==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-SEP-10 3OXI . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.K.HOM,S.BOWERS,J.SEALY,A.TRUONG,G.D.PROBST,M.NEITZEL,J.NEI . 332 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 18 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 2 1 0 0 1 0 0 1 1 1 1 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 . 0 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 46 A N 0 0 178 0, 0.0 16,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.8 26.6 7.3 -33.7 2 47 A Q + 0 0 125 85,-0.1 15,-1.9 14,-0.1 2,-0.3 0.502 360.0 65.5 -73.5 -5.3 24.1 4.5 -34.2 3 48 A F E -A 16 0A 15 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.761 53.6-173.5-124.1 159.6 21.3 6.6 -32.7 4 49 A Y E -A 15 0A 74 11,-2.0 11,-2.4 -2,-0.3 2,-0.4 -0.962 22.8-124.3-144.2 162.0 19.2 9.7 -33.2 5 50 A S E -A 14 0A 68 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.857 18.6-174.2-113.7 143.6 16.7 11.5 -31.1 6 51 A V E -A 13 0A 36 7,-2.3 7,-2.9 -2,-0.4 2,-0.5 -1.000 22.8-132.6-133.3 131.2 13.1 12.5 -31.9 7 52 A E E +A 12 0A 136 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.748 24.9 178.9 -88.7 128.1 11.0 14.6 -29.6 8 53 A V E > -A 11 0A 12 3,-3.2 3,-1.8 -2,-0.5 24,-0.1 -0.963 63.4 -48.4-130.1 106.8 7.5 13.1 -29.1 9 54 A G T 3 S- 0 0 68 -2,-0.4 -1,-0.0 1,-0.3 0, 0.0 -0.368 120.5 -26.8 59.8-143.7 5.3 15.1 -26.7 10 55 A D T 3 S+ 0 0 183 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.068 127.9 88.7 -81.6 24.3 7.4 15.9 -23.6 11 56 A S E < -A 8 0A 29 -3,-1.8 -3,-3.2 2,-0.0 2,-0.5 -0.915 65.8-145.2-123.4 145.3 9.4 12.7 -24.3 12 57 A T E -A 7 0A 47 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.963 6.5-157.4-112.6 129.3 12.5 12.0 -26.3 13 58 A F E -A 6 0A 1 -7,-2.9 -7,-2.3 -2,-0.5 2,-0.7 -0.937 5.0-167.6 -97.7 119.0 12.9 8.7 -28.1 14 59 A T E +A 5 0A 30 -2,-0.6 2,-0.3 -9,-0.2 -9,-0.2 -0.956 27.7 167.0-110.4 106.7 16.5 8.0 -28.8 15 60 A V E -A 4 0A 0 -11,-2.4 -11,-2.0 -2,-0.7 2,-0.1 -0.763 43.6 -84.5-125.6 159.6 16.4 5.2 -31.2 16 61 A L E > -A 3 0A 29 -2,-0.3 3,-2.2 -13,-0.2 -13,-0.2 -0.381 45.7-117.2 -59.3 147.9 18.5 3.2 -33.7 17 62 A K T 3 S+ 0 0 108 -15,-1.9 -1,-0.1 1,-0.3 -14,-0.1 0.725 109.8 74.3 -70.2 -19.2 18.6 5.0 -37.0 18 63 A R T 3 S+ 0 0 64 -16,-0.3 21,-3.2 20,-0.1 2,-0.6 0.642 83.2 79.9 -60.9 -19.4 16.9 2.1 -38.7 19 64 A Y E < +B 38 0B 0 -3,-2.2 2,-0.3 19,-0.2 3,-0.2 -0.885 69.7 176.9-100.5 117.8 13.7 3.4 -37.0 20 65 A Q E +B 37 0B 74 17,-2.3 17,-2.8 -2,-0.6 -2,-0.0 -0.760 44.3 18.8-130.3 150.6 12.3 6.2 -39.0 21 66 A N E S- 0 0 126 -2,-0.3 -1,-0.2 15,-0.2 2,-0.2 0.909 72.3-161.1 57.9 49.7 9.3 8.6 -39.0 22 67 A L E + 0 0 17 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.438 15.0 174.2 -65.3 132.4 8.3 8.0 -35.4 23 68 A K E -B 35 0B 121 12,-2.7 12,-2.7 -2,-0.2 2,-0.1 -0.997 33.2-107.7-141.8 139.9 4.7 9.0 -34.7 24 69 A P E +B 34 0B 86 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.369 40.8 158.0 -70.7 133.2 2.6 8.6 -31.5 25 70 A I E + 0 0 99 8,-3.0 2,-0.3 1,-0.3 9,-0.2 0.431 65.5 40.9-122.2 -15.8 -0.2 6.0 -31.6 26 71 A G E +B 33 0B 24 7,-2.0 7,-1.8 2,-0.0 -1,-0.3 -0.990 46.0 175.1-139.1 144.1 -0.5 5.4 -27.8 27 72 A S E +B 32 0B 115 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.883 33.2 126.6-145.0 112.1 -0.5 7.3 -24.6 28 73 A G E > S-B 31 0B 31 3,-0.8 3,-5.7 -2,-0.3 -2,-0.0 -0.915 73.3 -69.1-169.8 143.0 -1.3 5.3 -21.4 29 74 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.348 132.1 47.8 2.4 -89.1 0.4 4.8 -17.9 30 75 A Q T 3 S- 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.717 120.9-127.4 -24.2 -42.9 3.4 2.7 -19.2 31 76 A G E < -B 28 0B 19 -3,-5.7 -3,-0.8 19,-0.1 2,-0.4 -0.804 43.8 -0.5 137.0-157.9 3.6 5.6 -21.7 32 77 A I E -B 27 0B 33 -2,-0.3 17,-0.9 -5,-0.2 2,-0.5 -0.585 47.5-162.0 -72.8 127.3 3.9 6.8 -25.3 33 78 A V E -BC 26 48B 29 -7,-1.8 -8,-3.0 -2,-0.4 -7,-2.0 -0.960 10.1-158.4-105.2 129.5 3.9 4.1 -28.0 34 79 A C E -BC 24 47B 0 13,-2.9 13,-3.4 -2,-0.5 2,-0.3 -0.948 11.9-140.2-108.7 131.9 5.2 5.3 -31.4 35 80 A A E +BC 23 46B 11 -12,-2.7 -12,-2.7 -2,-0.5 2,-0.3 -0.604 35.3 167.9 -70.1 146.7 4.6 3.8 -34.8 36 81 A A E - C 0 45B 4 9,-2.5 9,-2.8 -2,-0.3 2,-0.5 -0.974 37.3-109.0-156.3 162.1 7.8 3.8 -36.9 37 82 A Y E -BC 20 44B 70 -17,-2.8 -17,-2.3 -2,-0.3 2,-0.8 -0.878 24.3-144.7 -99.6 130.7 9.2 2.4 -40.1 38 83 A D E >> -BC 19 43B 0 5,-3.8 4,-1.8 -2,-0.5 5,-1.5 -0.841 10.7-168.2 -95.1 108.3 11.9 -0.2 -39.7 39 84 A A T 45S+ 0 0 40 -21,-3.2 -1,-0.2 -2,-0.8 -20,-0.1 0.750 85.1 53.0 -66.3 -30.0 14.3 0.3 -42.6 40 85 A V T 45S+ 0 0 97 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.858 121.3 29.9 -75.8 -39.6 16.2 -3.0 -42.0 41 86 A L T 45S- 0 0 75 2,-0.2 -2,-0.2 -23,-0.1 -1,-0.2 0.588 100.3-132.1 -89.3 -14.4 13.0 -5.1 -42.0 42 87 A D T <5S+ 0 0 117 -4,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.966 70.6 113.4 54.2 58.0 11.1 -2.8 -44.5 43 88 A R E + 0 0 161 -2,-0.6 3,-1.6 1,-0.1 4,-0.3 0.820 68.9 179.5 40.4 59.2 11.2 4.9 -15.4 53 98 A P T 3 S+ 0 0 5 0, 0.0 10,-0.3 0, 0.0 3,-0.3 0.751 77.9 43.6 -68.5 -24.1 12.4 1.3 -15.1 54 99 A F T 3 S+ 0 0 32 41,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.181 77.4 107.9-109.0 36.3 15.1 2.1 -12.4 55 100 A Q S < S- 0 0 99 -3,-1.6 2,-0.3 1,-0.3 -1,-0.1 0.849 96.1 -26.4 -75.0 -34.3 12.9 4.4 -10.3 56 101 A N S > S- 0 0 52 -4,-0.3 4,-2.9 -3,-0.3 -1,-0.3 -0.972 71.9 -84.2-170.7 175.5 12.7 1.7 -7.6 57 102 A Q H > S+ 0 0 71 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.827 124.6 54.5 -61.1 -34.6 12.9 -2.0 -6.9 58 103 A T H > S+ 0 0 84 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.916 111.3 42.0 -68.4 -50.3 9.3 -2.4 -7.8 59 104 A H H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.888 116.3 52.1 -60.1 -43.1 9.7 -0.7 -11.2 60 105 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.917 109.4 45.6 -63.7 -46.1 12.9 -2.7 -11.8 61 106 A K H X S+ 0 0 60 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.851 114.7 49.6 -72.7 -28.7 11.5 -6.1 -11.0 62 107 A R H X S+ 0 0 103 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.826 110.3 50.0 -73.2 -36.9 8.5 -5.4 -13.2 63 108 A A H X S+ 0 0 3 -4,-2.1 4,-2.6 -10,-0.3 -2,-0.2 0.932 113.2 46.4 -62.0 -48.4 10.6 -4.2 -16.1 64 109 A Y H X S+ 0 0 70 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.954 113.8 48.5 -61.7 -47.9 12.8 -7.3 -15.9 65 110 A R H X S+ 0 0 148 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.897 110.6 51.1 -59.3 -43.7 9.6 -9.4 -15.7 66 111 A E H X S+ 0 0 37 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.942 110.8 49.7 -58.5 -45.7 8.1 -7.6 -18.7 67 112 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.937 110.2 47.3 -58.5 -55.2 11.2 -8.2 -20.7 68 113 A V H X S+ 0 0 44 -4,-2.2 4,-0.7 1,-0.2 5,-0.2 0.887 113.9 47.6 -57.4 -42.2 11.6 -12.0 -20.0 69 114 A L H >X S+ 0 0 33 -4,-1.9 4,-2.8 1,-0.2 3,-0.7 0.916 112.3 47.8 -70.7 -42.2 7.9 -12.8 -20.8 70 115 A M H 3< S+ 0 0 15 -4,-2.1 11,-0.5 -5,-0.2 -1,-0.2 0.860 111.6 53.0 -63.1 -33.8 7.8 -10.8 -24.0 71 116 A K H 3< S+ 0 0 61 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.603 124.1 22.5 -78.6 -15.1 11.0 -12.5 -25.1 72 117 A C H << S+ 0 0 83 -4,-0.7 2,-1.2 -3,-0.7 -2,-0.2 0.534 101.1 80.5-134.5 -15.1 9.8 -16.0 -24.6 73 118 A V < + 0 0 19 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 -0.790 64.0 159.4 -89.9 88.4 6.0 -16.0 -24.7 74 119 A N + 0 0 127 -2,-1.2 2,-0.3 -3,-0.1 5,-0.1 -0.873 1.9 141.6-107.9 150.1 5.7 -16.0 -28.5 75 120 A H > - 0 0 22 3,-0.4 3,-1.5 -2,-0.3 230,-0.1 -0.917 61.0-100.7-176.4 155.5 2.6 -17.1 -30.4 76 121 A K T 3 S+ 0 0 103 -2,-0.3 82,-0.1 1,-0.3 4,-0.1 0.684 119.7 48.2 -61.2 -19.2 0.7 -16.1 -33.5 77 122 A N T 3 S+ 0 0 2 82,-0.1 83,-1.7 53,-0.1 2,-0.4 0.022 97.5 73.6-115.1 25.4 -1.9 -14.3 -31.4 78 123 A I B < S-f 160 0C 7 -3,-1.5 -3,-0.4 81,-0.3 83,-0.2 -0.997 95.5-101.0-131.3 134.3 0.2 -12.3 -29.0 79 124 A I - 0 0 9 81,-2.5 2,-0.2 -2,-0.4 -2,-0.1 -0.311 45.1-130.4 -54.9 126.1 2.0 -9.2 -30.3 80 125 A S - 0 0 30 -4,-0.1 22,-2.0 -6,-0.1 2,-0.5 -0.582 4.7-128.5 -86.7 148.0 5.6 -10.3 -30.9 81 126 A L E -E 101 0B 29 -11,-0.5 20,-0.3 20,-0.2 3,-0.1 -0.815 23.2-176.9 -88.5 129.3 8.7 -8.4 -29.7 82 127 A L E - 0 0 57 18,-3.8 2,-0.3 -2,-0.5 19,-0.2 0.775 61.8 -14.9-100.5 -32.3 11.0 -7.8 -32.6 83 128 A N E -E 100 0B 49 17,-1.6 17,-3.0 2,-0.0 -1,-0.4 -0.967 50.3-156.3-162.1 162.3 13.9 -6.1 -30.9 84 129 A V E +E 99 0B 8 239,-0.3 2,-0.3 -2,-0.3 15,-0.2 -0.974 25.1 160.1-143.4 144.3 14.9 -4.4 -27.6 85 130 A F E -E 98 0B 12 13,-2.0 13,-2.6 -2,-0.3 239,-0.1 -0.990 29.1-141.2-156.0 166.3 17.7 -1.8 -27.2 86 131 A T - 0 0 9 -2,-0.3 11,-0.1 11,-0.2 -71,-0.1 -0.990 11.9-147.6-127.7 143.6 19.3 0.9 -25.1 87 132 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -85,-0.1 0.658 78.1 90.6 -76.1 -17.7 21.0 4.1 -26.4 88 133 A Q - 0 0 26 8,-0.3 -2,-0.1 1,-0.1 6,-0.0 -0.596 62.5-159.2 -85.1 144.1 23.3 4.1 -23.3 89 134 A K + 0 0 111 -2,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.291 67.6 44.1-114.3 8.0 26.6 2.3 -23.7 90 135 A T S > S- 0 0 43 1,-0.1 4,-2.3 0, 0.0 -2,-0.0 -0.973 75.1-121.0-146.0 165.5 27.5 1.7 -20.1 91 136 A L T 4 S+ 0 0 56 -2,-0.3 -1,-0.1 2,-0.2 -3,-0.0 0.875 113.7 60.0 -71.8 -40.6 25.9 0.6 -16.8 92 137 A E T 4 S+ 0 0 180 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.969 116.4 34.2 -43.2 -57.3 26.8 3.8 -15.1 93 138 A E T 4 S+ 0 0 85 2,-0.0 -2,-0.2 0, 0.0 -1,-0.2 0.795 86.6 127.3 -69.6 -37.5 24.7 5.5 -17.8 94 139 A F < + 0 0 0 -4,-2.3 3,-0.1 1,-0.2 -3,-0.0 0.050 18.0 126.4 -39.9 118.5 22.0 2.9 -18.3 95 140 A Q + 0 0 94 1,-0.3 2,-0.4 -42,-0.0 -41,-0.3 0.533 52.9 60.4-135.9 -44.4 18.5 4.5 -17.9 96 141 A D - 0 0 41 -44,-0.1 2,-0.4 -43,-0.1 -8,-0.3 -0.837 48.9-169.0-111.1 137.4 16.2 3.7 -20.9 97 142 A V - 0 0 0 -2,-0.4 -47,-2.0 -47,-0.3 2,-0.5 -0.992 9.6-159.4-120.8 126.8 14.9 0.5 -22.4 98 143 A Y E -DE 49 85B 0 -13,-2.6 -13,-2.0 -2,-0.4 2,-0.5 -0.903 1.2-159.2-112.0 124.5 13.2 0.5 -25.8 99 144 A L E -DE 48 84B 1 -51,-3.1 -51,-2.4 -2,-0.5 2,-0.5 -0.914 3.7-159.4-100.2 127.1 10.9 -2.3 -26.9 100 145 A V E +DE 47 83B 0 -17,-3.0 -18,-3.8 -2,-0.5 -17,-1.6 -0.942 21.5 171.3-108.7 120.5 10.2 -2.8 -30.6 101 146 A M E -DE 46 81B 17 -55,-3.3 -55,-2.3 -2,-0.5 -20,-0.2 -0.745 38.1 -80.3-120.8 169.7 7.0 -4.8 -31.4 102 147 A E E -D 45 0B 19 -22,-2.0 2,-0.5 -2,-0.2 -57,-0.2 -0.374 39.1-143.5 -59.2 146.4 4.9 -5.7 -34.4 103 148 A L - 0 0 45 -59,-0.8 -59,-0.1 -2,-0.1 2,-0.1 -0.983 17.3-171.9-116.3 121.5 2.5 -3.1 -35.6 104 149 A M - 0 0 23 -2,-0.5 49,-0.2 2,-0.1 3,-0.1 -0.258 35.6-100.0 -95.5-167.4 -0.9 -4.3 -36.9 105 150 A D S S- 0 0 89 47,-1.5 2,-0.3 1,-0.2 48,-0.2 0.789 80.0 -24.5 -91.8 -32.4 -3.5 -2.2 -38.6 106 151 A A E -G 152 0C 18 46,-1.7 46,-2.2 3,-0.0 -1,-0.2 -0.951 57.8 -90.2-165.6 172.2 -6.1 -1.3 -35.8 107 152 A N E > -G 151 0C 56 -2,-0.3 4,-0.6 44,-0.2 3,-0.3 -0.385 42.0-109.1 -81.1 175.1 -7.9 -2.0 -32.5 108 153 A L H > S+ 0 0 0 39,-2.2 4,-3.2 42,-1.0 5,-0.2 0.615 104.5 87.2 -76.1 -19.0 -11.1 -3.9 -32.1 109 154 A C H > S+ 0 0 62 38,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.901 92.7 44.8 -46.6 -48.9 -12.9 -0.6 -31.3 110 155 A Q H >> S+ 0 0 101 -3,-0.3 3,-0.9 1,-0.2 4,-0.8 0.980 115.3 45.0 -52.8 -63.3 -13.4 -0.3 -35.0 111 156 A V H >< S+ 0 0 0 -4,-0.6 3,-0.7 1,-0.3 -2,-0.2 0.806 101.1 65.9 -63.0 -37.1 -14.5 -3.8 -35.7 112 157 A I H 3< S+ 0 0 0 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.917 102.8 49.1 -47.8 -46.0 -16.9 -4.2 -32.8 113 158 A Q H << S+ 0 0 110 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.719 98.4 79.9 -74.2 -24.6 -19.2 -1.5 -34.3 114 159 A M S << S- 0 0 56 -4,-0.8 2,-0.5 -3,-0.7 86,-0.1 -0.511 88.8-110.5 -80.8 151.7 -19.3 -3.1 -37.8 115 160 A E - 0 0 158 -2,-0.2 2,-0.3 144,-0.0 83,-0.1 -0.733 40.0-169.3 -91.5 128.3 -21.6 -6.1 -38.5 116 161 A L - 0 0 17 -2,-0.5 2,-0.0 81,-0.3 -4,-0.0 -0.857 20.9-115.9-121.2 147.9 -19.7 -9.3 -39.0 117 162 A D > - 0 0 51 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.317 38.0-103.8 -70.6 163.0 -20.6 -12.8 -40.2 118 163 A H H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.768 119.0 60.3 -56.3 -31.1 -20.3 -15.7 -37.9 119 164 A E H > S+ 0 0 109 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A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.901 111.5 51.1 -59.3 -41.6 -8.9 -17.4 -26.9 130 175 A C H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.877 111.3 47.0 -64.1 -39.2 -5.8 -19.0 -28.3 131 176 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.944 113.2 49.2 -68.3 -47.1 -3.7 -15.9 -27.4 132 177 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.828 108.1 55.1 -57.5 -38.8 -5.2 -15.8 -23.9 133 178 A K H X S+ 0 0 45 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.923 108.4 47.6 -63.7 -44.7 -4.5 -19.6 -23.5 134 179 A H H X S+ 0 0 59 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.880 110.2 52.5 -62.4 -41.1 -0.8 -19.0 -24.3 135 180 A L H <>S+ 0 0 1 -4,-2.1 5,-3.0 2,-0.2 -2,-0.2 0.959 111.9 45.6 -53.3 -54.6 -0.6 -16.1 -21.8 136 181 A H H ><5S+ 0 0 25 -4,-2.3 3,-2.4 3,-0.2 -2,-0.2 0.911 108.4 56.6 -61.2 -41.3 -2.1 -18.3 -19.1 137 182 A S H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.903 106.7 50.6 -53.4 -42.7 0.3 -21.1 -20.1 138 183 A A T 3<5S- 0 0 42 -4,-2.1 -1,-0.3 -3,-0.1 -2,-0.2 0.307 128.1-103.5 -76.1 8.0 3.1 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149 194 A N G < S+ 0 0 37 -3,-1.2 12,-2.8 -5,-0.1 2,-0.4 0.329 99.7 70.4 -92.4 -4.1 -5.8 -3.9 -25.9 150 195 A I E < - H 0 160C 1 -3,-0.8 -42,-1.0 -4,-0.2 2,-0.3 -0.989 68.9-161.3-125.3 128.7 -6.5 -6.3 -28.8 151 196 A V E -GH 107 159C 15 8,-2.7 8,-3.1 -2,-0.4 2,-0.3 -0.847 4.0-163.9-124.3 151.0 -5.3 -5.5 -32.3 152 197 A V E -GH 106 158C 0 -46,-2.2 -46,-1.7 -2,-0.3 -47,-1.5 -0.833 8.4-142.7-132.0 158.4 -6.2 -6.7 -35.8 153 198 A K > - 0 0 82 4,-2.2 3,-1.7 -2,-0.3 4,-0.2 -0.815 36.0-101.8-120.9 164.4 -4.9 -6.9 -39.3 154 199 A S T 3 S+ 0 0 66 1,-0.3 179,-1.7 -2,-0.3 181,-0.1 0.568 118.7 58.1 -62.3 -13.2 -6.6 -6.5 -42.8 155 200 A D T 3 S- 0 0 63 177,-0.3 -1,-0.3 2,-0.1 177,-0.2 0.003 124.4 -99.2-104.1 21.3 -6.5 -10.3 -43.3 156 201 A C S < S+ 0 0 0 -3,-1.7 2,-0.2 1,-0.2 -2,-0.2 0.696 74.0 147.6 71.1 21.0 -8.5 -11.0 -40.2 157 202 A T - 0 0 44 -4,-0.2 -4,-2.2 174,-0.1 2,-0.4 -0.609 29.0-160.2 -82.6 150.4 -5.5 -11.9 -38.0 158 203 A L E + H 0 152C 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -1.000 12.3 179.6-138.5 133.6 -5.7 -10.9 -34.3 159 204 A K E - H 0 151C 30 -8,-3.1 -8,-2.7 -2,-0.4 2,-0.4 -0.973 26.6-124.3-133.6 151.1 -3.2 -10.4 -31.5 160 205 A I E -fH 78 150C 0 -83,-1.7 -81,-2.5 -2,-0.3 -10,-0.2 -0.808 21.3-143.4 -90.9 133.2 -3.3 -9.5 -27.8 161 206 A L - 0 0 60 -12,-2.8 -1,-0.2 -2,-0.4 2,-0.2 0.983 53.5 -53.7 -65.7 -67.3 -1.2 -6.5 -26.9 162 207 A D - 0 0 34 -13,-0.3 2,-0.3 -84,-0.1 -83,-0.0 -0.465 54.1 -84.9-149.2-142.6 0.3 -7.1 -23.5 163 208 A F 0 0 35 -2,-0.2 -21,-0.1 -20,-0.0 -20,-0.1 -0.826 360.0 360.0-154.5 112.6 -0.5 -8.1 -19.9 164 209 A G 0 0 75 -22,-0.4 -23,-0.1 -2,-0.3 -19,-0.0 -0.136 360.0 360.0 -52.1 360.0 -1.5 -5.8 -17.0 165 ! 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 0.0 166 225 A V 0 0 144 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 148.1 -9.8 4.1 -17.8 167 226 A T + 0 0 47 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.699 360.0 167.4 -67.1 115.7 -12.4 1.7 -19.4 168 227 A R > + 0 0 33 -2,-0.6 3,-1.0 1,-0.1 -1,-0.1 0.184 47.0 103.3-113.1 12.4 -13.5 -0.6 -16.6 169 228 A Y T 3 S+ 0 0 61 1,-0.2 35,-0.3 37,-0.0 -1,-0.1 0.526 79.5 48.2 -75.2 -10.0 -16.5 -2.0 -18.5 170 229 A Y T 3 S+ 0 0 10 -3,-0.1 2,-0.3 33,-0.1 -1,-0.2 0.301 83.8 114.1-114.8 3.2 -14.8 -5.3 -19.4 171 230 A R S < S- 0 0 46 -3,-1.0 -27,-0.1 -27,-0.1 15,-0.1 -0.625 71.0-107.8 -86.8 141.4 -13.5 -6.2 -16.0 172 231 A A >> - 0 0 1 -2,-0.3 4,-1.9 -29,-0.2 3,-1.2 -0.250 24.2-114.1 -73.5 150.3 -14.9 -9.3 -14.3 173 232 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.668 113.6 61.0 -52.9 -30.6 -17.2 -9.0 -11.3 174 233 A E H 34>S+ 0 0 1 2,-0.2 5,-2.9 3,-0.2 6,-0.5 0.775 108.9 43.5 -76.4 -26.1 -14.7 -10.6 -8.9 175 234 A V H X45S+ 0 0 41 -3,-1.2 3,-2.0 3,-0.2 -1,-0.1 0.960 113.1 50.9 -69.6 -66.8 -12.3 -7.7 -9.6 176 235 A I H 3<5S+ 0 0 21 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.1 0.873 119.9 38.4 -28.9 -54.0 -15.2 -5.2 -9.4 177 236 A L T 3<5S- 0 0 17 -4,-2.6 -1,-0.3 -5,-0.2 55,-0.2 0.582 107.8-127.5 -85.1 -9.9 -16.0 -6.8 -6.0 178 237 A G T < 5 + 0 0 52 -3,-2.0 -3,-0.2 -4,-0.4 -4,-0.1 0.939 63.1 134.8 63.6 52.0 -12.4 -7.4 -4.9 179 238 A M < - 0 0 49 -5,-2.9 -4,-0.1 1,-0.3 -5,-0.1 0.319 68.4-100.4-110.1 4.9 -12.8 -11.2 -4.1 180 239 A G - 0 0 51 -6,-0.5 2,-0.3 -5,-0.1 -1,-0.3 0.023 43.7-139.5 82.1 160.2 -9.6 -12.6 -5.8 181 240 A Y - 0 0 93 -3,-0.1 2,-0.2 101,-0.0 0, 0.0 -0.931 13.3-152.2-155.0 165.1 -9.6 -14.2 -9.2 182 241 A K > - 0 0 152 -2,-0.3 3,-1.9 0, 0.0 4,-0.3 -0.543 52.4 -64.8-132.7-165.4 -8.3 -17.0 -11.5 183 242 A E T > S+ 0 0 99 1,-0.3 3,-1.9 -2,-0.2 4,-0.2 0.878 123.1 62.8 -57.4 -41.1 -7.7 -17.7 -15.2 184 243 A N T >> S+ 0 0 25 1,-0.3 4,-1.0 2,-0.2 3,-0.6 0.469 75.4 91.9 -75.2 6.0 -11.3 -17.4 -16.2 185 244 A V H X> S+ 0 0 1 -3,-1.9 4,-0.9 1,-0.2 3,-0.5 0.920 88.1 51.4 -51.8 -42.4 -11.2 -13.7 -15.1 186 245 A D H <> S+ 0 0 0 -3,-1.9 4,-1.6 -4,-0.3 -1,-0.2 0.635 95.8 68.0 -75.0 -15.9 -10.3 -13.1 -18.7 187 246 A I H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.2 -1,-0.2 0.879 95.3 56.1 -70.5 -37.4 -13.2 -15.2 -20.1 188 247 A W H S- 0 0 70 -3,-0.1 4,-3.0 -40,-0.0 5,-0.1 -0.644 86.9 -77.2-137.1-178.0 -18.1 3.9 -11.5 209 268 A Y H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.792 124.3 56.2 -61.4 -31.1 -18.1 0.4 -10.0 210 269 A I H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.956 112.6 41.5 -62.5 -50.4 -21.4 0.9 -8.2 211 270 A D H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.910 113.0 56.5 -61.0 -49.2 -23.1 1.9 -11.5 212 271 A Q H X S+ 0 0 2 -4,-3.0 4,-1.7 1,-0.2 3,-0.2 0.936 104.5 50.5 -42.0 -60.2 -21.2 -1.0 -13.2 213 272 A W H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 3,-0.3 0.911 106.8 56.1 -52.2 -46.1 -22.6 -3.7 -10.8 214 273 A N H X S+ 0 0 27 -4,-1.7 4,-3.3 1,-0.3 -1,-0.2 0.889 106.4 48.6 -54.2 -46.1 -26.2 -2.4 -11.4 215 274 A K H X S+ 0 0 39 -4,-1.8 4,-1.6 -10,-0.2 -1,-0.3 0.831 111.7 52.2 -62.9 -33.5 -26.0 -2.9 -15.1 216 275 A V H X S+ 0 0 0 -4,-1.7 4,-3.0 -3,-0.3 5,-0.4 0.971 116.4 36.4 -69.0 -53.8 -24.6 -6.4 -14.5 217 276 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.872 112.3 60.6 -68.7 -37.4 -27.3 -7.5 -12.2 218 277 A E H < S+ 0 0 85 -4,-3.3 29,-0.2 -5,-0.3 -1,-0.2 0.924 120.2 26.5 -52.4 -42.2 -30.0 -5.6 -14.2 219 278 A Q H < S+ 0 0 29 -4,-1.6 29,-2.2 -5,-0.2 30,-0.6 0.835 133.7 30.8 -93.1 -38.6 -29.1 -7.7 -17.2 220 279 A L H < S- 0 0 35 -4,-3.0 -3,-0.2 27,-0.2 -2,-0.2 0.598 106.0-120.7 -97.1 -17.7 -27.8 -10.9 -15.8 221 280 A G < - 0 0 4 -4,-2.1 25,-0.2 -5,-0.4 -1,-0.1 0.088 42.4 -50.5 89.1 155.5 -29.8 -11.1 -12.6 222 281 A T - 0 0 37 23,-2.2 22,-0.1 -5,-0.1 2,-0.0 -0.294 59.9-117.7 -52.8 137.8 -28.6 -11.3 -8.9 223 282 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.372 37.9 -98.8 -71.6 162.8 -26.1 -13.9 -8.2 224 283 A C >> - 0 0 52 1,-0.1 3,-1.8 -2,-0.0 4,-1.5 -0.393 33.1 -99.0 -80.3 162.7 -27.1 -16.6 -5.7 225 284 A P H 3> S+ 0 0 80 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.702 120.4 64.3 -49.6 -33.2 -26.2 -16.8 -2.0 226 285 A E H 3> S+ 0 0 125 1,-0.2 4,-0.9 2,-0.2 0, 0.0 0.789 106.7 45.6 -66.8 -27.4 -23.4 -19.3 -2.6 227 286 A F H <4 S+ 0 0 0 -3,-1.8 -1,-0.2 2,-0.1 4,-0.1 0.895 114.3 48.2 -71.4 -46.5 -21.8 -16.4 -4.6 228 287 A M H >< S+ 0 0 6 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Y H >X S+ 0 0 83 -4,-1.2 3,-1.3 2,-0.2 4,-0.7 0.960 115.4 50.2 -69.8 -54.3 -24.1 -3.8 -0.4 239 298 A V H 3< S+ 0 0 2 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.724 110.1 50.4 -59.1 -26.3 -24.5 -6.6 -3.0 240 299 A E H 3< S+ 0 0 79 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.628 104.4 58.3 -88.3 -13.8 -27.3 -8.3 -0.9 241 300 A N H << S+ 0 0 131 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.544 84.4 101.9 -88.7 -10.8 -29.3 -5.0 -0.5 242 301 A R S < S- 0 0 73 -4,-0.7 -20,-0.0 -3,-0.2 -3,-0.0 -0.330 92.4 -76.8 -65.0 156.2 -29.6 -4.4 -4.3 243 302 A P - 0 0 49 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.212 47.1-116.0 -47.6 139.5 -33.0 -5.3 -6.0 244 303 A K - 0 0 191 -3,-0.1 2,-0.2 -23,-0.1 -4,-0.0 -0.628 43.0-173.3 -89.4 81.8 -33.3 -9.0 -6.5 245 304 A Y - 0 0 85 -2,-1.6 -23,-2.2 1,-0.1 3,-0.1 -0.524 25.4-153.8 -74.5 140.5 -33.4 -9.2 -10.3 246 305 A A - 0 0 101 -25,-0.2 -1,-0.1 -2,-0.2 3,-0.1 0.715 48.1-112.0 -79.6 -25.6 -34.1 -12.4 -12.2 247 306 A G - 0 0 22 -29,-0.2 -27,-0.2 1,-0.1 -28,-0.2 -0.077 15.6-101.8 99.5 151.5 -32.1 -11.3 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349 A S > - 0 0 44 1,-0.1 4,-3.1 -100,-0.1 5,-0.2 -0.625 23.6-106.7 -99.0 165.5 -12.8 -22.0 -19.0 288 350 A V H > S+ 0 0 11 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 120.9 51.0 -57.9 -46.8 -10.6 -21.1 -21.9 289 351 A D H > S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.944 113.5 44.9 -58.7 -46.0 -10.1 -24.7 -22.8 290 352 A D H 4 S+ 0 0 84 2,-0.2 4,-0.3 1,-0.2 -2,-0.2 0.913 111.3 52.6 -65.2 -41.3 -13.9 -25.3 -22.8 291 353 A A H >< S+ 0 0 0 -4,-3.1 3,-1.2 1,-0.2 6,-0.3 0.897 109.9 48.8 -59.1 -43.9 -14.6 -22.1 -24.7 292 354 A L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 110.7 52.8 -62.7 -30.7 -12.1 -23.2 -27.4 293 355 A Q T 3< S+ 0 0 123 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.422 84.6 114.6 -83.4 -2.0 -14.0 -26.6 -27.3 294 356 A H S X> S- 0 0 9 -3,-1.2 4,-4.2 -4,-0.3 3,-1.3 -0.475 77.4-120.8 -75.4 139.7 -17.4 -25.0 -27.9 295 357 A P H 3> S+ 0 0 69 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.822 112.3 56.1 -45.7 -39.1 -19.1 -25.8 -31.2 296 358 A Y H 34 S+ 0 0 4 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.825 123.8 23.1 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0.870 360.0 360.0 -43.3 360.0 -10.9 0.6 -44.0