==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 21-JUN-02 1M21 . COMPND 2 MOLECULE: PEPTIDE AMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STENOTROPHOMONAS MALTOPHILIA; . AUTHOR J.LABAHN,S.NEUMANN,G.BULDT,M.-R.KULA,J.GRANZIN . 982 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 8.6 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 40 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 280 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 2.9 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 2 0 4 4 4 2 2 2 0 2 4 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 4 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 . 6 4 4 2 2 0 0 2 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 . 2 0 0 0 0 0 0 0 0 2 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 43 A F > 0 0 84 0, 0.0 3,-1.6 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 118.9 11.9 27.4 68.7 2 44 A P T 3 + 0 0 97 0, 0.0 26,-0.0 0, 0.0 0, 0.0 0.683 360.0 42.1 -59.4 -21.8 13.3 28.1 72.2 3 45 A Y T > S+ 0 0 31 168,-0.1 3,-1.6 22,-0.1 2,-0.1 0.229 80.6 138.4-112.2 12.3 13.2 24.4 73.2 4 46 A A T < S- 0 0 39 -3,-1.6 3,-0.1 1,-0.3 166,-0.0 -0.357 80.5 -3.4 -61.7 133.6 14.5 22.9 69.9 5 47 A E T 3 S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.713 93.4 148.7 57.1 25.0 17.0 20.1 70.5 6 48 A T < - 0 0 13 -3,-1.6 -1,-0.2 1,-0.0 218,-0.1 -0.804 44.5-125.5 -94.2 126.6 16.9 20.5 74.2 7 49 A D > - 0 0 44 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.237 17.8-114.8 -68.2 155.4 17.4 17.4 76.3 8 50 A V H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.911 117.5 52.0 -54.8 -47.0 15.0 16.1 78.9 9 51 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.860 110.2 49.3 -60.4 -36.5 17.6 16.6 81.7 10 52 A D H > S+ 0 0 77 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.898 111.5 47.8 -69.9 -41.4 18.2 20.2 80.5 11 53 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.906 113.1 49.3 -64.7 -41.0 14.4 21.0 80.4 12 54 A Q H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.902 109.5 51.6 -64.7 -41.2 14.1 19.5 83.9 13 55 A A H X S+ 0 0 58 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.902 110.1 49.9 -62.7 -40.2 17.0 21.5 85.1 14 56 A R H <>S+ 0 0 98 -4,-2.1 5,-2.6 2,-0.2 6,-0.7 0.907 113.1 44.7 -64.9 -44.1 15.4 24.7 83.8 15 57 A M H ><5S+ 0 0 2 -4,-2.3 3,-0.8 4,-0.2 -2,-0.2 0.865 111.8 53.5 -68.1 -35.8 12.1 23.9 85.4 16 58 A T H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.804 107.5 50.7 -68.6 -29.8 13.8 23.0 88.7 17 59 A A T 3<5S- 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.519 117.4-116.1 -84.5 -6.7 15.6 26.4 88.6 18 60 A G T < 5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.721 86.6 114.6 79.4 22.4 12.3 28.1 88.1 19 61 A E S - 0 0 54 -2,-0.3 4,-2.0 -3,-0.1 3,-0.2 -0.858 31.8-110.5-123.5 163.4 7.3 25.7 83.9 22 64 A S H > S+ 0 0 0 -2,-0.3 4,-3.1 35,-0.2 5,-0.2 0.862 113.9 55.0 -59.0 -40.1 5.3 22.7 82.5 23 65 A T H > S+ 0 0 30 34,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.896 108.9 48.1 -63.1 -39.0 2.4 24.8 81.2 24 66 A T H > S+ 0 0 62 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.940 115.5 44.0 -65.8 -47.0 4.8 27.1 79.2 25 67 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.926 115.4 49.0 -63.0 -45.5 6.6 24.1 77.7 26 68 A T H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.927 112.4 46.3 -62.4 -46.3 3.4 22.3 77.0 27 69 A Q H X S+ 0 0 105 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.833 108.8 57.6 -67.8 -28.9 1.7 25.3 75.3 28 70 A A H X S+ 0 0 20 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.932 108.6 44.9 -65.3 -45.9 4.8 25.9 73.3 29 71 A Y H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.899 111.6 53.0 -64.9 -39.7 4.7 22.4 71.8 30 72 A L H X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.890 108.9 49.4 -63.7 -37.7 1.0 22.7 71.2 31 73 A Q H X S+ 0 0 151 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.875 112.2 48.3 -68.9 -35.6 1.5 25.9 69.3 32 74 A R H X S+ 0 0 52 -4,-1.8 4,-2.0 2,-0.2 5,-0.5 0.883 108.4 53.8 -71.3 -37.7 4.2 24.3 67.2 33 75 A I H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-1.4 0.922 108.7 50.3 -61.3 -42.5 2.0 21.2 66.5 34 76 A A H <>S+ 0 0 30 -4,-2.1 5,-0.8 1,-0.2 -1,-0.2 0.890 114.1 44.8 -62.7 -39.1 -0.6 23.6 65.2 35 77 A A H <5S+ 0 0 53 -4,-1.7 -1,-0.2 3,-0.1 7,-0.2 0.725 128.9 20.1 -79.7 -24.3 1.9 25.4 62.9 36 78 A L H <5S+ 0 0 20 -4,-2.0 7,-2.4 4,-0.2 -3,-0.2 0.670 126.3 42.4-118.0 -26.4 3.7 22.4 61.4 37 79 A D T <5S+ 0 0 4 -4,-2.2 7,-1.7 -5,-0.5 -3,-0.2 0.887 126.5 25.1 -90.8 -45.0 1.4 19.4 61.9 38 80 A R T - 0 0 7 70,-3.0 3,-2.0 -2,-0.3 4,-0.3 -0.704 19.0-153.8 -80.0 113.7 -5.1 15.4 74.7 51 93 A P T 3 S+ 0 0 92 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.780 95.2 50.3 -59.0 -24.7 -7.9 17.8 75.8 52 94 A D T 3> S+ 0 0 57 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.245 76.4 106.7 -98.1 12.6 -6.5 17.6 79.3 53 95 A A H <> S+ 0 0 2 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.927 83.8 43.9 -56.2 -49.2 -2.8 18.3 78.4 54 96 A L H > S+ 0 0 76 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.887 112.9 52.5 -64.3 -39.3 -2.9 21.9 79.8 55 97 A K H > S+ 0 0 141 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.916 111.2 47.3 -61.7 -44.0 -4.8 20.7 82.9 56 98 A E H X S+ 0 0 23 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.933 112.0 48.8 -63.1 -48.4 -2.1 18.0 83.5 57 99 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -34,-0.3 0.905 110.9 51.4 -59.1 -42.1 0.8 20.5 83.0 58 100 A A H X S+ 0 0 20 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.869 109.2 50.2 -63.9 -36.7 -0.9 22.9 85.4 59 101 A E H X S+ 0 0 64 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.891 108.6 51.7 -69.7 -39.1 -1.2 20.2 88.0 60 102 A R H X S+ 0 0 29 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.853 110.1 50.2 -65.2 -33.9 2.4 19.2 87.7 61 103 A D H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.904 109.0 50.3 -71.3 -39.7 3.4 22.9 88.2 62 104 A R H X S+ 0 0 108 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.901 110.4 50.6 -63.5 -39.3 1.2 23.2 91.3 63 105 A E H <>S+ 0 0 9 -4,-2.2 5,-3.2 1,-0.2 -1,-0.2 0.892 110.2 50.0 -65.0 -39.0 2.9 20.0 92.7 64 106 A R H ><5S+ 0 0 39 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.902 109.0 50.6 -65.9 -41.8 6.3 21.5 91.9 65 107 A R H 3<5S+ 0 0 176 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.746 111.0 50.5 -67.7 -21.9 5.4 24.8 93.7 66 108 A D T 3<5S- 0 0 113 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.413 120.4-112.2 -93.7 -1.6 4.3 22.6 96.6 67 109 A G T < 5S+ 0 0 63 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.2 0.812 77.2 128.3 76.0 31.8 7.5 20.7 96.6 68 110 A R < + 0 0 144 -5,-3.2 2,-0.2 -8,-0.1 -1,-0.1 -0.581 32.8 176.1-119.1 69.2 6.2 17.4 95.5 69 111 A L - 0 0 89 -2,-0.4 47,-0.1 -5,-0.2 -9,-0.0 -0.502 22.2-157.3 -76.6 139.9 8.3 16.4 92.5 70 112 A R - 0 0 102 1,-0.3 -1,-0.1 -2,-0.2 46,-0.1 0.624 52.3 -87.6 -91.6 -15.8 7.7 12.9 90.9 71 113 A G > - 0 0 28 1,-0.1 3,-1.9 45,-0.1 -1,-0.3 -0.932 69.2 -25.3 143.4-167.2 11.1 12.5 89.3 72 114 A P T 3 S+ 0 0 98 0, 0.0 -60,-0.1 0, 0.0 -1,-0.1 0.709 131.1 47.2 -53.8 -28.2 13.3 13.2 86.2 73 115 A L T > S+ 0 0 6 42,-0.4 3,-2.4 158,-0.1 2,-0.2 0.320 75.7 141.7-100.5 8.4 10.2 13.4 83.9 74 116 A H T < S- 0 0 0 -3,-1.9 43,-0.2 1,-0.3 42,-0.2 -0.316 82.4 -2.4 -56.3 113.3 8.1 15.7 86.1 75 117 A G T 3 S+ 0 0 0 41,-3.1 -1,-0.3 1,-0.3 42,-0.2 0.491 94.2 141.7 84.6 4.0 6.3 18.1 83.8 76 118 A I < - 0 0 1 -3,-2.4 42,-2.6 40,-0.1 2,-0.3 -0.698 46.3-135.3 -84.3 122.6 7.9 16.8 80.6 77 119 A P E +b 118 0A 0 0, 0.0 97,-1.8 0, 0.0 98,-0.9 -0.594 31.4 169.5 -79.8 134.7 5.5 16.6 77.6 78 120 A L E -bc 119 175A 1 40,-2.8 42,-2.8 -2,-0.3 43,-0.7 -0.901 25.6-130.0-140.5 167.4 5.4 13.5 75.4 79 121 A L E -bc 121 176A 0 96,-1.6 98,-1.9 -2,-0.3 2,-0.4 -0.893 14.8-147.3-120.5 152.0 3.4 11.8 72.7 80 122 A L E -bc 122 177A 0 41,-2.0 43,-2.4 -2,-0.3 98,-0.1 -0.966 23.8-111.5-123.7 133.8 2.1 8.3 72.4 81 123 A K E > -b 123 0A 0 96,-1.7 3,-1.8 -2,-0.4 2,-0.3 -0.291 38.9-113.2 -56.0 142.3 1.6 6.1 69.3 82 124 A D T 3 S+ 0 0 0 41,-2.0 11,-2.4 1,-0.3 12,-0.3 0.180 109.5 68.3 -72.5 21.1 -2.1 5.6 68.7 83 125 A N T 3 S+ 0 0 4 -2,-0.3 127,-3.2 9,-0.2 2,-0.5 0.319 82.8 90.6-112.2 4.0 -2.2 1.9 69.4 84 126 A I B < S-K 209 0B 0 -3,-1.8 125,-0.2 125,-0.2 2,-0.1 -0.882 84.3-119.0-103.2 123.0 -1.4 2.6 73.1 85 127 A N + 0 0 0 123,-3.3 21,-2.3 -2,-0.5 2,-0.2 -0.362 44.1 158.9 -61.5 131.8 -4.5 3.1 75.4 86 128 A A > - 0 0 0 3,-0.4 3,-1.3 17,-0.3 18,-0.1 -0.736 34.4-104.6-160.8 106.0 -4.5 6.5 77.1 87 129 A A T 3 S+ 0 0 27 1,-0.3 3,-0.1 -2,-0.2 17,-0.1 -0.394 92.9 18.8 -72.0 151.3 -7.6 8.2 78.5 88 130 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.899 111.2 77.9 -95.3 21.1 -9.4 10.4 77.7 89 131 A M S < S- 0 0 0 -3,-1.3 -3,-0.4 1,-0.1 2,-0.1 -0.418 84.1-103.5 -84.4 162.1 -8.3 10.1 74.1 90 132 A A - 0 0 1 12,-0.1 2,-0.5 9,-0.1 12,-0.3 -0.427 20.3-145.7 -79.9 160.6 -9.5 7.5 71.7 91 133 A T + 0 0 0 10,-2.3 -8,-0.1 7,-0.4 -6,-0.1 -0.908 35.9 152.1-128.3 98.4 -7.2 4.6 70.8 92 134 A S > - 0 0 0 -2,-0.5 3,-2.2 -10,-0.3 6,-0.3 0.587 50.7-132.6-107.2 -13.5 -7.9 3.7 67.1 93 135 A A T 3 S- 0 0 1 -11,-2.4 35,-2.6 1,-0.3 36,-0.3 0.779 78.4 -63.7 60.8 23.0 -4.7 2.2 65.7 94 136 A G T 3 S+ 0 0 0 -12,-0.3 49,-2.5 1,-0.3 48,-0.5 0.416 108.2 129.9 82.3 -1.1 -5.5 4.8 62.9 95 137 A S X - 0 0 0 -3,-2.2 3,-0.7 47,-0.2 -1,-0.3 -0.589 61.5-141.1 -90.4 147.3 -8.8 3.0 62.0 96 138 A L G > S+ 0 0 35 -2,-0.2 3,-1.3 1,-0.2 4,-0.2 0.723 99.2 74.0 -74.0 -19.7 -12.2 4.6 61.7 97 139 A A G 3 S+ 0 0 13 1,-0.3 -1,-0.2 -5,-0.1 3,-0.2 0.804 104.6 35.1 -62.7 -30.0 -13.6 1.5 63.3 98 140 A L G X S+ 0 0 0 -3,-0.7 3,-1.4 -6,-0.3 -7,-0.4 0.017 78.0 122.9-114.6 26.4 -12.3 2.7 66.7 99 141 A Q T < S+ 0 0 100 -3,-1.3 -1,-0.1 1,-0.3 -9,-0.1 0.812 85.4 34.0 -56.7 -34.7 -12.8 6.4 66.3 100 142 A G T 3 S+ 0 0 48 -4,-0.2 2,-0.7 -3,-0.2 -1,-0.3 0.180 89.3 114.9-108.9 17.3 -15.0 6.6 69.4 101 143 A F < + 0 0 15 -3,-1.4 -10,-2.3 1,-0.1 237,-0.1 -0.797 35.7 173.0 -91.5 115.2 -13.2 3.9 71.5 102 144 A R + 0 0 152 -2,-0.7 -12,-0.1 -12,-0.3 -1,-0.1 -0.640 7.4 178.0-126.5 75.6 -11.6 5.5 74.5 103 145 A P - 0 0 11 0, 0.0 -17,-0.3 0, 0.0 3,-0.1 -0.176 35.3 -87.4 -72.3 168.3 -10.2 2.8 76.9 104 146 A D - 0 0 123 1,-0.2 -19,-0.1 -18,-0.1 232,-0.0 -0.269 62.5 -63.5 -73.6 162.8 -8.3 3.4 80.1 105 147 A D - 0 0 33 1,-0.1 -19,-0.3 4,-0.1 -1,-0.2 -0.074 48.5-122.2 -50.2 136.9 -4.5 4.0 80.4 106 148 A A > - 0 0 1 -21,-2.3 4,-2.3 102,-0.2 3,-0.5 -0.353 34.3-102.1 -73.0 159.9 -2.1 1.2 79.4 107 149 A Y H > S+ 0 0 42 100,-0.8 4,-2.1 1,-0.2 5,-0.2 0.908 122.6 49.2 -52.3 -47.5 0.3 0.1 82.1 108 150 A L H > S+ 0 0 0 99,-0.5 4,-1.9 97,-0.3 -1,-0.2 0.831 109.7 52.3 -64.9 -30.3 3.3 2.1 80.7 109 151 A V H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.888 107.3 52.2 -71.4 -38.6 1.1 5.2 80.4 110 152 A R H X S+ 0 0 102 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.908 110.5 49.1 -63.1 -39.2 0.1 4.8 84.0 111 153 A R H X S+ 0 0 81 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.882 111.1 49.1 -66.9 -38.3 3.9 4.6 84.9 112 154 A L H <>S+ 0 0 1 -4,-1.9 5,-2.5 2,-0.2 -2,-0.2 0.891 111.9 48.0 -68.2 -39.7 4.7 7.7 82.8 113 155 A R H ><5S+ 0 0 41 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.878 110.2 51.7 -69.4 -35.6 1.9 9.7 84.4 114 156 A D H 3<5S+ 0 0 109 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.1 57.1 -69.0 -27.5 3.0 8.6 87.9 115 157 A A T 3<5S- 0 0 20 -4,-1.3 -42,-0.4 -5,-0.2 -1,-0.3 0.514 125.3-107.7 -78.3 -6.2 6.5 9.8 86.9 116 158 A G T < 5 + 0 0 0 -3,-1.2 -41,-3.1 1,-0.2 -3,-0.2 0.533 65.9 152.2 93.8 7.5 4.9 13.2 86.2 117 159 A A < - 0 0 1 -5,-2.5 2,-0.5 -43,-0.2 -1,-0.2 -0.355 40.4-132.0 -70.9 153.0 5.0 13.2 82.4 118 160 A V E - b 0 77A 0 -42,-2.6 -40,-2.8 -45,-0.2 2,-0.8 -0.924 12.4-139.3-107.5 124.8 2.4 15.2 80.5 119 161 A V E - b 0 78A 0 -2,-0.5 -40,-0.2 -42,-0.2 -63,-0.1 -0.756 17.9-176.6 -87.9 113.0 0.6 13.5 77.6 120 162 A L E - 0 0 0 -42,-2.8 -70,-3.0 -2,-0.8 2,-0.3 0.847 54.3 -81.0 -74.7 -36.0 0.3 15.9 74.7 121 163 A G E -Ab 49 79A 0 -43,-0.7 -41,-2.0 -72,-0.3 2,-0.3 -0.987 54.0 -52.4 164.4-160.8 -1.7 13.5 72.6 122 164 A K E -Ab 48 80A 0 -74,-2.9 -75,-1.7 -2,-0.3 -74,-1.5 -0.852 41.0-135.8-114.0 146.6 -1.4 10.6 70.2 123 165 A T E -Ab 46 81A 0 -43,-2.4 -41,-2.0 -2,-0.3 -77,-0.3 -0.734 24.0-106.6-103.7 151.7 0.7 10.2 67.1 124 166 A N + 0 0 0 -79,-2.5 39,-2.0 -2,-0.3 40,-0.5 -0.210 39.1 178.8 -68.4 161.0 -0.4 8.8 63.7 125 167 A L - 0 0 0 37,-0.2 19,-0.2 38,-0.1 36,-0.2 -0.963 44.3 -74.5-156.2 163.7 0.8 5.3 62.6 126 168 A S S > S- 0 0 0 34,-0.8 3,-1.6 -2,-0.3 4,-0.5 -0.512 76.5 -88.2 -61.3 133.0 0.5 3.0 59.6 127 169 A E G > S+ 0 0 4 13,-2.5 3,-1.2 1,-0.3 4,-0.3 -0.174 110.7 3.6 -51.4 134.8 -3.1 1.7 60.2 128 170 A W G > S- 0 0 4 -35,-2.6 3,-1.7 1,-0.3 -1,-0.3 0.812 131.3 -67.0 56.0 33.6 -3.2 -1.4 62.5 129 171 A A G < S- 0 0 4 -3,-1.6 -1,-0.3 -36,-0.3 -2,-0.2 0.862 91.9 -62.9 55.7 36.7 0.5 -1.0 62.9 130 172 A N G < S+ 0 0 7 -3,-1.2 -1,-0.3 -4,-0.5 2,-0.2 0.640 111.5 118.3 65.2 18.5 0.8 -1.9 59.2 131 173 A F < + 0 0 0 -3,-1.7 -1,-0.1 -4,-0.3 -3,-0.1 -0.369 52.5 82.4-107.7 52.9 -0.6 -5.4 59.7 132 174 A R S S- 0 0 1 1,-0.3 234,-1.7 -2,-0.2 233,-1.4 0.742 89.8 -4.9-119.4 -51.8 -3.6 -4.9 57.4 133 175 A G > - 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0 0 172 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.906 40.5-172.2 45.6 57.5 -14.8 -4.0 75.5 338 380 A A < - 0 0 3 -5,-2.5 -1,-0.1 2,-0.3 -240,-0.1 -0.256 38.2-108.5 -72.5 163.6 -14.2 -2.5 72.1 339 381 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.654 110.3 56.6 -68.3 -14.2 -17.1 -1.8 69.6 340 382 A L - 0 0 20 1,-0.1 -2,-0.3 -7,-0.1 3,-0.1 -0.931 62.4-177.6-115.0 141.4 -15.7 -4.6 67.5 341 383 A R + 0 0 115 -2,-0.4 2,-0.3 1,-0.1 -7,-0.1 0.420 62.9 33.6-121.0 0.9 -15.2 -8.1 69.1 342 384 A S S > S- 0 0 26 1,-0.1 4,-1.2 -9,-0.1 -1,-0.1 -0.974 73.5-118.0-150.4 162.3 -13.7 -10.1 66.3 343 385 A L H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.849 116.9 61.2 -68.7 -32.8 -11.3 -9.8 63.4 344 386 A A H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 101.0 52.9 -59.5 -39.5 -14.3 -10.8 61.2 345 387 A D H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 109.3 48.9 -62.8 -39.5 -16.1 -7.7 62.5 346 388 A L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.911 110.3 49.6 -67.6 -44.4 -13.2 -5.5 61.4 347 389 A I H X S+ 0 0 20 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.928 112.9 48.6 -60.1 -43.6 -13.0 -7.1 58.0 348 390 A A H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.904 109.6 52.3 -63.6 -42.0 -16.7 -6.5 57.6 349 391 A F H X S+ 0 0 41 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.923 108.3 49.8 -61.1 -45.5 -16.4 -2.9 58.7 350 392 A N H < S+ 0 0 0 -4,-2.5 8,-0.3 1,-0.2 7,-0.3 0.879 110.8 50.2 -62.8 -36.5 -13.7 -2.1 56.2 351 393 A Q H >< S+ 0 0 121 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.913 109.8 50.4 -67.0 -41.8 -15.7 -3.6 53.4 352 394 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 121.2 35.0 -66.6 -26.3 -18.8 -1.5 54.5 353 395 A H T >X S+ 0 0 72 -4,-1.6 4,-2.6 -5,-0.2 3,-1.0 -0.202 76.2 140.5-120.0 39.6 -16.6 1.6 54.5 354 396 A S H <> + 0 0 62 -3,-1.3 4,-1.6 1,-0.2 -1,-0.1 0.791 64.8 64.3 -52.3 -33.8 -14.4 0.6 51.5 355 397 A K H 34 S+ 0 0 170 1,-0.2 -1,-0.2 -3,-0.2 4,-0.2 0.901 115.9 27.0 -59.6 -42.7 -14.4 4.1 50.2 356 398 A Q H <4 S+ 0 0 101 -3,-1.0 -2,-0.2 -6,-0.1 -1,-0.2 0.787 133.1 33.4 -91.2 -30.8 -12.5 5.5 53.3 357 399 A E H < S+ 0 0 0 -4,-2.6 4,-0.3 -7,-0.3 3,-0.2 0.822 123.0 34.3 -97.0 -35.5 -10.6 2.4 54.3 358 400 A L S < S+ 0 0 45 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.1 0.071 82.4 103.7-112.5 26.0 -9.7 0.4 51.2 359 401 A G S S+ 0 0 63 -4,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.806 90.7 32.1 -76.5 -30.4 -9.1 3.1 48.6 360 402 A L S S- 0 0 83 1,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.859 133.3 -17.1 -92.9 -45.0 -5.3 2.9 48.7 361 403 A F S S- 0 0 20 -4,-0.3 -1,-0.4 1,-0.1 -226,-0.1 -0.945 70.5-102.5-153.6 171.7 -4.7 -0.8 49.4 362 404 A G - 0 0 21 -228,-0.4 -1,-0.1 -2,-0.3 3,-0.1 0.214 23.0-113.3 -86.2-156.2 -6.5 -3.8 50.7 363 405 A Q > + 0 0 16 -230,-0.1 4,-2.0 1,-0.1 3,-0.3 -0.174 56.5 138.8-136.6 41.5 -6.8 -5.8 53.9 364 406 A E H > S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -231,-0.2 0.783 71.4 55.4 -59.8 -32.1 -5.3 -9.2 52.8 365 407 A L H > S+ 0 0 6 -233,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.899 107.6 49.3 -70.3 -38.3 -3.3 -9.6 56.1 366 408 A L H > S+ 0 0 0 -234,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.926 112.4 49.6 -62.8 -43.7 -6.5 -9.3 58.1 367 409 A V H X S+ 0 0 78 -4,-2.0 4,-0.7 -235,-0.3 -2,-0.2 0.915 113.2 44.2 -62.7 -45.7 -8.2 -11.8 55.9 368 410 A E H >< S+ 0 0 78 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.918 112.2 53.3 -67.4 -41.1 -5.4 -14.4 56.1 369 411 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.899 102.5 58.3 -60.3 -40.0 -5.1 -13.9 59.9 370 412 A D H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 101.6 56.7 -63.9 -20.1 -8.8 -14.6 60.4 371 413 A A T << S+ 0 0 85 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.486 79.6 118.7 -90.4 -3.2 -8.4 -18.0 58.8 372 414 A T < - 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X 0 937F 10 -3,-1.7 -3,-2.4 -36,-0.0 -1,-0.2 -0.883 69.4-109.9-107.3 130.2 19.2 -6.2 3.0 941 495 B P E - X 0 936F 4 0, 0.0 2,-0.4 0, 0.0 -37,-0.2 -0.159 28.8-171.7 -57.4 143.6 18.4 -4.6 6.4 942 496 B V E - X 0 935F 3 -7,-2.3 -8,-2.6 -39,-0.1 -7,-1.1 -0.985 11.5-151.6-133.4 140.5 16.6 -1.3 6.8 943 497 B G E - X 0 933F 1 -2,-0.4 -43,-2.5 -42,-0.3 2,-0.5 -0.799 13.4-129.2-119.1 160.7 16.1 0.5 10.1 944 498 B L E -WX 899 932F 1 -12,-3.2 -12,-2.3 -2,-0.3 2,-0.4 -0.924 27.2-147.2-105.1 124.5 13.7 2.8 11.8 945 499 B L E -WX 898 931F 1 -47,-3.4 -47,-1.4 -2,-0.5 2,-0.4 -0.765 10.5-166.4 -97.6 136.6 15.3 5.9 13.3 946 500 B F E -WX 897 930F 0 -16,-2.6 -16,-2.2 -2,-0.4 2,-0.4 -0.981 10.4-177.7-117.6 130.1 14.0 7.6 16.5 947 501 B M E +WX 896 929F 1 -51,-2.5 -51,-2.3 -2,-0.4 2,-0.2 -0.979 5.2 168.8-129.5 144.8 15.4 11.1 17.4 948 502 B G - 0 0 0 -20,-1.9 -53,-0.1 -2,-0.4 3,-0.1 -0.820 36.5 -77.7-142.6-178.7 14.6 13.2 20.4 949 503 B T S > S- 0 0 52 -55,-0.3 3,-1.7 -2,-0.2 -1,-0.1 -0.241 73.0 -55.9 -78.2 172.0 15.7 16.4 22.2 950 504 B A T 3 S+ 0 0 29 1,-0.3 -1,-0.2 -23,-0.1 -23,-0.1 -0.177 123.2 6.6 -50.8 134.5 18.7 16.5 24.5 951 505 B W T 3 S+ 0 0 61 -3,-0.1 -1,-0.3 1,-0.1 4,-0.1 0.641 87.4 125.5 67.4 19.7 18.7 14.0 27.4 952 506 B S <> + 0 0 13 -3,-1.7 4,-2.5 1,-0.2 3,-0.4 0.204 27.1 118.5 -92.8 18.2 15.6 12.2 26.1 953 507 B E H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 71.4 56.0 -50.3 -43.0 17.3 8.7 26.1 954 508 B P H > S+ 0 0 29 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.935 111.9 42.4 -57.1 -45.1 14.8 7.3 28.7 955 509 B K H > S+ 0 0 72 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.878 113.7 51.5 -68.2 -40.7 11.8 8.2 26.5 956 510 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.894 109.1 50.5 -65.5 -39.7 13.5 7.1 23.3 957 511 B I H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.924 109.4 51.8 -64.1 -43.1 14.3 3.7 24.7 958 512 B E H X S+ 0 0 33 -4,-1.8 4,-2.1 -5,-0.2 -205,-0.3 0.928 114.9 41.5 -57.6 -49.0 10.7 3.3 25.9 959 513 B M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 116.0 48.3 -67.1 -44.0 9.3 4.0 22.5 960 514 B A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.903 112.8 49.0 -64.1 -41.8 12.0 2.0 20.6 961 515 B Y H X S+ 0 0 42 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.916 110.0 50.8 -63.7 -44.2 11.5 -1.0 22.9 962 516 B A H X S+ 0 0 5 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.904 113.7 45.7 -60.7 -41.5 7.7 -0.9 22.5 963 517 B Y H >X S+ 0 0 5 -4,-2.2 4,-0.9 1,-0.2 3,-0.8 0.939 112.9 49.8 -65.8 -48.3 8.1 -0.8 18.8 964 518 B E H >X S+ 0 0 15 -4,-2.8 4,-3.2 1,-0.2 3,-0.7 0.889 105.6 57.4 -57.6 -43.1 10.6 -3.6 18.7 965 519 B Q H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.710 110.2 41.5 -66.0 -23.3 8.5 -5.9 20.9 966 520 B R H << S+ 0 0 114 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.539 126.2 33.5-101.3 -4.5 5.5 -5.9 18.6 967 521 B T H << - 0 0 35 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.2 0.778 67.7-174.6-113.0 -43.7 7.5 -6.2 15.4 968 522 B R < + 0 0 152 -4,-3.2 -3,-0.1 -5,-0.2 -4,-0.1 0.897 22.4 162.7 42.9 52.0 10.6 -8.3 16.2 969 523 B A + 0 0 23 -36,-0.5 -35,-0.1 -5,-0.1 -1,-0.1 0.644 26.6 112.9 -76.8 -18.2 11.8 -7.6 12.7 970 524 B R - 0 0 30 -37,-0.2 -288,-0.1 -258,-0.1 -34,-0.1 -0.321 42.0-176.0 -61.0 135.6 15.5 -8.5 13.1 971 525 B R - 0 0 146 -290,-0.1 3,-0.1 -36,-0.1 -36,-0.0 -0.999 26.3-120.0-131.7 126.3 16.5 -11.5 11.1 972 526 B P - 0 0 68 0, 0.0 -314,-0.1 0, 0.0 2,-0.1 -0.243 35.7 -96.7 -64.7 155.3 20.1 -12.8 11.4 973 527 B P - 0 0 14 0, 0.0 2,-0.6 0, 0.0 -334,-0.1 -0.426 35.3-125.1 -71.0 149.0 22.3 -13.0 8.3 974 528 B H 0 0 175 -335,-0.2 -3,-0.0 -2,-0.1 0, 0.0 -0.866 360.0 360.0 -99.6 122.5 22.5 -16.4 6.6 975 529 B F 0 0 92 -2,-0.6 -336,-0.0 -335,-0.1 -451,-0.0 -0.558 360.0 360.0 -99.4 360.0 26.0 -17.8 6.1 976 !* 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 0.0 977 1 C F 0 0 84 0, 0.0 -659,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 360.0 7.0 -10.0 55.3 978 ! 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 0.0 979 2 C X 0 0 92 0, 0.0 -796,-0.1 0, 0.0 -797,-0.0 0.000 360.0 360.0 360.0 156.4 7.8 -5.4 56.4 980 3 C L 0 0 0 -798,-0.3 -797,-0.2 1,-0.2 -849,-0.0 0.747 360.0 360.0 37.5 46.8 7.6 -2.5 58.8 981 4 C X 0 0 3 -799,-0.7 -821,-0.3 -821,-0.1 -851,-0.2 0.091 360.0 360.0 -57.8 360.0 4.7 -3.8 61.1 982 !* 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 0.0 983 1 D F 0 0 85 0, 0.0 -177,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 360.0 30.3 16.1 4.1 984 ! 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 0.0 985 2 D X 0 0 92 0, 0.0 -314,-0.1 0, 0.0 -315,-0.0 0.000 360.0 360.0 360.0 156.4 29.5 11.5 5.2 986 3 D L 0 0 0 -316,-0.3 -315,-0.2 1,-0.2 -367,-0.0 0.750 360.0 360.0 37.4 46.9 29.7 8.5 7.6 987 4 D X 0 0 3 -317,-0.7 -339,-0.3 -339,-0.1 -369,-0.2 0.088 360.0 360.0 -58.0 360.0 32.6 9.9 9.9