 170 186 A D > - 0 0 84 -2,-0.5 4,-2.4 -7,-0.3 5,-0.1 -0.812 15.6-166.2 -81.0 106.0 9.2 -0.7 82.9 171 187 A Q H > S+ 0 0 95 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.814 83.8 50.4 -69.6 -38.9 7.1 2.4 81.9 172 188 A A H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 113.3 45.8 -64.8 -43.9 6.9 3.9 85.3 173 189 A K H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.887 112.0 52.1 -70.3 -37.2 10.7 3.6 85.8 174 190 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.911 110.4 48.3 -64.3 -47.1 11.3 5.0 82.3 175 191 A E H X S+ 0 0 36 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.897 110.7 52.3 -55.1 -45.3 9.1 8.0 83.2 176 192 A E H X S+ 0 0 62 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.946 111.9 44.4 -57.7 -50.8 11.0 8.4 86.5 177 193 A E H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 -17,-0.2 0.934 111.8 53.1 -58.4 -44.3 14.4 8.5 84.7 178 194 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.897 109.0 50.5 -54.4 -43.7 13.0 10.8 82.0 179 195 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.890 110.4 47.8 -61.7 -43.5 11.9 13.1 84.8 180 196 A D H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.861 109.5 54.3 -68.5 -35.9 15.3 13.1 86.5 181 197 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 -25,-0.2 -2,-0.2 0.967 110.2 46.9 -60.8 -50.3 17.0 13.8 83.1 182 198 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.903 111.0 51.1 -58.3 -40.6 14.7 16.8 82.7 183 199 A F H X S+ 0 0 18 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.913 110.1 50.4 -58.4 -47.5 15.5 18.0 86.2 184 200 A A H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.862 107.4 53.1 -55.6 -44.2 19.2 17.6 85.5 185 201 A T H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.819 107.5 51.3 -68.8 -31.2 18.9 19.7 82.4 186 202 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.878 106.4 54.8 -64.7 -43.3 17.2 22.5 84.4 187 203 A N H X S+ 0 0 15 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.861 110.9 46.4 -54.0 -41.6 20.1 22.3 86.9 188 204 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.939 110.7 51.0 -68.0 -52.1 22.5 22.9 83.9 189 205 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -2,-0.2 0.934 113.9 46.1 -49.6 -46.5 20.3 25.7 82.5 190 206 A R H ><5S+ 0 0 35 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.908 110.2 50.7 -63.1 -46.2 20.4 27.3 85.9 191 207 A H H 3<5S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.5 57.6 -63.7 -29.0 24.1 26.8 86.3 192 208 A L T 3<5S- 0 0 16 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.362 120.7-106.3 -79.0 5.5 24.5 28.5 82.9 193 209 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.764 81.3 119.9 81.7 19.3 22.6 31.8 83.9 194 210 A T < - 0 0 9 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.3 -0.802 65.6-124.3-119.4 165.2 19.4 30.9 82.0 195 211 A K > - 0 0 72 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.947 20.1-152.9-107.7 114.4 15.8 30.4 82.9 196 212 A A H > S+ 0 0 0 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.854 90.8 49.0 -56.2 -42.7 14.8 27.0 81.6 197 213 A E H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.952 115.4 44.1 -69.3 -47.5 11.0 27.7 81.1 198 214 A I H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 111.1 55.5 -56.8 -42.4 11.8 30.9 79.2 199 215 A A H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.941 111.1 43.4 -60.0 -47.0 14.5 29.2 77.2 200 216 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.914 107.8 59.2 -69.7 -36.9 12.2 26.6 76.0 201 217 A Q H X S+ 0 0 37 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.944 108.9 45.9 -53.3 -43.6 9.4 29.1 75.3 202 218 A K H X S+ 0 0 115 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.884 111.3 50.9 -66.4 -37.7 11.8 30.8 72.8 203 219 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 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-2,-0.2 0.963 108.9 48.9 -62.5 -53.1 7.2 28.9 56.9 214 230 A V H X S+ 0 0 3 -4,-2.5 4,-3.6 1,-0.2 5,-0.3 0.904 112.4 51.0 -50.4 -42.3 7.8 25.4 55.5 215 231 A E H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.932 110.3 48.2 -58.9 -50.2 3.9 25.1 55.6 216 232 A R H X S+ 0 0 119 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.896 115.4 46.3 -55.3 -45.4 3.6 28.4 53.7 217 233 A I H X S+ 0 0 15 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.975 114.1 44.0 -66.6 -57.4 6.2 27.2 51.2 218 234 A V H < S+ 0 0 55 -4,-3.6 4,-0.3 1,-0.2 3,-0.2 0.874 117.2 50.1 -54.3 -36.2 4.8 23.7 50.6 219 235 A A H < S+ 0 0 41 -4,-2.3 3,-0.4 -5,-0.3 4,-0.2 0.900 107.2 50.9 -72.5 -42.3 1.3 25.3 50.4 220 236 A A H < S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.742 102.7 67.1 -63.5 -17.9 2.2 28.0 47.9 221 237 A R S < S- 0 0 160 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.761 103.9-168.3 -42.5 -59.6 3.7 25.2 45.7 222 238 A G + 0 0 24 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.2 -0.202 31.4 34.6-138.0-101.9 0.9 24.4 45.5 223 239 A L + 0 0 178 -4,-0.2 -2,-0.1 1,-0.1 -3,-0.0 0.022 59.2 156.2 38.5 -82.6 -2.0 22.2 44.6 224 240 A E + 0 0 120 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.725 28.4 147.4 6.0 90.7 -0.5 18.8 45.3 225 241 A M 0 0 204 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.309 360.0 360.0 -73.9 -18.5 -2.8 16.0 46.1 226 242 A T 0 0 140 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.223 360.0 360.0 -82.0 360.0 0.3 14.8 44.3 227 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 228 247 A E 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.6 10.6 14.5 51.3 229 248 A T >> + 0 0 70 0, 0.0 4,-1.3 0, 0.0 3,-0.6 -0.500 360.0 62.0 61.7 -91.6 9.6 17.4 50.2 230 249 A M H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.706 91.7 49.4 -71.8 -42.0 9.9 18.4 53.9 231 250 A E H 3> S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.778 112.6 51.7 -70.4 -27.4 13.4 18.1 55.5 232 251 A E H <> S+ 0 0 103 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.875 110.1 46.4 -76.6 -41.5 14.9 20.0 52.5 233 252 A V H X S+ 0 0 5 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.934 110.7 54.1 -64.9 -43.9 12.5 23.0 52.8 234 253 A W H X 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115.5 44.5 -47.7 -51.9 4.2 43.6 92.6 296 62 B L H >X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 3,-0.9 0.957 112.4 51.7 -56.2 -53.9 2.1 43.0 89.4 297 63 B L H 3X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.3 -1,-0.2 0.832 103.1 60.4 -51.3 -40.9 0.9 46.7 89.3 298 64 B F H 3X S+ 0 0 15 -4,-2.4 4,-1.7 1,-0.2 -1,-0.3 0.860 103.0 49.7 -60.2 -38.0 4.5 47.9 89.6 299 65 B Q H <>S+ 0 0 13 -4,-2.5 5,-2.6 1,-0.2 3,-0.6 0.858 110.5 51.9 -42.2 -49.1 7.2 53.0 76.6 308 74 B Q H ><5S+ 0 0 49 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.931 105.9 53.6 -59.5 -51.4 6.9 56.7 77.8 309 75 B E H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.714 109.4 50.5 -53.4 -23.7 10.8 57.2 77.4 310 76 B E T <<5S- 0 0 121 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.329 120.3-108.3 -99.0 3.7 10.4 55.8 73.8 311 77 B G T < 5S+ 0 0 56 -3,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.808 74.4 137.4 75.0 31.9 7.6 58.2 72.9 312 78 B R S - 0 0 156 -5,-0.2 4,-0.6 -6,-0.2 -5,-0.1 0.182 59.0-154.7 73.1 -10.4 2.0 57.4 74.6 314 80 B D H > - 0 0 57 -2,-0.3 4,-2.6 -10,-0.2 3,-0.2 0.440 31.8 -15.0 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0, 0.0 5,-0.2 -0.267 45.4-115.7 -48.0 145.3 3.6 25.0 80.3 346 141 B A H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 113.7 49.2 -60.1 -42.4 6.7 25.1 77.9 347 142 B L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 113.1 46.3 -64.4 -47.0 7.4 21.4 78.1 348 143 B M H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 113.9 50.0 -60.3 -41.8 3.7 20.5 77.4 349 144 B R H X S+ 0 0 16 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.934 108.4 50.7 -66.8 -40.2 3.7 23.0 74.6 350 145 B A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.949 111.9 49.0 -59.3 -45.6 6.9 21.6 73.0 351 146 B Q H X S+ 0 0 21 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.901 110.4 50.7 -65.8 -36.4 5.4 18.1 73.1 352 147 B K H X S+ 0 0 82 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.916 110.2 49.7 -62.6 -48.0 2.1 19.3 71.5 353 148 B I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.900 109.3 51.7 -51.9 -47.3 3.9 21.1 68.7 354 149 B Q H X S+ 0 0 5 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.845 108.3 51.6 -66.7 -41.4 6.0 18.0 67.9 355 150 B K H X S+ 0 0 97 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 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