==== 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 29-AUG-06 2I6X . COMPND 2 MOLECULE: HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR M.E.CUFF,K.E.MUSSAR,H.LI,S.MOY,A.JOACHIMIAK,MIDWEST CENTER F . 205 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.4 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 . 1 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 . 15 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 0 2 2 1 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 A A 0 0 83 0, 0.0 205,-0.2 0, 0.0 203,-0.1 0.000 360.0 360.0 360.0 148.8 52.6 21.2 -15.6 2 1 A X + 0 0 42 203,-2.0 2,-0.4 201,-0.2 204,-0.1 0.958 360.0 51.8 -50.3 -60.8 51.6 17.9 -14.1 3 2 A I + 0 0 6 202,-0.4 163,-0.2 200,-0.2 -1,-0.1 -0.737 44.6 160.5-100.7 128.5 52.2 18.9 -10.5 4 3 A R S S+ 0 0 147 161,-3.0 98,-2.1 -2,-0.4 2,-0.3 0.585 72.7 40.8-109.0 -28.1 50.9 22.1 -8.7 5 4 A N E -ab 102 166A 7 160,-2.1 162,-2.7 96,-0.2 2,-0.4 -0.931 61.1-164.2-127.1 145.6 51.3 20.9 -5.1 6 5 A I E -ab 103 167A 0 96,-2.4 98,-2.4 -2,-0.3 2,-0.4 -0.999 4.6-165.3-133.4 133.0 54.0 19.0 -3.3 7 6 A V E -ab 104 168A 0 160,-3.0 162,-2.9 -2,-0.4 2,-0.4 -0.962 9.0-166.7-119.9 130.8 53.6 17.4 0.1 8 7 A F E -ab 105 169A 0 96,-2.5 98,-2.8 -2,-0.4 2,-0.2 -0.902 17.0-136.6-116.4 144.3 56.6 16.3 2.2 9 8 A D - 0 0 13 160,-2.1 98,-0.2 -2,-0.4 5,-0.1 -0.543 15.6-145.8 -79.6 166.1 57.0 14.1 5.2 10 9 A L S >>S+ 0 0 2 -2,-0.2 4,-2.7 3,-0.2 5,-2.2 0.875 78.5 58.8 -94.9 -72.9 59.5 15.4 7.8 11 10 A G B 45S+e 15 0B 18 97,-0.2 2,-1.3 1,-0.2 160,-0.4 -0.364 121.5 7.2 -59.4 133.6 61.1 12.3 9.4 12 11 A G T 45S+ 0 0 0 3,-3.1 180,-1.2 1,-0.2 181,-0.2 -0.434 131.7 53.0 93.2 -56.9 62.9 10.3 6.7 13 12 A V T 45S+ 0 0 0 -2,-1.3 182,-0.2 178,-0.1 -2,-0.2 0.932 128.7 9.3 -76.2 -52.1 62.4 12.7 3.9 14 13 A L T <5S+ 0 0 1 -4,-2.7 73,-2.2 1,-0.3 2,-0.5 0.724 132.5 44.0-106.2 -30.7 63.8 16.0 5.4 15 14 A I E + 0 0 44 64,-2.2 4,-1.4 -2,-0.3 3,-0.3 -0.785 7.9 175.4-140.9 90.1 68.5 7.1 13.6 19 18 A R H > S+ 0 0 80 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.856 76.7 62.9 -68.6 -35.3 66.2 4.9 15.7 20 19 A E H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 102.5 51.1 -52.6 -45.1 69.0 2.9 17.4 21 20 A E H > S+ 0 0 34 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.925 110.4 46.9 -65.0 -48.3 70.3 6.1 19.0 22 21 A S H X S+ 0 0 0 -4,-1.4 4,-2.6 59,-0.3 -2,-0.2 0.899 110.7 53.8 -59.0 -39.6 66.9 7.0 20.4 23 22 A I H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 108.4 51.0 -58.5 -41.7 66.6 3.4 21.6 24 23 A R H X S+ 0 0 151 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.920 111.5 45.8 -59.9 -48.2 69.9 3.8 23.4 25 24 A R H X S+ 0 0 73 -4,-2.3 4,-1.2 53,-0.2 -2,-0.2 0.911 111.3 52.3 -66.1 -42.4 68.8 7.1 25.1 26 25 A F H <>S+ 0 0 0 -4,-2.6 5,-2.3 52,-0.2 3,-0.4 0.892 108.6 50.7 -59.4 -42.5 65.4 5.5 26.2 27 26 A K H ><5S+ 0 0 105 -4,-2.1 3,-2.2 1,-0.2 -1,-0.2 0.924 104.7 57.9 -58.9 -46.1 67.2 2.5 27.7 28 27 A A H 3<5S+ 0 0 85 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.9 48.4 -62.1 -24.1 69.5 4.9 29.7 29 28 A I T 3<5S- 0 0 25 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.123 128.0 -95.3-100.7 21.7 66.4 6.5 31.3 30 29 A G T < 5S+ 0 0 26 -3,-2.2 2,-1.9 1,-0.2 -3,-0.2 0.377 83.4 131.5 89.9 -2.6 64.8 3.2 32.2 31 30 A V > < + 0 0 0 -5,-2.3 3,-0.9 1,-0.2 -1,-0.2 -0.591 28.1 165.2 -81.0 81.9 62.5 2.6 29.3 32 31 A A T 3 + 0 0 73 -2,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.798 66.8 49.8 -76.2 -34.8 63.8 -0.9 28.9 33 32 A D T 3> S+ 0 0 87 -3,-0.2 4,-1.8 1,-0.2 3,-0.4 0.032 77.5 121.8 -91.5 25.7 61.1 -2.4 26.6 34 33 A I H <> + 0 0 0 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.840 61.5 60.9 -57.8 -40.5 61.5 0.6 24.3 35 34 A E H 4 S+ 0 0 102 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.898 111.4 39.1 -61.9 -41.2 62.4 -1.3 21.2 36 35 A E H >4 S+ 0 0 123 -3,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.830 112.5 57.3 -75.8 -31.4 59.0 -3.2 21.2 37 36 A X H 3< S+ 0 0 33 -4,-1.8 8,-0.2 1,-0.2 -2,-0.2 0.842 111.2 44.5 -63.4 -34.3 57.2 -0.0 22.3 38 37 A L T 3< S+ 0 0 33 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.284 92.7 107.2 -92.8 5.8 58.6 1.7 19.2 39 38 A D < 0 0 110 -3,-1.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.697 360.0 360.0 -91.1 139.8 57.9 -1.2 16.7 40 39 A P 0 0 160 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.208 360.0 360.0 -66.4 360.0 55.0 -1.1 14.0 41 ! 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 42 43 A K 0 0 252 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 124.5 47.8 0.0 20.3 43 44 A G > - 0 0 36 1,-0.1 4,-1.5 2,-0.1 3,-0.2 -0.417 360.0-111.3 145.9 148.3 50.4 1.8 22.3 44 45 A L H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 9,-0.2 0.787 114.4 60.4 -75.3 -23.1 51.2 5.0 24.2 45 46 A F H > S+ 0 0 21 -8,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 106.9 48.8 -64.0 -33.8 53.8 6.2 21.6 46 47 A L H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 6,-0.3 0.854 106.8 54.9 -68.7 -35.7 50.8 6.1 19.2 47 48 A D H X S+ 0 0 24 -4,-1.5 6,-1.9 1,-0.2 4,-0.5 0.849 107.9 51.9 -63.8 -33.0 48.7 8.0 21.7 48 49 A L H < S+ 0 0 4 -4,-1.6 3,-0.3 2,-0.2 -2,-0.2 0.899 113.3 41.0 -68.4 -44.4 51.6 10.6 21.6 49 50 A E H < S+ 0 0 59 -4,-1.7 60,-0.4 1,-0.2 95,-0.2 0.823 116.3 49.1 -70.3 -38.5 51.6 11.0 17.7 50 51 A S H < S- 0 0 10 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.520 108.6-121.4 -84.2 -9.2 47.9 10.9 17.3 51 52 A G S < S+ 0 0 32 -4,-0.5 -3,-0.2 -3,-0.3 -4,-0.1 0.387 77.1 125.3 83.3 -3.7 47.3 13.6 20.0 52 53 A R S S+ 0 0 174 -5,-0.4 2,-0.5 -6,-0.3 -4,-0.2 0.899 78.9 35.0 -58.2 -43.7 45.1 11.2 22.0 53 54 A K S S- 0 0 41 -6,-1.9 -2,-0.3 -9,-0.2 -1,-0.1 -0.945 90.3-130.4-103.9 134.6 47.4 11.7 25.0 54 55 A S > - 0 0 56 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.229 35.1 -98.0 -62.8 167.8 48.9 15.2 25.5 55 56 A E H > S+ 0 0 34 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.954 127.6 49.0 -54.8 -51.1 52.6 15.3 26.2 56 57 A E H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.873 112.2 48.5 -55.2 -44.4 51.9 15.6 30.0 57 58 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 110.4 50.1 -65.8 -42.7 49.6 12.6 29.8 58 59 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.874 112.3 47.0 -63.3 -40.2 52.0 10.4 27.8 59 60 A R H X S+ 0 0 31 -4,-2.2 4,-2.8 2,-0.2 11,-0.3 0.893 110.0 52.6 -73.4 -39.3 54.9 11.1 30.2 60 61 A T H X S+ 0 0 58 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.942 114.5 42.9 -56.7 -50.3 52.7 10.4 33.3 61 62 A E H X S+ 0 0 63 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.870 113.2 51.6 -66.4 -36.4 51.7 7.1 31.8 62 63 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.883 109.3 50.9 -67.2 -42.2 55.3 6.2 30.6 63 64 A S H X>S+ 0 0 15 -4,-2.8 5,-1.9 2,-0.2 4,-1.6 0.939 111.1 47.8 -55.5 -51.8 56.5 7.0 34.2 64 65 A R H <5S+ 0 0 159 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.917 110.0 55.8 -54.9 -43.3 53.9 4.6 35.6 65 66 A Y H <5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.1 31.2 -62.1 -39.4 54.9 2.1 33.0 66 67 A I H <5S- 0 0 40 -4,-1.9 -1,-0.2 2,-0.3 -2,-0.2 0.577 105.8-120.7 -97.5 -6.9 58.6 1.9 33.9 67 68 A G T <5S+ 0 0 70 -4,-1.6 2,-0.3 -3,-0.2 -3,-0.2 0.893 81.4 98.7 66.7 42.7 58.1 2.7 37.6 68 69 A K S - 0 0 49 -2,-0.4 4,-1.7 1,-0.1 5,-0.3 -0.503 28.6-106.9 -92.6 161.9 60.7 14.8 33.1 72 73 A Y H > S+ 0 0 73 1,-0.2 4,-3.2 2,-0.2 3,-0.4 0.944 120.9 53.0 -45.9 -52.6 59.9 16.6 29.9 73 74 A Q H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.856 106.4 52.2 -60.8 -40.8 63.6 17.2 29.3 74 75 A Q H > S+ 0 0 58 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.869 115.6 38.8 -62.3 -41.3 64.5 13.5 29.7 75 76 A V H X S+ 0 0 0 -4,-1.7 4,-3.2 -3,-0.4 5,-0.3 0.904 114.5 53.7 -79.8 -45.4 62.0 12.3 27.1 76 77 A Y H X S+ 0 0 59 -4,-3.2 4,-2.6 -5,-0.3 -2,-0.2 0.935 110.0 49.2 -47.3 -53.5 62.6 15.2 24.8 77 78 A D H < S+ 0 0 71 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.850 113.4 46.1 -57.3 -41.1 66.3 14.4 24.9 78 79 A A H >< S+ 0 0 1 -4,-1.4 3,-1.1 2,-0.2 4,-0.3 0.908 112.7 48.8 -70.0 -44.5 65.7 10.7 24.1 79 80 A L H >< S+ 0 0 10 -4,-3.2 3,-2.1 1,-0.2 4,-0.3 0.915 104.8 59.5 -62.5 -40.0 63.2 11.3 21.3 80 81 A L G >< S+ 0 0 30 -4,-2.6 3,-1.2 -5,-0.3 -1,-0.2 0.644 84.3 80.0 -68.0 -8.6 65.6 13.8 19.8 81 82 A G G < S+ 0 0 4 -3,-1.1 -59,-0.3 -4,-0.3 -1,-0.3 0.729 83.1 67.2 -61.7 -25.9 68.2 11.0 19.5 82 83 A F G < S+ 0 0 43 -3,-2.1 -64,-2.2 -4,-0.3 2,-1.3 0.771 80.1 85.5 -57.8 -32.2 66.1 10.0 16.4 83 84 A L E < +F 17 0B 33 -3,-1.2 -66,-0.2 -4,-0.3 3,-0.2 -0.605 45.9 160.5 -89.9 93.1 67.2 13.2 14.5 84 85 A E E + 0 0 103 -68,-1.8 2,-0.3 -2,-1.3 -67,-0.2 0.834 69.0 6.9 -84.7 -36.1 70.5 12.3 12.9 85 86 A E E -F 16 0B 110 -69,-1.6 -69,-2.3 2,-0.0 2,-0.9 -0.866 52.6-155.2-151.3 123.1 70.6 15.1 10.3 86 87 A I E -F 15 0B 47 -2,-0.3 2,-1.1 -71,-0.2 -71,-0.2 -0.827 36.8-129.6 -87.2 105.4 68.3 18.1 9.6 87 88 A S > - 0 0 10 -73,-2.2 4,-1.9 -2,-0.9 5,-0.2 -0.446 27.9-177.4 -68.4 95.7 69.0 18.5 5.8 88 89 A A H > S+ 0 0 41 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.902 84.1 52.7 -52.4 -45.2 69.9 22.2 5.3 89 90 A E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 106.9 50.2 -66.7 -36.7 70.2 21.5 1.5 90 91 A K H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 111.5 49.4 -69.7 -34.2 66.7 19.9 1.2 91 92 A F H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.911 110.3 50.7 -68.0 -41.0 65.2 22.9 3.1 92 93 A D H X S+ 0 0 108 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.913 111.5 48.5 -55.8 -45.0 67.1 25.3 0.7 93 94 A Y H X S+ 0 0 32 -4,-2.3 4,-0.7 2,-0.2 3,-0.2 0.895 110.9 49.4 -64.2 -43.4 65.7 23.3 -2.2 94 95 A I H >X S+ 0 0 0 -4,-2.2 3,-1.1 1,-0.2 4,-0.6 0.900 106.5 57.3 -62.2 -40.7 62.2 23.4 -0.8 95 96 A D H >< S+ 0 0 66 -4,-2.5 3,-0.7 1,-0.3 -1,-0.2 0.842 103.4 53.4 -61.1 -33.3 62.6 27.1 -0.3 96 97 A S H 3< S+ 0 0 68 -4,-1.4 -1,-0.3 -3,-0.2 4,-0.2 0.689 103.2 59.4 -70.8 -20.5 63.3 27.5 -4.0 97 98 A L H XX S+ 0 0 12 -3,-1.1 4,-1.4 -4,-0.7 3,-1.1 0.654 81.1 88.8 -82.2 -15.7 60.1 25.7 -4.8 98 99 A R T << S+ 0 0 77 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.812 82.6 49.9 -64.5 -38.2 57.8 28.1 -3.1 99 100 A P T 34 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.793 119.2 38.7 -70.1 -19.9 57.0 30.6 -5.8 100 101 A D T <4 S+ 0 0 126 -3,-1.1 2,-0.3 -4,-0.2 -2,-0.2 0.591 120.0 31.7-102.5 -14.4 56.1 27.9 -8.3 101 102 A Y S < S- 0 0 42 -4,-1.4 2,-0.5 -3,-0.1 -96,-0.2 -0.955 74.1-114.2-142.1 154.8 54.3 25.4 -6.1 102 103 A R E -a 5 0A 101 -98,-2.1 -96,-2.4 -2,-0.3 2,-0.4 -0.848 41.4-155.4 -87.4 129.4 52.0 25.1 -3.1 103 104 A L E +a 6 0A 0 -2,-0.5 31,-3.3 -98,-0.2 32,-1.0 -0.915 16.1 175.4-119.7 134.9 54.1 23.3 -0.5 104 105 A F E -ac 7 135A 2 -98,-2.4 -96,-2.5 -2,-0.4 2,-0.4 -0.945 22.4-141.5-136.7 151.1 52.8 21.2 2.4 105 106 A L E -ac 8 136A 2 30,-1.8 32,-2.9 -2,-0.3 2,-0.5 -0.970 13.4-175.7-109.8 130.7 54.1 19.0 5.2 106 107 A L E + c 0 137A 0 -98,-2.8 2,-0.4 -2,-0.4 32,-0.2 -0.920 24.0 164.3-125.3 111.0 52.2 15.9 6.2 107 108 A S E - c 0 138A 2 30,-2.8 32,-2.7 -2,-0.5 2,-0.7 -0.969 44.1-141.9-137.5 131.6 53.9 14.3 9.2 108 109 A N + 0 0 38 -2,-0.4 2,-0.3 30,-0.2 -97,-0.2 -0.859 55.9 140.3 -80.9 117.3 53.4 11.8 11.9 109 110 A T - 0 0 10 -2,-0.7 31,-0.6 -60,-0.4 -2,-0.0 -0.913 45.3-121.3-156.1 172.8 55.2 13.6 14.7 110 111 A N > - 0 0 15 -2,-0.3 4,-1.8 29,-0.1 3,-0.2 -0.747 35.4-101.5-122.7 164.5 55.1 14.4 18.4 111 112 A P H > S+ 0 0 30 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.741 116.6 59.1 -54.4 -31.0 55.0 17.7 20.5 112 113 A Y H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.942 107.3 43.5 -66.4 -51.0 58.8 17.4 21.3 113 114 A V H > S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.910 114.5 52.4 -62.7 -39.2 59.9 17.4 17.7 114 115 A L H X S+ 0 0 15 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.880 104.9 54.1 -63.9 -40.3 57.4 20.2 17.0 115 116 A D H < S+ 0 0 90 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.915 113.8 43.5 -56.6 -43.1 58.8 22.2 19.9 116 117 A L H >< S+ 0 0 18 -4,-2.1 3,-1.7 1,-0.2 5,-0.4 0.947 112.7 51.7 -66.0 -48.5 62.3 21.8 18.2 117 118 A A H 3< S+ 0 0 0 -4,-3.2 12,-2.3 1,-0.3 13,-0.2 0.727 109.1 49.9 -61.9 -26.9 60.9 22.6 14.7 118 119 A X T 3< S+ 0 0 91 -4,-1.7 -1,-0.3 10,-0.2 -2,-0.2 0.223 97.9 87.6-101.3 14.2 59.2 25.8 15.8 119 120 A S S X S- 0 0 27 -3,-1.7 3,-1.0 8,-0.1 4,-0.2 -0.589 89.4-112.6-100.9 165.8 62.3 27.2 17.6 120 121 A P T 3 S+ 0 0 85 0, 0.0 7,-0.1 0, 0.0 -3,-0.1 0.307 111.5 69.1 -78.1 13.8 65.1 29.3 16.1 121 122 A R T 3 S+ 0 0 204 -5,-0.4 -4,-0.1 1,-0.1 -5,-0.1 0.308 72.9 87.0-108.9 3.9 67.4 26.2 16.8 122 123 A F S < S+ 0 0 7 -3,-1.0 -1,-0.1 -6,-0.2 6,-0.1 0.938 99.0 15.7 -71.4 -43.3 65.9 24.0 14.1 123 124 A L S > S- 0 0 10 4,-0.3 3,-2.7 -4,-0.2 -1,-0.2 -0.934 76.4-114.7-133.9 150.9 68.1 25.2 11.2 124 125 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.816 117.8 58.7 -54.6 -27.5 71.3 27.2 10.9 125 126 A S T 3 S- 0 0 78 2,-0.1 3,-0.1 1,-0.1 -4,-0.1 0.652 109.8-123.4 -75.4 -16.3 69.3 29.9 9.2 126 127 A G < + 0 0 33 -3,-2.7 2,-0.3 1,-0.3 -5,-0.1 0.638 61.0 148.5 77.6 17.4 67.0 30.3 12.3 127 128 A R - 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0 0 4 -6,-0.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.517 39.0-135.6 -71.5 132.5 44.7 20.3 -3.3 162 163 A K > - 0 0 116 -2,-0.2 3,-1.9 1,-0.1 -158,-0.2 -0.808 13.6-139.1 -80.8 123.2 43.6 18.0 -6.1 163 164 A P G > S+ 0 0 22 0, 0.0 3,-1.7 0, 0.0 22,-0.7 0.879 101.8 56.9 -52.3 -39.6 45.4 14.6 -5.5 164 165 A E G 3 S+ 0 0 117 1,-0.3 20,-0.1 20,-0.2 19,-0.1 0.586 109.2 46.9 -73.2 -4.6 46.1 14.2 -9.2 165 166 A E G < S+ 0 0 43 -3,-1.9 -161,-3.0 -162,-0.1 -160,-2.1 0.253 101.2 88.1-110.5 10.0 47.9 17.5 -9.2 166 167 A T E < -b 5 0A 0 -3,-1.7 19,-2.3 -163,-0.2 2,-0.5 -0.915 61.6-150.7-119.9 134.0 49.9 16.7 -6.0 167 168 A L E -bd 6 185A 4 -162,-2.7 -160,-3.0 -2,-0.4 2,-0.5 -0.909 15.5-159.2-100.2 123.8 53.3 15.0 -5.5 168 169 A F E -bd 7 186A 0 17,-3.0 19,-2.2 -2,-0.5 2,-0.6 -0.917 3.8-166.3-109.3 119.7 53.5 13.2 -2.1 169 170 A I E +bd 8 187A 0 -162,-2.9 -160,-2.1 -2,-0.5 2,-0.3 -0.913 26.1 143.7-114.6 106.7 57.1 12.4 -0.8 170 171 A D - 0 0 0 17,-1.9 -158,-0.1 -2,-0.6 17,-0.1 -0.996 44.4-151.1-147.9 138.8 57.1 9.9 2.0 171 172 A D S S+ 0 0 42 -160,-0.4 20,-0.2 -2,-0.3 17,-0.1 0.455 73.7 100.5 -88.8 -6.3 59.6 7.1 3.0 172 173 A G > - 0 0 17 1,-0.2 4,-2.7 18,-0.1 3,-0.3 -0.764 62.5-155.7 -86.1 108.7 56.7 5.2 4.7 173 174 A P H > S+ 0 0 100 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.855 95.8 48.1 -48.3 -45.6 55.5 2.4 2.4 174 175 A A H > S+ 0 0 56 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.868 111.3 50.9 -66.9 -36.7 52.0 2.4 4.1 175 176 A N H > S+ 0 0 19 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.935 112.0 47.1 -63.1 -49.0 51.8 6.2 3.8 176 177 A V H X S+ 0 0 20 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.911 108.7 54.6 -55.4 -49.3 52.6 6.0 0.1 177 178 A A H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.895 109.3 48.3 -54.5 -40.8 50.1 3.1 -0.5 178 179 A T H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.901 110.6 50.1 -69.1 -39.6 47.4 5.3 1.0 179 180 A A H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 4,-0.4 0.897 110.5 50.6 -66.6 -38.3 48.3 8.3 -1.1 180 181 A E H ><5S+ 0 0 104 -4,-2.8 3,-1.3 3,-0.2 -2,-0.2 0.918 107.9 53.2 -56.6 -46.0 48.3 6.1 -4.2 181 182 A R H 3<5S+ 0 0 162 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.854 109.3 49.4 -60.3 -38.2 44.8 4.9 -3.2 182 183 A L T 3<5S- 0 0 40 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.454 125.6 -99.4 -82.8 -5.7 43.6 8.5 -3.0 183 184 A G T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 -4,-0.4 -17,-0.2 0.492 71.8 144.6 101.1 6.4 45.0 9.5 -6.4 184 185 A F < - 0 0 4 -5,-2.8 2,-0.4 -6,-0.1 -1,-0.3 -0.381 53.6-119.4 -68.6 148.7 48.3 11.2 -5.4 185 186 A H E -d 167 0A 60 -19,-2.3 -17,-3.0 -22,-0.7 2,-0.3 -0.735 44.4-162.0 -71.8 136.0 51.5 11.1 -7.4 186 187 A T E -d 168 0A 30 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.906 26.0-172.4-126.9 155.0 54.0 9.5 -5.0 187 188 A Y E -d 169 0A 58 -19,-2.2 -17,-1.9 -2,-0.3 -2,-0.0 -0.957 11.5-157.4-140.9 133.9 57.7 9.2 -4.5 188 189 A C - 0 0 58 -2,-0.3 -17,-0.2 -19,-0.2 -19,-0.1 -0.832 15.8-175.5-115.6 91.2 59.2 6.9 -1.8 189 190 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 -176,-0.1 -0.383 27.6-109.2 -76.6 160.2 62.8 8.0 -0.8 190 191 A D > - 0 0 115 1,-0.1 3,-2.2 -2,-0.1 2,-0.4 -0.617 43.9 -89.0 -75.3 149.6 65.0 6.1 1.6 191 192 A N T 3 S+ 0 0 62 1,-0.3 -178,-0.1 -2,-0.2 -175,-0.1 -0.518 120.5 13.9 -52.0 112.0 65.7 7.5 5.0 192 193 A G T 3 S+ 0 0 43 -180,-1.2 -1,-0.3 -2,-0.4 2,-0.2 0.387 92.2 140.2 95.0 0.1 68.9 9.6 4.1 193 194 A E < - 0 0 59 -3,-2.2 2,-1.2 -181,-0.2 -1,-0.3 -0.514 56.2-126.8 -73.6 139.3 68.6 9.6 0.3 194 195 A N + 0 0 81 -2,-0.2 4,-0.3 1,-0.2 -1,-0.1 -0.740 39.1 167.3 -81.4 98.4 69.5 12.7 -1.6 195 196 A W > + 0 0 0 -2,-1.2 4,-2.7 -182,-0.2 5,-0.3 0.370 42.5 101.9 -96.1 1.3 66.3 13.0 -3.6 196 197 A I H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 83.6 46.8 -53.8 -54.6 66.7 16.5 -5.0 197 198 A P H > S+ 0 0 81 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.921 115.1 46.3 -54.5 -44.4 67.8 15.4 -8.5 198 199 A A H > S+ 0 0 33 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.874 115.6 44.7 -65.8 -41.7 65.0 12.8 -8.8 199 200 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.927 108.4 56.8 -67.8 -44.2 62.3 15.2 -7.6 200 201 A T H X S+ 0 0 50 -4,-2.9 4,-0.5 -5,-0.3 -2,-0.2 0.812 109.9 49.7 -52.6 -33.1 63.7 18.1 -9.8 201 202 A R H >< S+ 0 0 177 -4,-1.3 3,-0.9 -5,-0.2 4,-0.4 0.907 106.7 51.5 -71.1 -49.7 63.1 15.5 -12.6 202 203 A L H >< S+ 0 0 55 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.885 105.9 56.1 -57.7 -39.6 59.5 14.7 -11.6 203 204 A L H 3< S+ 0 0 15 -4,-2.4 -1,-0.2 1,-0.3 -200,-0.2 0.728 95.9 67.0 -68.5 -22.4 58.6 18.4 -11.5 204 205 A R T << S+ 0 0 157 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.669 81.2 109.1 -66.5 -20.7 59.8 18.8 -15.2 205 206 A E < 0 0 92 -3,-1.4 -203,-2.0 -4,-0.4 -202,-0.4 -0.348 360.0 360.0 -80.7 146.0 57.0 16.6 -16.5 206 207 A Q 0 0 169 -205,-0.2 -1,-0.1 -204,-0.1 -2,-0.0 0.863 360.0 360.0-107.5 360.0 53.9 17.6 -18.5