==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-JUN-13 4BTF . COMPND 2 MOLECULE: MIXED LINEAGE KINASE DOMAIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR P.E.CZABOTAR,J.M.MURPHY . 413 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 20 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 179 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 2 0 2 2 0 0 1 0 0 1 2 0 0 1 0 0 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 2 1 1 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 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 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 D > 0 0 158 0, 0.0 4,-1.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 126.9 13.3 -17.0 -16.0 2 3 A K H > + 0 0 123 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.686 360.0 63.1 -63.9 -20.7 12.8 -13.8 -14.0 3 4 A L H >> S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 3,-0.7 1.000 106.4 39.5 -63.5 -70.3 9.1 -14.5 -13.1 4 5 A G H 3> S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.662 111.1 64.5 -54.5 -17.9 9.5 -17.7 -11.1 5 6 A Q H 3X S+ 0 0 118 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.955 105.3 40.1 -68.9 -52.9 12.6 -16.0 -9.6 6 7 A I H X S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-1.8 0.990 111.6 41.5 -57.8 -64.0 8.1 -13.8 -2.6 11 12 A Q H 3X S+ 0 0 88 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.668 109.3 61.8 -63.9 -16.0 7.5 -17.1 -0.8 12 13 A L H 3< S+ 0 0 93 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.3 0.760 106.5 46.6 -74.5 -26.5 10.9 -16.7 0.8 13 14 A I H < S+ 0 0 5 -4,-2.1 3,-1.0 -3,-0.3 -2,-0.2 0.845 109.0 54.0 -70.6 -33.6 7.2 -13.2 8.3 18 19 A E T 3< S+ 0 0 79 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.688 112.2 44.6 -74.5 -18.2 5.4 -16.2 9.8 19 20 A K T 3 S+ 0 0 172 -4,-0.5 2,-0.6 -3,-0.4 -1,-0.2 -0.064 84.7 114.5-117.6 31.6 8.4 -17.3 11.8 20 21 A M < - 0 0 43 -3,-1.0 7,-0.1 1,-0.1 -4,-0.0 -0.920 54.7-150.5-111.7 118.8 9.5 -13.9 13.2 21 22 A K S S+ 0 0 159 -2,-0.6 3,-0.4 2,-0.1 2,-0.3 0.808 72.1 52.2 -52.9 -46.1 9.2 -13.4 16.9 22 23 A Y S S+ 0 0 160 1,-0.2 5,-0.1 2,-0.1 95,-0.1 -0.692 106.4 17.6-110.5 152.5 8.6 -9.7 17.2 23 24 A C S > S+ 0 0 48 -2,-0.3 4,-2.0 94,-0.2 5,-0.3 0.921 71.5 172.0 54.7 49.2 6.1 -7.3 15.5 24 25 A R H > + 0 0 134 -3,-0.4 4,-2.0 1,-0.2 5,-0.1 0.788 67.4 51.0 -60.1 -31.4 4.0 -10.3 14.7 25 26 A K H > S+ 0 0 63 88,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.946 111.4 43.7 -75.6 -46.8 1.0 -8.3 13.4 26 27 A Q H > S+ 0 0 20 87,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.835 117.9 46.7 -67.0 -34.0 2.8 -6.0 11.0 27 28 A C H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.916 110.2 52.4 -70.7 -46.8 4.9 -8.9 9.7 28 29 A Q H X S+ 0 0 83 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.899 111.0 49.3 -53.7 -41.9 1.8 -11.1 9.4 29 30 A R H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.965 112.9 44.3 -64.3 -53.6 0.2 -8.3 7.4 30 31 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.856 113.4 55.9 -55.9 -36.2 3.2 -7.9 5.1 31 32 A G H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.959 110.2 40.6 -62.3 -53.3 3.2 -11.7 4.9 32 33 A N H X S+ 0 0 64 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.819 112.2 55.0 -70.9 -32.0 -0.3 -12.1 3.7 33 34 A R H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.866 109.2 47.8 -67.1 -38.0 -0.2 -9.1 1.3 34 35 A V H X S+ 0 0 2 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.841 111.3 52.7 -68.9 -33.4 2.8 -10.6 -0.5 35 36 A H H X S+ 0 0 87 -4,-1.5 4,-0.7 -5,-0.2 -2,-0.2 0.934 106.7 53.1 -64.3 -45.7 0.9 -13.8 -0.5 36 37 A G H >< S+ 0 0 26 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.926 112.5 41.5 -56.9 -52.3 -2.0 -12.1 -2.2 37 38 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.825 108.5 63.8 -61.9 -32.4 -0.0 -10.6 -5.0 38 39 A L H 3X S+ 0 0 9 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.644 92.8 65.8 -70.3 -13.8 1.9 -13.8 -5.3 39 40 A Q H S+ 0 0 19 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.821 110.1 61.7 -64.6 -25.9 -2.3 -14.3 -9.7 41 42 A L H X S+ 0 0 0 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.829 97.0 57.4 -66.7 -30.4 1.4 -14.5 -10.5 42 43 A Q H X S+ 0 0 74 -4,-0.7 4,-2.2 -3,-0.4 -1,-0.2 0.884 108.5 47.2 -60.0 -39.2 1.1 -18.3 -10.0 43 44 A R H X S+ 0 0 141 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.882 108.6 52.7 -71.5 -41.5 -1.6 -18.1 -12.7 44 45 A L H < S+ 0 0 34 -4,-2.2 5,-0.3 1,-0.2 -2,-0.2 0.900 115.4 42.4 -58.0 -42.4 0.6 -16.0 -15.0 45 46 A Q H >< S+ 0 0 90 -4,-2.0 3,-0.6 3,-0.2 -2,-0.2 0.858 116.4 44.8 -76.1 -41.4 3.4 -18.5 -14.7 46 47 A A H 3< S+ 0 0 88 -4,-2.2 2,-2.7 1,-0.3 -3,-0.2 0.984 118.2 43.2 -66.8 -59.0 1.4 -21.7 -15.0 47 48 A Q T 3< S+ 0 0 180 -4,-2.2 -1,-0.3 -5,-0.2 2,-0.3 -0.373 107.7 164.5 -73.8 59.1 -0.6 -20.3 -17.9 48 49 A G < + 0 0 46 -2,-2.7 2,-0.2 -3,-0.6 -3,-0.2 -0.600 24.0 179.5-105.0 145.7 2.9 -19.2 -18.9 49 50 A K - 0 0 155 -5,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.733 36.1-102.2-135.0 178.3 4.4 -18.0 -22.1 50 51 A K S S+ 0 0 189 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.993 98.3 28.7 -69.4 -68.1 7.6 -16.8 -23.7 51 52 A N - 0 0 127 6,-0.0 -1,-0.2 0, 0.0 3,-0.1 -0.865 67.3-156.8-106.3 126.0 7.3 -13.0 -23.9 52 53 A L - 0 0 37 -2,-0.5 5,-0.0 1,-0.1 -2,-0.0 -0.729 35.1 -93.8 -93.8 147.3 5.3 -10.9 -21.5 53 54 A P > - 0 0 83 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.124 38.6-109.5 -52.1 153.9 4.0 -7.4 -22.5 54 55 A D H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.759 115.0 54.8 -65.1 -24.7 6.3 -4.5 -21.6 55 56 A D H > S+ 0 0 113 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 110.3 43.0 -77.1 -41.2 3.9 -3.2 -18.9 56 57 A I H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.881 113.4 55.1 -68.9 -37.3 3.7 -6.5 -16.9 57 58 A T H X S+ 0 0 74 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.913 113.3 41.2 -55.1 -44.7 7.4 -6.9 -17.4 58 59 A A H X S+ 0 0 44 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.756 114.3 49.8 -83.8 -26.7 7.9 -3.4 -15.8 59 60 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.917 110.6 50.1 -74.3 -45.4 5.4 -3.8 -13.1 60 61 A L H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.842 107.2 59.1 -57.3 -33.0 6.9 -7.2 -12.1 61 62 A G H X S+ 0 0 26 -4,-1.1 4,-1.6 -5,-0.2 -1,-0.2 0.927 107.8 41.5 -61.7 -48.1 10.2 -5.3 -12.1 62 63 A R H X S+ 0 0 87 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.776 110.7 57.3 -72.5 -29.6 9.1 -2.8 -9.5 63 64 A F H >X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 3,-0.7 0.927 105.8 52.6 -64.0 -43.3 7.4 -5.6 -7.4 64 65 A D H 3X S+ 0 0 21 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.912 106.5 50.6 -56.7 -47.6 10.8 -7.3 -7.4 65 66 A E H 3X S+ 0 0 103 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.667 108.9 53.9 -68.7 -17.2 12.6 -4.2 -6.0 66 67 A V H 0 0 144 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -30.5 5.2 2.2 10.7 80 96 A L T 3 + 0 0 63 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.960 360.0 19.7 -55.0 -54.1 7.6 -0.8 10.6 81 97 A F T 3> S+ 0 0 4 1,-0.2 4,-3.4 2,-0.1 5,-0.3 -0.185 86.8 134.6-108.5 38.3 7.2 -1.2 6.9 82 98 A H H <> S+ 0 0 112 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.926 77.0 36.6 -54.6 -54.3 5.8 2.2 6.2 83 99 A E H > S+ 0 0 118 -4,-0.3 4,-1.5 -3,-0.2 -1,-0.2 0.915 120.0 49.4 -67.3 -43.3 7.9 3.0 3.1 84 100 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.955 109.3 50.5 -58.4 -54.7 7.7 -0.6 1.9 85 101 A N H X S+ 0 0 8 -4,-3.4 4,-1.2 1,-0.2 -1,-0.2 0.795 106.5 55.2 -57.5 -32.8 4.0 -1.0 2.2 86 102 A E H X S+ 0 0 46 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.2 0.896 113.2 40.5 -73.0 -36.5 3.3 2.2 0.3 87 103 A K H X S+ 0 0 59 -4,-1.5 4,-2.0 -3,-0.4 5,-0.2 0.843 111.3 57.3 -75.8 -33.7 5.3 1.0 -2.7 88 104 A L H X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.808 104.0 56.4 -62.5 -26.7 3.8 -2.4 -2.3 89 105 A R H X S+ 0 0 84 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.852 104.3 50.2 -74.1 -37.2 0.5 -0.6 -2.6 90 106 A D H X S+ 0 0 69 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.968 112.4 45.5 -64.6 -53.0 1.3 0.9 -6.0 91 107 A V H X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.794 111.3 56.4 -61.1 -28.0 2.5 -2.4 -7.5 92 108 A W H X S+ 0 0 39 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.969 109.6 42.2 -66.2 -55.6 -0.7 -4.0 -6.0 93 109 A E H X S+ 0 0 103 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.819 117.9 49.9 -61.1 -31.3 -3.0 -1.7 -7.7 94 110 A E H X S+ 0 0 66 -4,-2.1 4,-2.2 2,-0.2 3,-0.5 0.951 111.8 43.6 -74.8 -51.4 -0.9 -2.0 -10.9 95 111 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.779 109.6 57.7 -66.5 -28.5 -0.7 -5.8 -11.1 96 112 A L H <>S+ 0 0 51 -4,-2.1 5,-2.7 -5,-0.2 4,-0.3 0.806 111.8 42.8 -72.4 -26.3 -4.4 -6.2 -10.3 97 113 A L H <5S+ 0 0 113 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.846 114.2 49.0 -82.2 -38.7 -5.2 -4.0 -13.3 98 114 A L H <5S+ 0 0 78 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.854 122.0 33.9 -72.6 -33.3 -2.8 -5.6 -15.6 99 115 A L T <5S- 0 0 49 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.546 111.5-122.1 -96.5 -8.7 -3.9 -9.1 -14.8 100 116 A Q T 5 0 0 148 -4,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 1.000 360.0 360.0 61.7 77.5 -7.5 -8.1 -14.3 101 117 A V < 0 0 139 -5,-2.7 -1,-0.1 0, 0.0 -2,-0.1 -0.244 360.0 360.0 45.2 360.0 -8.3 -9.1 -10.7 102 ! 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 0.0 103 129 A P 0 0 96 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.8 -7.9 -3.8 0.0 104 130 A A + 0 0 96 1,-0.2 2,-0.9 2,-0.0 3,-0.2 0.646 360.0 58.9-121.7 -32.2 -7.6 -0.1 -0.5 105 131 A S > + 0 0 74 1,-0.2 4,-0.8 2,-0.1 3,-0.3 -0.737 57.8 146.8-101.9 88.8 -7.2 1.4 3.0 106 132 A W H > + 0 0 8 -2,-0.9 4,-3.3 2,-0.2 -1,-0.2 0.858 60.3 68.5 -86.8 -39.1 -4.0 -0.3 4.1 107 133 A Q H > S+ 0 0 103 1,-0.3 4,-0.9 -3,-0.2 -1,-0.2 0.443 103.6 48.6 -67.9 3.0 -2.5 2.5 6.2 108 134 A Q H > S+ 0 0 88 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.705 108.5 49.4-103.2 -40.2 -5.4 1.9 8.6 109 135 A E H X S+ 0 0 49 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.858 113.6 54.2 -55.8 -36.7 -4.9 -1.8 8.7 110 136 A D H >X S+ 0 0 13 -4,-3.3 4,-2.5 2,-0.2 3,-0.8 0.998 105.5 46.2 -57.3 -71.0 -1.4 -0.6 9.4 111 137 A R H 3X S+ 0 0 141 -4,-0.9 4,-0.9 1,-0.3 -1,-0.2 0.720 111.2 55.5 -52.8 -25.9 -2.1 1.6 12.3 112 138 A Q H 3X S+ 0 0 124 -4,-1.6 4,-1.6 2,-0.2 3,-0.4 0.947 111.6 42.0 -69.0 -50.0 -4.2 -1.1 13.8 113 139 A D H X S+ 0 0 9 -4,-1.8 4,-0.8 2,-0.2 3,-0.6 0.980 110.3 45.3 -64.9 -58.1 9.1 -5.5 28.4 126 152 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.9 1,-0.3 3,-0.6 0.819 109.7 57.4 -57.5 -35.4 7.2 -5.1 31.7 127 153 A M H ><5S+ 0 0 86 -4,-2.5 3,-2.0 1,-0.2 -1,-0.3 0.881 99.6 57.0 -63.6 -39.3 7.2 -8.8 32.1 128 154 A Q H <<5S+ 0 0 78 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.709 102.2 58.0 -65.1 -18.5 11.0 -9.0 31.9 129 155 A L T <<5S- 0 0 7 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.082 120.4-112.4 -97.6 19.9 10.9 -6.5 34.9 130 156 A Q T < 5 + 0 0 176 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.714 61.3 158.7 59.1 25.6 8.9 -9.1 36.9 131 157 A I < - 0 0 19 -5,-1.9 -1,-0.2 1,-0.1 -2,-0.1 -0.603 45.2-106.3 -78.0 141.2 5.7 -7.0 36.9 132 158 A S > - 0 0 57 -2,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.287 20.7-121.5 -64.7 149.8 2.4 -8.8 37.5 133 159 A V H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.812 112.6 56.8 -64.8 -29.6 0.0 -9.4 34.5 134 160 A E H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.883 108.9 45.6 -65.7 -41.3 -2.8 -7.5 36.4 135 161 A E H > S+ 0 0 49 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.896 110.2 54.6 -69.4 -37.0 -0.6 -4.5 36.7 136 162 A I H X S+ 0 0 1 -4,-2.1 4,-3.3 2,-0.2 -2,-0.2 0.928 106.5 50.2 -64.5 -45.3 0.5 -4.7 33.1 137 163 A N H X S+ 0 0 96 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.909 113.3 46.1 -57.7 -44.5 -3.0 -4.7 31.7 138 164 A K H X S+ 0 0 151 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.924 114.4 48.9 -62.2 -42.9 -3.9 -1.7 33.8 139 165 A T H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.881 104.4 59.1 -67.6 -39.9 -0.6 -0.0 32.7 140 166 A L H < S+ 0 0 25 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 111.0 41.2 -54.5 -45.5 -1.3 -0.8 29.0 141 167 A K H >< S+ 0 0 184 -4,-1.6 3,-0.9 -5,-0.2 -2,-0.2 0.927 117.0 50.0 -70.3 -40.4 -4.5 1.2 29.1 142 168 A Q H 3< S+ 0 0 80 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 115.4 37.5 -67.1 -37.6 -3.0 3.9 31.2 143 169 A C T 3< 0 0 0 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.059 360.0 360.0-111.4 34.6 0.1 4.7 29.2 144 170 A S < 0 0 90 -3,-0.9 156,-0.1 -5,-0.1 -3,-0.0 -0.646 360.0 360.0 -89.1 360.0 -1.3 4.2 25.7 145 ! 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 0.0 146 177 A I 0 0 92 0, 0.0 4,-0.1 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 102.0 -1.3 19.3 14.4 147 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17,-0.1 -0.768 70.4-126.0 -91.0 119.0 27.0 17.2 38.5 327 365 A S > - 0 0 2 -2,-0.6 4,-1.5 15,-0.1 3,-0.4 -0.123 22.1-107.8 -60.9 155.2 29.2 14.1 38.1 328 366 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.901 117.2 52.1 -46.9 -50.3 32.1 13.4 40.5 329 367 A E H > S+ 0 0 25 1,-0.3 4,-2.6 71,-0.2 7,-0.3 0.819 106.7 51.8 -67.1 -33.1 34.8 14.2 38.0 330 368 A R H 4 S+ 0 0 110 -3,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.820 114.0 45.3 -67.9 -32.2 33.3 17.6 37.1 331 369 A L H < S+ 0 0 46 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.829 122.1 37.2 -75.0 -34.6 33.3 18.4 40.9 332 370 A K H < S+ 0 0 110 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.760 112.6 52.2 -92.7 -29.8 36.9 17.0 41.4 333 371 A N >< - 0 0 69 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 -0.937 58.2-163.3-120.9 112.2 38.8 18.0 38.2 334 372 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.664 91.9 53.0 -70.7 -16.0 38.8 21.7 37.1 335 373 A F T 3 S+ 0 0 183 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.494 83.1 126.4 -94.7 -5.5 40.1 20.9 33.6 336 374 A C < - 0 0 20 -3,-1.4 2,-0.4 -7,-0.3 -6,-0.0 -0.198 53.2-138.9 -60.9 137.1 37.3 18.3 33.0 337 375 A L - 0 0 140 1,-0.0 2,-0.5 0, 0.0 5,-0.1 -0.787 21.1-113.0 -96.9 140.3 35.1 18.7 30.0 338 376 A Y + 0 0 45 -2,-0.4 2,-0.2 4,-0.1 -1,-0.0 -0.615 58.1 159.8 -67.2 122.1 31.4 18.1 30.1 339 377 A D >> - 0 0 57 -2,-0.5 4,-2.5 1,-0.0 3,-0.7 -0.810 55.2 -75.4-140.4-179.3 31.0 15.0 27.9 340 378 A I H 3> S+ 0 0 67 1,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.870 128.1 47.0 -47.0 -48.2 28.8 12.0 27.1 341 379 A K H 3> S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.819 109.9 53.8 -67.5 -33.5 29.6 10.2 30.3 342 380 A A H <> S+ 0 0 1 -3,-0.7 4,-1.7 2,-0.2 3,-0.2 0.961 110.3 47.0 -62.9 -52.2 29.1 13.3 32.4 343 381 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.833 107.4 57.7 -55.9 -37.7 25.6 13.7 30.9 344 382 A I H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.902 103.3 52.7 -64.0 -37.4 25.0 10.0 31.5 345 383 A Y H X S+ 0 0 5 -4,-1.8 4,-1.0 -3,-0.2 -2,-0.2 0.907 108.8 50.7 -59.6 -42.1 25.6 10.6 35.3 346 384 A S H >X S+ 0 0 8 -4,-1.7 4,-1.4 1,-0.2 3,-0.8 0.930 109.4 50.5 -60.0 -47.1 23.0 13.4 35.2 347 385 A F H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.833 103.4 60.8 -59.1 -37.7 20.5 11.1 33.5 348 386 A G H 3X S+ 0 0 0 -4,-2.0 4,-1.0 49,-0.3 -1,-0.2 0.772 101.5 51.4 -63.5 -28.8 21.2 8.5 36.2 349 387 A I H - 0 0 75 -3,-0.1 3,-1.0 -105,-0.0 2,-0.1 -0.798 44.6-112.5 -86.5 130.0 14.1 14.3 45.9 360 398 A P T 3 S- 0 0 5 0, 0.0 3,-0.2 0, 0.0 -36,-0.1 -0.429 91.8 -2.7 -70.3 136.3 17.8 13.5 45.5 361 399 A F T > S- 0 0 8 1,-0.2 3,-2.0 -2,-0.1 2,-0.1 0.875 90.3-152.4 51.1 47.8 20.0 14.4 48.5 362 400 A E T < S+ 0 0 133 -3,-1.0 -1,-0.2 1,-0.3 3,-0.1 -0.253 70.4 8.5 -59.5 121.0 17.0 15.9 50.3 363 401 A G T 3 S+ 0 0 85 1,-0.3 2,-0.4 -3,-0.2 -1,-0.3 0.352 96.9 125.7 96.3 -4.6 18.0 18.6 52.8 364 402 A C < - 0 0 49 -3,-2.0 -1,-0.3 4,-0.0 2,-0.1 -0.731 52.4-137.5 -96.5 132.2 21.6 18.8 51.7 365 403 A D >> - 0 0 103 -2,-0.4 4,-2.3 -3,-0.1 3,-0.6 -0.386 34.7 -99.3 -76.9 163.4 23.3 22.1 50.7 366 404 A S H 3> S+ 0 0 51 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.842 123.4 55.2 -52.0 -41.4 25.7 22.2 47.7 367 405 A K H 3> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.903 111.0 46.2 -59.6 -40.6 28.8 22.0 49.9 368 406 A K H <> S+ 0 0 93 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.890 112.3 48.9 -68.2 -41.7 27.4 18.9 51.4 369 407 A I H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.908 105.5 59.5 -65.1 -44.3 26.4 17.3 48.0 370 408 A R H X S+ 0 0 118 -4,-2.9 4,-2.0 -5,-0.2 5,-0.3 0.876 111.6 40.5 -46.1 -45.2 29.9 18.1 46.7 371 409 A E H X>S+ 0 0 53 -4,-1.2 4,-2.4 2,-0.2 5,-1.6 0.922 111.1 51.7 -80.9 -44.4 31.4 16.0 49.5 372 410 A L H <5S+ 0 0 27 -4,-2.3 6,-2.5 3,-0.2 4,-0.4 0.920 121.2 36.6 -55.5 -41.7 29.0 13.0 49.6 373 411 A V H <5S+ 0 0 5 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.862 124.2 36.5 -83.7 -39.8 29.5 12.6 45.8 374 412 A A H <5S+ 0 0 15 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.767 133.4 21.9 -87.0 -25.3 33.1 13.5 45.3 375 413 A E T <5S+ 0 0 137 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.778 130.4 35.8-111.1 -39.3 34.6 12.0 48.4 376 414 A D S - 0 0 30 -2,-0.2 3,-1.4 -28,-0.1 -1,-0.2 -0.100 37.0-102.9 -68.9 170.2 13.8 1.2 47.1 384 422 A Q T 3 S+ 0 0 172 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.754 117.0 57.8 -63.1 -29.1 13.3 -2.5 47.7 385 423 A D T 3 S+ 0 0 133 2,-0.1 -1,-0.3 3,-0.0 -124,-0.1 0.358 73.9 118.7 -91.2 3.9 10.6 -2.8 45.1 386 424 A C S < S- 0 0 8 -3,-1.4 5,-0.1 1,-0.1 -4,-0.0 -0.548 77.0-106.9 -70.8 131.5 12.7 -1.6 42.2 387 425 A P >> - 0 0 15 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.393 27.7-123.5 -57.8 135.3 13.0 -4.3 39.5 388 426 A E H 3> S+ 0 0 105 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.847 111.1 56.6 -51.1 -42.3 16.5 -5.6 39.7 389 427 A L H 3> S+ 0 0 36 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.905 109.5 46.3 -54.2 -43.0 17.1 -4.8 36.0 390 428 A L H <> S+ 0 0 3 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.835 109.1 55.0 -72.7 -33.5 16.2 -1.2 36.7 391 429 A R H X S+ 0 0 72 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.877 107.3 48.8 -69.5 -38.3 18.4 -1.0 39.8 392 430 A E H X S+ 0 0 76 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 111.3 49.5 -70.6 -37.3 21.6 -2.2 38.0 393 431 A I H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.935 114.4 44.7 -61.7 -46.8 21.1 0.4 35.2 394 432 A I H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.914 112.1 53.2 -64.6 -44.8 20.6 3.2 37.7 395 433 A N H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.874 113.6 43.7 -50.9 -41.8 23.6 1.9 39.7 396 434 A E H >< S+ 0 0 62 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.777 104.0 60.1 -83.4 -28.0 25.7 2.0 36.6 397 435 A C H 3< S+ 0 0 0 -4,-2.1 -49,-0.3 1,-0.2 -1,-0.2 0.806 110.6 46.3 -64.9 -27.5 24.6 5.4 35.2 398 436 A R T 3< S+ 0 0 7 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.237 82.3 146.5 -97.7 10.5 25.9 6.8 38.5 399 437 A A < - 0 0 14 -3,-1.2 6,-0.1 1,-0.1 -3,-0.1 -0.155 53.1-132.6 -49.2 136.4 29.2 4.8 38.4 400 438 A H S S+ 0 0 39 -23,-0.1 -71,-0.2 1,-0.1 -1,-0.1 0.899 95.9 65.0 -63.4 -39.3 32.1 6.8 40.0 401 439 A E S > S- 0 0 107 1,-0.1 3,-2.1 -73,-0.1 4,-0.1 -0.771 80.6-146.3 -84.4 120.4 34.3 6.1 37.1 402 440 A P G > S+ 0 0 26 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.853 96.6 59.4 -54.2 -42.6 32.9 7.7 33.9 403 441 A S G 3 S+ 0 0 87 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.567 97.7 63.1 -65.3 -10.4 34.1 4.9 31.6 404 442 A Q G < S+ 0 0 135 -3,-2.1 -1,-0.3 -5,-0.1 -5,-0.1 0.369 83.8 96.2 -94.2 2.5 32.0 2.5 33.7 405 443 A R S < S- 0 0 7 -3,-1.9 -8,-0.2 -4,-0.1 -60,-0.1 -0.655 74.7-118.3 -93.5 149.3 28.7 4.1 32.7 406 444 A P - 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.187 21.7-111.7 -72.5 173.3 26.5 2.8 29.9 407 445 A S > - 0 0 54 1,-0.1 4,-2.1 -63,-0.0 3,-0.2 -0.716 29.4-115.6 -89.2 158.5 25.5 4.6 26.7 408 446 A V H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.843 123.2 63.1 -60.3 -29.4 21.8 5.5 26.5 409 447 A D H > S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.938 103.9 44.6 -55.9 -46.4 22.1 3.1 23.6 410 448 A G H > S+ 0 0 19 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.838 108.1 56.7 -70.2 -34.3 23.0 0.4 26.2 411 449 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.962 109.2 46.8 -59.9 -49.0 20.2 1.4 28.6 412 450 A L H X S+ 0 0 28 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.852 110.7 52.8 -61.7 -37.7 17.6 0.9 25.8 413 451 A E H X S+ 0 0 131 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.953 110.9 44.3 -64.6 -52.5 19.1 -2.4 24.8 414 452 A R H < S+ 0 0 73 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.917 113.9 52.6 -54.5 -46.9 19.1 -4.0 28.3 415 453 A L H < S+ 0 0 8 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.871 117.4 36.5 -57.0 -41.9 15.6 -2.6 28.8 416 454 A S H < 0 0 72 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.757 360.0 360.0 -83.4 -26.3 14.3 -4.1 25.5 417 455 A A < 0 0 73 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.972 360.0 360.0 -49.1 360.0 16.5 -7.3 26.0