==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-MAY-11 3RST . COMPND 2 MOLECULE: SIGNAL PEPTIDE PEPTIDASE SPPA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.E.NAM,M.PAETZEL . 1803 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 75955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1419 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 288 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 4.8 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 . 7 0.4 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 . 158 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 135 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 623 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.7 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 0 0 17 15 0 0 0 8 0 8 0 0 0 1 7 0 0 0 0 0 0 0 8 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 8 16 7 1 8 1 7 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 2 8 0 0 7 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 . 9 0 0 0 0 0 8 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 56 A P 0 0 88 0, 0.0 222,-0.4 0, 0.0 217,-0.0 0.000 360.0 360.0 360.0-166.3 -42.8 -16.6 28.4 2 57 A S + 0 0 88 220,-0.1 2,-0.3 2,-0.1 220,-0.1 0.189 360.0 117.6 -77.8 17.1 -40.2 -19.4 28.3 3 58 A S - 0 0 8 215,-0.1 220,-2.2 218,-0.1 2,-0.4 -0.688 52.3-152.6 -86.4 137.8 -42.9 -21.8 29.4 4 59 A K E -ab 39 223A 56 34,-3.1 36,-3.1 -2,-0.3 37,-0.9 -0.880 18.9-153.3-116.8 145.3 -43.7 -24.6 26.9 5 60 A I E -ab 41 224A 0 218,-2.6 220,-2.8 -2,-0.4 2,-0.5 -0.978 23.9-147.4-103.9 123.4 -46.6 -26.8 26.0 6 61 A A E -ab 42 225A 0 35,-2.6 37,-2.6 -2,-0.5 2,-0.5 -0.805 7.0-155.6 -92.1 128.3 -45.4 -30.1 24.6 7 62 A V E -ab 43 226A 9 218,-3.0 220,-0.6 -2,-0.5 2,-0.3 -0.914 13.7-177.5-106.4 125.0 -47.6 -31.7 21.9 8 63 A L E -a 44 0A 5 35,-2.6 37,-3.2 -2,-0.5 2,-0.4 -0.919 11.0-145.2-121.3 151.3 -47.3 -35.4 21.4 9 64 A E E -a 45 0A 58 -2,-0.3 2,-0.5 35,-0.2 37,-0.2 -0.951 18.5-172.5-125.3 133.4 -49.1 -37.6 18.9 10 65 A V E +a 46 0A 0 35,-2.6 37,-3.4 -2,-0.4 2,-0.5 -0.921 25.6 167.6-114.9 96.6 -50.5 -41.1 18.8 11 66 A S E +a 47 0A 27 -2,-0.5 9,-1.0 9,-0.4 37,-0.2 -0.969 47.5 0.9-110.4 127.2 -51.5 -41.7 15.1 12 67 A G S S- 0 0 10 35,-2.9 38,-0.4 -2,-0.5 2,-0.2 -0.468 108.5 -14.3 98.3-171.8 -52.4 -45.2 13.9 13 68 A T - 0 0 30 -2,-0.2 2,-1.1 35,-0.1 38,-0.3 -0.451 64.9-124.3 -68.8 132.5 -52.5 -48.5 15.6 14 69 A I B +h 51 0B 0 36,-3.0 38,-2.8 -2,-0.2 2,-0.3 -0.687 58.8 128.4 -83.1 99.9 -50.9 -48.7 19.1 15 70 A Q - 0 0 108 -2,-1.1 2,-0.7 36,-0.2 8,-0.6 -0.994 58.9-115.8-152.9 150.5 -48.3 -51.5 18.8 16 71 A D 0 0 50 -2,-0.3 6,-0.1 6,-0.1 -2,-0.0 -0.811 360.0 360.0 -92.7 114.4 -44.6 -52.2 19.5 17 72 A N 0 0 130 -2,-0.7 7,-0.1 4,-0.1 -2,-0.0 -0.801 360.0 360.0 -99.1 360.0 -42.7 -53.0 16.3 18 ! 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 19 82 A D 0 0 135 0, 0.0 -7,-0.2 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 -40.7 -49.9 -47.4 11.3 20 83 A G + 0 0 67 -9,-1.0 2,-0.4 -7,-0.1 -9,-0.4 -0.329 360.0 119.2-140.8 47.3 -47.8 -44.2 11.5 21 84 A Y - 0 0 31 -8,-0.1 2,-0.6 -11,-0.1 -4,-0.1 -0.971 44.9-172.1-131.1 126.2 -46.8 -45.1 15.0 22 85 A N > - 0 0 95 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 -0.931 9.4-164.5-117.4 104.1 -43.5 -45.8 16.6 23 86 A H H > S+ 0 0 2 -8,-0.6 4,-2.4 -2,-0.6 5,-0.2 0.884 87.8 46.3 -55.3 -45.5 -44.0 -47.1 20.2 24 87 A R H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 112.9 48.9 -69.9 -39.7 -40.5 -46.5 21.4 25 88 A T H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.927 111.0 52.1 -62.8 -43.4 -40.2 -43.0 19.9 26 89 A F H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.951 110.4 46.9 -56.5 -51.1 -43.5 -42.1 21.5 27 90 A L H X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.876 113.3 49.4 -59.8 -40.1 -42.3 -43.3 25.0 28 91 A K H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.923 111.2 48.4 -62.0 -47.4 -39.0 -41.4 24.6 29 92 A N H X S+ 0 0 27 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.888 111.0 52.5 -60.5 -36.9 -40.9 -38.3 23.5 30 93 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.932 109.7 47.6 -63.5 -46.2 -43.1 -38.8 26.5 31 94 A E H X S+ 0 0 109 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.880 109.4 54.4 -60.8 -41.2 -40.1 -39.1 28.8 32 95 A R H X S+ 0 0 152 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.917 109.1 47.2 -60.7 -44.2 -38.6 -36.0 27.3 33 96 A A H < S+ 0 0 0 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.900 111.2 52.9 -65.3 -39.0 -41.7 -34.0 28.0 34 97 A K H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.2 37.5 -56.8 -44.0 -41.8 -35.3 31.6 35 98 A D H < S+ 0 0 96 -4,-2.1 2,-0.8 -5,-0.1 -1,-0.2 0.431 88.5 97.7 -98.8 -5.4 -38.2 -34.3 32.3 36 99 A D >< - 0 0 54 -4,-1.1 3,-1.6 -3,-0.4 -4,-0.0 -0.797 58.6-158.4 -89.4 111.8 -37.9 -31.0 30.5 37 100 A K T 3 S+ 0 0 131 -2,-0.8 -1,-0.2 1,-0.3 -33,-0.1 0.726 90.1 62.0 -67.0 -21.1 -38.5 -28.3 33.2 38 101 A T T 3 S+ 0 0 35 -35,-0.1 -34,-3.1 -3,-0.1 2,-0.6 0.696 87.0 84.3 -74.5 -21.0 -39.4 -25.7 30.6 39 102 A V E < +a 4 0A 0 -3,-1.6 -34,-0.2 -36,-0.2 3,-0.1 -0.757 51.1 167.5 -82.8 119.9 -42.4 -27.9 29.5 40 103 A K E + 0 0 79 -36,-3.1 2,-0.3 -2,-0.6 -35,-0.2 0.417 60.7 20.9-118.5 2.5 -45.2 -27.1 31.9 41 104 A G E -a 5 0A 0 -37,-0.9 -35,-2.6 31,-0.2 2,-0.4 -0.962 64.4-143.3-164.6 155.7 -48.1 -28.8 30.2 42 105 A I E -ac 6 74A 0 31,-2.5 33,-2.6 -2,-0.3 2,-0.5 -0.987 4.0-164.4-131.2 131.9 -48.8 -31.5 27.7 43 106 A V E -ac 7 75A 0 -37,-2.6 -35,-2.6 -2,-0.4 2,-0.6 -0.978 11.4-159.8-111.5 124.4 -51.3 -31.9 24.9 44 107 A L E -ac 8 76A 0 31,-3.1 33,-2.8 -2,-0.5 2,-0.5 -0.930 3.2-156.7-104.2 114.8 -51.7 -35.4 23.5 45 108 A K E -ac 9 77A 33 -37,-3.2 -35,-2.6 -2,-0.6 2,-0.5 -0.848 13.5-165.1 -87.7 124.5 -53.3 -35.6 20.1 46 109 A V E +ac 10 78A 1 31,-2.1 33,-3.4 -2,-0.5 2,-0.2 -0.971 25.4 159.8-118.3 122.6 -54.8 -39.1 19.5 47 110 A N E +a 11 0A 35 -37,-3.4 -35,-2.9 -2,-0.5 35,-0.2 -0.753 37.2 127.6-136.2 87.3 -55.9 -40.5 16.1 48 111 A S E - c 0 82A 0 33,-1.7 35,-1.9 -2,-0.2 -35,-0.1 -1.000 55.8-151.9-150.8 135.2 -56.0 -44.2 16.7 49 112 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 36,-0.2 0.551 68.5 -97.3 -80.6 -9.7 -58.4 -47.1 16.2 50 113 A G - 0 0 5 -38,-0.4 -36,-3.0 34,-0.2 2,-0.3 -0.934 45.0-167.7 127.6-155.1 -56.7 -48.9 19.2 51 114 A G B +h 14 0B 34 -2,-0.3 -36,-0.2 -38,-0.3 34,-0.2 -0.985 46.1 1.4 159.3-153.7 -54.0 -51.5 19.5 52 115 A G > - 0 0 24 -38,-2.8 4,-1.9 -2,-0.3 5,-0.1 -0.352 50.4-138.7 -68.6 142.0 -52.4 -53.9 22.0 53 116 A V H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 104.7 54.1 -65.9 -42.0 -53.7 -53.9 25.5 54 117 A Y H > S+ 0 0 28 1637,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.942 109.3 46.4 -53.9 -51.0 -50.1 -54.1 26.9 55 118 A E H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.908 113.2 49.6 -63.0 -40.4 -49.0 -51.0 24.9 56 119 A S H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.915 112.5 46.5 -65.2 -44.7 -52.1 -49.0 26.0 57 120 A A H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.866 111.8 53.1 -64.1 -34.9 -51.6 -49.9 29.7 58 121 A E H X S+ 0 0 40 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.902 111.2 44.4 -66.8 -41.6 -48.0 -49.0 29.4 59 122 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.931 111.6 54.7 -67.6 -44.3 -48.7 -45.6 28.0 60 123 A H H X S+ 0 0 23 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.913 107.4 49.1 -54.0 -49.5 -51.4 -45.1 30.6 61 124 A K H X S+ 0 0 61 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.885 110.8 50.8 -60.6 -40.3 -49.0 -45.8 33.4 62 125 A K H X S+ 0 0 53 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.935 110.6 48.7 -61.7 -46.7 -46.4 -43.3 31.9 63 126 A L H X S+ 0 0 2 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.929 112.1 48.9 -59.2 -45.8 -49.1 -40.6 31.7 64 127 A E H X S+ 0 0 75 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.911 108.9 53.8 -58.5 -41.3 -50.1 -41.3 35.3 65 128 A E H X S+ 0 0 48 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.919 105.0 54.5 -62.1 -41.5 -46.4 -41.1 36.4 66 129 A I H X>S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.9 0.929 111.6 43.4 -56.2 -48.4 -46.1 -37.7 34.7 67 130 A K H X5S+ 0 0 42 -4,-1.8 4,-1.0 3,-0.2 -2,-0.2 0.914 117.7 45.9 -64.7 -43.3 -49.0 -36.3 36.7 68 131 A K H <5S+ 0 0 186 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.948 121.4 36.3 -63.1 -48.1 -47.9 -37.9 39.9 69 132 A E H <5S+ 0 0 108 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.793 137.4 11.4 -77.6 -35.7 -44.2 -36.9 39.6 70 133 A T H <5S- 0 0 49 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.574 81.3-135.4-125.8 -20.1 -44.5 -33.4 38.0 71 134 A K << + 0 0 128 -4,-1.0 -4,-0.2 -5,-0.9 -3,-0.1 0.682 46.7 156.5 62.0 20.7 -48.1 -32.3 38.2 72 135 A K - 0 0 22 -6,-0.6 -1,-0.2 -38,-0.1 -31,-0.2 -0.645 47.1-115.9 -72.9 130.8 -48.0 -31.1 34.6 73 136 A P - 0 0 12 0, 0.0 -31,-2.5 0, 0.0 2,-0.5 -0.430 26.0-154.0 -66.4 142.7 -51.6 -31.1 33.2 74 137 A I E -c 42 0A 0 -33,-0.2 20,-2.9 18,-0.1 21,-1.1 -0.982 11.8-175.3-122.9 116.4 -52.2 -33.5 30.4 75 138 A Y E -cd 43 95A 7 -33,-2.6 -31,-3.1 -2,-0.5 2,-0.5 -0.912 13.9-144.7-107.9 140.4 -55.0 -32.7 27.9 76 139 A V E -cd 44 96A 0 19,-2.7 21,-3.1 -2,-0.4 2,-0.6 -0.872 6.8-164.3-101.8 133.1 -56.1 -35.0 25.1 77 140 A S E -cd 45 97A 1 -33,-2.8 -31,-2.1 -2,-0.5 2,-0.3 -0.958 16.9-149.5-110.8 108.4 -57.2 -33.7 21.8 78 141 A M E -c 46 0A 0 19,-3.0 -31,-0.2 -2,-0.6 21,-0.2 -0.615 12.5-163.6 -77.5 134.3 -59.0 -36.6 19.9 79 142 A G E - 0 0 7 -33,-3.4 20,-0.3 2,-0.6 24,-0.2 0.223 57.7 -43.8 -89.8-144.2 -58.7 -36.5 16.1 80 143 A S E S+ 0 0 34 22,-0.2 23,-2.4 1,-0.1 2,-0.3 0.802 130.1 22.3 -54.9 -31.6 -60.9 -38.4 13.6 81 144 A M E + e 0 103A 58 21,-0.2 -33,-1.7 -35,-0.2 -2,-0.6 -1.000 48.6 154.8-144.8 138.0 -60.5 -41.5 15.8 82 145 A A E +ce 48 104A 0 21,-2.8 23,-0.6 -2,-0.3 2,-0.3 -0.375 35.1 147.5-158.3 71.1 -59.8 -42.4 19.4 83 146 A A E > - e 0 105A 2 -35,-1.9 3,-2.4 21,-0.2 23,-0.2 -0.738 55.8 -17.8-112.4 152.6 -61.4 -45.8 20.0 84 147 A S T >> S+ 0 0 29 21,-3.1 4,-2.9 1,-0.3 3,-1.2 -0.289 139.5 13.3 60.6-124.4 -60.6 -48.8 22.2 85 148 A G H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.792 129.3 57.8 -53.5 -30.7 -56.8 -48.5 23.2 86 149 A G H <> S+ 0 0 0 -3,-2.4 4,-0.8 2,-0.2 -1,-0.3 0.814 111.5 41.5 -69.0 -32.7 -56.9 -44.9 21.9 87 150 A Y H <> S+ 0 0 0 -3,-1.2 4,-1.3 18,-0.3 -2,-0.2 0.888 109.9 59.4 -75.0 -42.5 -59.7 -44.2 24.4 88 151 A Y H >< S+ 0 0 21 -4,-2.9 3,-0.7 1,-0.2 4,-0.2 0.914 107.0 45.1 -51.3 -50.4 -58.0 -46.3 27.1 89 152 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.833 106.4 62.4 -66.1 -31.0 -54.8 -44.1 27.1 90 153 A S H >< S+ 0 0 0 -4,-0.8 3,-2.7 1,-0.3 -1,-0.2 0.786 83.8 75.7 -65.8 -29.1 -57.0 -40.9 27.1 91 154 A T T << S+ 0 0 1 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.664 85.9 65.2 -57.7 -16.8 -58.5 -41.7 30.4 92 155 A A T < S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.557 82.9 104.2 -82.6 -6.5 -55.2 -40.6 32.0 93 156 A A S < S- 0 0 6 -3,-2.7 -18,-0.2 1,-0.1 3,-0.2 -0.392 71.4-140.7 -72.3 148.1 -55.9 -37.1 30.8 94 157 A D S S+ 0 0 78 -20,-2.9 2,-0.3 1,-0.3 -19,-0.2 0.852 95.7 16.4 -70.6 -37.0 -57.0 -34.3 33.2 95 158 A K E S-d 75 0A 54 -21,-1.1 -19,-2.7 -5,-0.1 2,-0.5 -0.997 70.6-154.0-139.1 136.5 -59.2 -33.2 30.3 96 159 A I E -d 76 0A 0 -2,-0.3 104,-2.0 -21,-0.2 105,-1.7 -0.938 9.4-168.2-110.1 123.2 -60.4 -34.9 27.1 97 160 A F E +df 77 201A 9 -21,-3.1 -19,-3.0 -2,-0.5 2,-0.3 -0.876 13.9 163.1-103.8 137.4 -61.4 -32.9 24.0 98 161 A A E - f 0 202A 0 103,-2.0 105,-2.3 -2,-0.4 -19,-0.1 -0.932 30.0-124.6-140.2 166.9 -63.2 -34.5 21.0 99 162 A T > - 0 0 0 -20,-0.3 3,-1.7 -2,-0.3 91,-0.5 -0.735 30.4-109.9-107.0 161.8 -65.2 -33.2 18.1 100 163 A P T 3 S+ 0 0 25 0, 0.0 90,-0.8 0, 0.0 91,-0.6 0.842 124.0 53.6 -57.0 -27.5 -68.7 -34.1 17.1 101 164 A E T 3 S+ 0 0 34 88,-0.2 179,-0.3 89,-0.1 2,-0.2 0.535 84.3 113.0 -85.3 -7.5 -67.0 -35.8 14.2 102 165 A T < - 0 0 1 -3,-1.7 88,-1.0 -24,-0.1 2,-0.7 -0.448 60.8-143.5 -67.1 134.6 -64.6 -37.8 16.4 103 166 A L E +eG 81 189A 35 -23,-2.4 -21,-2.8 -24,-0.2 86,-0.2 -0.902 41.7 142.4 -98.9 115.1 -65.2 -41.6 16.4 104 167 A T E +eG 82 188A 0 84,-3.5 84,-2.4 -2,-0.7 2,-0.4 -0.504 22.3 67.7-136.3-160.0 -64.5 -42.9 19.9 105 168 A G E +eG 83 187A 0 -23,-0.6 -21,-3.1 82,-0.3 82,-0.3 -0.653 28.5 147.4 79.7-133.4 -65.8 -45.5 22.4 106 169 A S - 0 0 20 80,-2.5 2,-1.9 -2,-0.4 81,-0.2 0.949 29.9-176.7 54.1 56.0 -65.3 -49.1 21.4 107 170 A L + 0 0 1 79,-0.8 78,-0.4 75,-0.3 2,-0.3 -0.567 41.7 86.1 -88.2 78.3 -64.9 -49.9 25.1 108 171 A G - 0 0 4 -2,-1.9 2,-0.4 77,-0.2 76,-0.1 -0.936 66.0-123.2-161.3 179.0 -64.1 -53.5 24.8 109 172 A V + 0 0 15 -2,-0.3 249,-1.9 -25,-0.1 2,-0.3 -0.992 25.3 179.7-138.8 137.2 -61.5 -56.2 24.3 110 173 A I E -I 357 0C 65 -2,-0.4 2,-0.3 247,-0.2 247,-0.2 -0.952 17.1-162.1-135.4 158.2 -61.4 -58.8 21.6 111 174 A M E -I 356 0C 56 245,-2.1 245,-2.1 -2,-0.3 2,-0.5 -0.903 18.7-149.9-140.6 112.0 -59.1 -61.7 20.6 112 175 A E E -I 355 0C 105 -2,-0.3 2,-0.3 243,-0.2 243,-0.2 -0.726 14.3-173.4 -92.3 122.5 -59.5 -63.0 17.1 113 176 A S E -I 354 0C 15 241,-1.9 241,-2.0 -2,-0.5 2,-0.4 -0.767 9.0-149.8-108.6 158.0 -58.8 -66.6 16.3 114 177 A V E -I 353 0C 54 25,-0.3 2,-0.4 -2,-0.3 239,-0.2 -0.960 8.0-168.1-129.9 143.2 -58.7 -68.4 13.0 115 178 A N E +I 352 0C 13 237,-2.3 237,-2.5 -2,-0.4 3,-0.3 -0.865 16.3 163.3-132.5 97.1 -59.5 -72.0 12.1 116 179 A Y > + 0 0 81 25,-2.7 4,-2.4 -2,-0.4 5,-0.2 0.156 41.7 114.7 -97.7 19.7 -58.4 -73.0 8.6 117 180 A S H > S+ 0 0 32 24,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.856 74.0 51.0 -58.5 -40.6 -58.6 -76.7 9.3 118 181 A K H > S+ 0 0 107 232,-0.7 4,-2.2 -3,-0.3 -1,-0.2 0.908 110.1 49.2 -66.2 -43.1 -61.5 -77.4 6.8 119 182 A L H > S+ 0 0 46 231,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.924 111.1 50.7 -57.5 -47.1 -59.6 -75.6 4.0 120 183 A A H X>S+ 0 0 8 -4,-2.4 5,-2.6 230,-0.2 4,-0.8 0.916 108.7 50.9 -57.8 -46.6 -56.5 -77.7 4.8 121 184 A D H ><5S+ 0 0 121 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.897 109.7 51.1 -58.1 -42.2 -58.6 -80.9 4.7 122 185 A K H 3<5S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 112.4 47.0 -62.4 -33.2 -60.0 -79.8 1.3 123 186 A L H 3<5S- 0 0 81 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.517 115.9-111.6 -88.4 -7.4 -56.4 -79.2 0.0 124 187 A G T <<5S+ 0 0 2 -4,-0.8 1585,-1.7 -3,-0.7 1584,-0.7 0.719 70.3 139.5 80.9 24.2 -54.9 -82.5 1.3 125 188 A I < - 0 0 45 -5,-2.6 2,-0.4 1583,-0.2 -1,-0.2 -0.894 32.9-165.3-106.0 116.5 -52.8 -80.8 4.0 126 189 A S E -J 1705 0D 33 1579,-2.8 1579,-2.8 -2,-0.6 2,-0.5 -0.823 7.2-157.9-104.6 139.6 -52.6 -82.6 7.3 127 190 A F E -J 1704 0D 62 -2,-0.4 2,-0.5 1577,-0.2 1577,-0.2 -0.946 5.8-170.0-111.7 131.1 -51.3 -81.2 10.5 128 191 A E E -J 1703 0D 71 1575,-3.1 1575,-2.4 -2,-0.5 2,-0.6 -0.967 5.8-167.5-124.3 111.2 -50.1 -83.6 13.2 129 192 A T E -J 1702 0D 30 -2,-0.5 2,-0.6 1573,-0.2 1573,-0.2 -0.887 6.9-164.0-101.1 119.8 -49.4 -81.9 16.6 130 193 A I E +J 1701 0D 3 1571,-2.7 1571,-1.7 -2,-0.6 2,-0.3 -0.924 25.7 172.8-100.5 119.0 -47.6 -83.9 19.2 131 194 A K E -J 1700 0D 53 -2,-0.6 1569,-0.2 1569,-0.2 1617,-0.1 -0.889 43.2-136.8-132.7 157.6 -48.1 -82.1 22.5 132 195 A S S S+ 0 0 23 1567,-1.6 2,-0.3 -2,-0.3 1568,-0.1 0.648 91.0 15.1 -83.7 -20.0 -47.4 -82.5 26.2 133 196 A G S > S- 0 0 16 1566,-0.2 3,-1.9 1641,-0.1 4,-0.2 -0.980 82.6-102.8-159.2 159.6 -50.8 -81.3 27.3 134 197 A A T 3 S+ 0 0 62 -2,-0.3 3,-0.3 1,-0.3 1641,-0.1 0.753 119.0 38.3 -64.8 -29.0 -54.3 -80.6 25.9 135 198 A H T > S+ 0 0 22 1639,-2.0 3,-1.7 1,-0.2 -1,-0.3 0.204 80.3 108.0-106.7 14.2 -53.9 -76.9 25.7 136 199 A A T < S+ 0 0 10 -3,-1.9 -1,-0.2 1638,-0.4 -2,-0.1 0.696 92.0 34.8 -65.1 -19.5 -50.2 -76.7 24.7 137 200 A D T > S+ 0 0 10 -3,-0.3 3,-1.9 -4,-0.2 -1,-0.3 -0.039 85.7 158.1-122.0 26.7 -51.3 -75.6 21.2 138 201 A I T < + 0 0 18 -3,-1.7 -3,-0.1 1,-0.3 7,-0.1 -0.200 67.3 26.9 -52.5 144.5 -54.4 -73.5 22.3 139 202 A M T 3 S+ 0 0 54 1,-0.3 -25,-0.3 4,-0.0 -1,-0.3 0.474 85.1 162.6 73.7 3.7 -55.4 -70.9 19.6 140 203 A S X - 0 0 12 -3,-1.9 3,-1.0 1,-0.2 -1,-0.3 -0.336 36.7-148.4 -54.6 127.0 -53.9 -73.2 16.9 141 204 A P T 3 S+ 0 0 43 0, 0.0 -25,-2.7 0, 0.0 -24,-0.3 0.550 90.1 68.8 -74.2 -4.6 -55.2 -72.1 13.6 142 205 A S T 3 S+ 0 0 18 -27,-0.2 2,-0.3 -26,-0.2 -15,-0.2 0.324 103.3 32.4 -99.1 3.9 -55.0 -75.7 12.3 143 206 A R S < S- 0 0 51 -3,-1.0 2,-0.2 -26,-0.0 -26,-0.1 -0.955 91.8 -82.1-150.9 166.8 -57.8 -77.2 14.5 144 207 A E - 0 0 59 -2,-0.3 2,-0.4 -29,-0.1 -4,-0.1 -0.531 42.0-121.5 -74.1 138.6 -61.1 -76.4 16.1 145 208 A M - 0 0 23 -2,-0.2 2,-0.1 -6,-0.1 -1,-0.1 -0.654 30.7-130.4 -75.9 131.4 -61.0 -74.5 19.4 146 209 A T > - 0 0 55 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.369 19.7-109.5 -78.7 163.9 -62.8 -76.5 22.1 147 210 A K H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.903 121.0 52.8 -57.3 -42.8 -65.5 -75.1 24.4 148 211 A E H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 107.2 52.0 -60.7 -41.2 -63.1 -75.3 27.4 149 212 A E H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.833 105.3 55.5 -65.1 -32.0 -60.4 -73.3 25.4 150 213 A K H X S+ 0 0 49 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.877 108.2 48.9 -64.3 -41.3 -63.0 -70.6 24.7 151 214 A N H X S+ 0 0 94 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.907 109.1 51.7 -64.7 -45.7 -63.6 -70.3 28.4 152 215 A I H X S+ 0 0 14 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.936 116.0 40.9 -55.0 -49.5 -59.9 -70.1 29.1 153 216 A M H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.882 111.7 57.4 -69.2 -36.3 -59.6 -67.3 26.5 154 217 A Q H X S+ 0 0 60 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.899 103.5 53.5 -58.4 -42.2 -62.9 -65.7 27.7 155 218 A S H X S+ 0 0 43 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.857 109.9 46.2 -65.4 -37.7 -61.5 -65.3 31.3 156 219 A M H X S+ 0 0 8 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.873 112.8 50.2 -72.0 -36.7 -58.3 -63.5 30.1 157 220 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.908 110.5 51.1 -64.1 -41.3 -60.5 -61.3 27.8 158 221 A D H X S+ 0 0 66 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.902 107.2 53.0 -61.7 -43.6 -62.7 -60.6 30.9 159 222 A N H X S+ 0 0 54 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.895 110.9 46.1 -59.6 -42.0 -59.7 -59.7 33.0 160 223 A S H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.858 110.2 54.5 -67.9 -37.9 -58.5 -57.1 30.4 161 224 A Y H X S+ 0 0 23 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.923 107.0 50.3 -58.4 -47.1 -62.0 -55.7 30.1 162 225 A E H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.853 109.4 51.1 -58.8 -39.0 -62.1 -55.2 33.9 163 226 A G H X S+ 0 0 10 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.901 111.4 48.4 -64.0 -41.7 -58.8 -53.3 33.7 164 227 A F H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.938 111.2 49.6 -60.7 -49.1 -60.3 -51.2 30.9 165 228 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.909 109.3 54.6 -57.4 -42.1 -63.4 -50.5 33.1 166 229 A D H X S+ 0 0 42 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.921 107.5 46.6 -59.7 -49.0 -61.1 -49.6 36.0 167 230 A V H X S+ 0 0 14 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.892 113.5 49.9 -65.2 -35.6 -59.2 -46.9 34.1 168 231 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.937 112.0 48.7 -64.0 -46.6 -62.4 -45.4 32.7 169 232 A S H X>S+ 0 0 19 -4,-2.8 5,-1.6 -5,-0.2 4,-1.1 0.931 117.1 39.4 -59.9 -49.1 -63.9 -45.4 36.2 170 233 A K H <5S+ 0 0 145 -4,-2.5 -2,-0.2 3,-0.2 -1,-0.2 0.937 120.5 44.0 -66.2 -47.3 -60.9 -43.7 37.9 171 234 A G H <5S+ 0 0 28 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.746 123.2 35.2 -74.8 -27.6 -60.2 -41.3 35.0 172 235 A R H <5S- 0 0 19 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.489 103.5-124.3-101.9 -6.2 -63.8 -40.2 34.4 173 236 A G T <5 + 0 0 67 -4,-1.1 -3,-0.2 -5,-0.3 -4,-0.1 0.925 63.6 142.3 64.5 45.0 -64.9 -40.4 38.0 174 237 A M < - 0 0 19 -5,-1.6 -1,-0.2 -6,-0.3 -2,-0.1 -0.951 56.9-108.9-123.9 131.8 -67.7 -42.8 37.0 175 238 A P > - 0 0 86 0, 0.0 4,-1.9 0, 0.0 3,-0.3 -0.296 29.7-120.2 -57.2 147.8 -68.9 -45.8 39.1 176 239 A K H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 111.3 56.4 -56.1 -48.2 -68.0 -49.2 37.6 177 240 A A H > S+ 0 0 63 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 110.1 46.4 -50.8 -42.2 -71.6 -50.3 37.1 178 241 A E H > S+ 0 0 86 -3,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.846 109.7 53.0 -74.3 -36.9 -72.3 -47.2 35.0 179 242 A V H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.926 105.9 56.1 -57.7 -45.3 -69.1 -47.7 33.0 180 243 A K H 3< S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.826 100.6 57.0 -60.6 -36.6 -70.2 -51.3 32.2 181 244 A K H 3< S+ 0 0 139 -4,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.814 116.2 34.8 -63.9 -35.8 -73.6 -50.2 30.8 182 245 A I H << S+ 0 0 26 -4,-1.0 2,-0.9 -3,-0.6 3,-0.3 0.592 105.7 76.5 -94.8 -13.0 -72.0 -47.9 28.1 183 246 A A < + 0 0 2 -4,-1.6 -1,-0.2 1,-0.2 179,-0.1 -0.504 49.7 121.1 -96.3 62.6 -69.0 -50.3 27.8 184 247 A D S S- 0 0 34 -2,-0.9 177,-1.9 -3,-0.2 178,-0.4 0.325 93.0 -96.9 -98.6 0.8 -70.7 -53.0 25.6 185 248 A G S S+ 0 0 0 -78,-0.4 179,-0.2 1,-0.3 -77,-0.2 0.219 79.1 137.8 108.5 -13.1 -68.1 -52.4 22.9 186 249 A R - 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0 0 4 -5,-1.5 -1,-0.3 -6,-0.3 -2,-0.1 -0.937 56.4-109.8-121.6 130.7 -11.6 -103.2 -20.7 1309 238 F P > - 0 0 87 0, 0.0 4,-2.1 0, 0.0 3,-0.5 -0.265 30.6-117.6 -58.1 149.4 -13.0 -105.0 -23.8 1310 239 F K H > S+ 0 0 91 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.830 113.4 57.4 -60.9 -34.4 -16.0 -103.2 -25.3 1311 240 F A H > S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.887 108.5 46.5 -64.0 -40.0 -18.3 -106.2 -24.6 1312 241 F E H > S+ 0 0 94 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.877 111.0 52.4 -69.8 -36.9 -17.4 -106.0 -20.9 1313 242 F V H >X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 3,-0.7 0.968 108.2 51.6 -60.2 -48.9 -18.0 -102.2 -20.9 1314 243 F K H 3< S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 103.0 58.1 -60.9 -34.5 -21.4 -102.6 -22.5 1315 244 F K H 3< S+ 0 0 76 -4,-1.4 -1,-0.3 1,-0.2 3,-0.2 0.869 117.0 33.4 -63.1 -36.9 -22.6 -105.1 -19.9 1316 245 F I H << S+ 0 0 17 -4,-1.2 2,-0.9 -3,-0.7 -75,-0.3 0.625 105.5 75.2 -94.5 -15.0 -21.9 -102.7 -17.0 1317 246 F A < + 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -18,-0.1 -0.489 49.1 124.1 -94.4 60.9 -22.9 -99.5 -19.0 1318 247 F D S S- 0 0 34 -2,-0.9 179,-2.2 -3,-0.2 180,-0.4 0.265 92.1 -98.9 -92.0 6.4 -26.7 -100.1 -19.0 1319 248 F G S S+ 0 0 0 -78,-0.5 181,-0.2 1,-0.3 -77,-0.2 0.225 78.9 138.2 98.7 -13.2 -26.8 -96.6 -17.4 1320 249 F R - 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0 0 59 -4,-1.2 3,-1.6 -5,-0.2 4,-0.7 -0.933 58.6-159.1-138.9 116.2 -30.3 -55.0 47.4 1807 280 H K G >4 S+ 0 0 194 -2,-0.4 3,-0.7 1,-0.3 4,-0.3 0.819 91.8 52.2 -64.8 -38.7 -28.1 -52.6 49.2 1808 281 H D G 34 S+ 0 0 89 1,-0.2 -1,-0.3 2,-0.1 -178,-0.1 0.478 106.6 56.2 -80.0 0.9 -25.1 -52.5 46.8 1809 282 H L G X4 S+ 0 0 0 -3,-1.6 3,-2.0 -7,-0.2 -1,-0.2 0.593 76.1 95.6-103.1 -15.2 -27.4 -51.7 43.8 1810 283 H K T << S+ 0 0 126 -3,-0.7 -2,-0.1 -4,-0.7 -1,-0.1 0.804 99.1 28.2 -44.9 -44.7 -29.1 -48.5 45.2 1811 284 H N T 3 S+ 0 0 148 -4,-0.3 -1,-0.3 -3,-0.1 -217,-0.1 0.234 94.5 128.8-105.9 11.1 -26.7 -46.2 43.4 1812 285 H A < - 0 0 5 -3,-2.0 -217,-0.3 -219,-0.1 2,-0.2 -0.407 58.6-124.3 -66.3 137.3 -26.0 -48.5 40.5 1813 286 H S E -o 1595 0X 51 -219,-2.2 -217,-3.1 -2,-0.1 2,-0.6 -0.543 21.5-124.8 -75.4 151.7 -26.4 -47.2 37.0 1814 287 H V E -o 1596 0X 66 -219,-0.2 2,-0.4 -2,-0.2 -217,-0.2 -0.908 36.1-177.2-106.2 115.7 -28.7 -49.1 34.7 1815 288 H I E -o 1597 0X 50 -219,-2.6 -217,-2.9 -2,-0.6 2,-0.3 -0.943 19.2-152.7-125.7 137.8 -27.0 -50.2 31.5 1816 289 H S E -o 1598 0X 87 -2,-0.4 -217,-0.2 -219,-0.2 -219,-0.0 -0.754 18.2-138.3 -97.3 149.7 -28.0 -52.0 28.3 1817 290 H Y 0 0 27 -219,-0.8 -218,-0.1 -2,-0.3 -198,-0.1 -0.173 360.0 360.0 -94.9 40.6 -25.5 -54.1 26.2 1818 291 H E 0 0 141 -219,-0.0 -1,-0.1 0, 0.0 -219,-0.0 0.439 360.0 360.0-148.9 360.0 -27.0 -52.6 23.0