==== 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 DEHALOGENASE 03-JUN-96 1JUD . COMPND 2 MOLECULE: L-2-HALOACID DEHALOGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR T.HISANO,Y.HATA,T.FUJII,J.-Q.LIU,T.KURIHARA,N.ESAKI,K.SODA . 220 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.4 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.6 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 1 0 0 1 4 1 0 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 3 A Y 0 0 109 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 22.9 2.0 -8.4 2 4 A I + 0 0 32 1,-0.2 167,-0.2 167,-0.1 166,-0.1 -0.706 360.0 168.8 -82.3 121.7 21.3 3.7 -5.5 3 5 A K + 0 0 119 165,-2.6 108,-2.1 -2,-0.5 2,-0.3 0.483 65.3 26.1-108.4 -9.6 17.9 2.2 -4.7 4 6 A G E -ab 111 169A 0 164,-1.6 166,-2.9 106,-0.2 2,-0.4 -0.980 62.5-143.4-151.8 162.1 17.3 3.9 -1.4 5 7 A I E -ab 112 170A 0 106,-2.9 108,-2.0 -2,-0.3 2,-0.6 -0.996 5.0-155.6-134.8 130.9 18.2 6.9 0.6 6 8 A A E -ab 113 171A 3 164,-3.2 166,-2.9 -2,-0.4 2,-0.3 -0.938 22.0-156.2-105.7 119.2 18.8 7.2 4.4 7 9 A F E -ab 114 172A 3 106,-2.9 108,-2.5 -2,-0.6 2,-0.2 -0.745 11.5-139.7-101.8 151.7 18.2 10.8 5.7 8 10 A D - 0 0 14 164,-0.7 5,-0.2 -2,-0.3 108,-0.1 -0.592 17.9-143.5 -94.7 160.5 19.5 12.6 8.7 9 11 A L S >>S+ 0 0 3 106,-0.3 5,-2.4 -2,-0.2 4,-1.9 0.945 71.2 51.7 -96.0 -67.8 17.0 14.8 10.5 10 12 A Y B 45S+f 14 0B 62 1,-0.2 164,-0.2 3,-0.2 -1,-0.2 -0.625 123.5 4.4 -80.6 122.5 18.3 18.1 12.0 11 13 A G T 45S+ 0 0 21 3,-3.1 -1,-0.2 -2,-0.5 4,-0.1 0.108 127.6 62.7 95.0 -23.1 20.2 20.3 9.5 12 14 A T T 45S- 0 0 0 -3,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.839 128.2 -3.4 -97.5 -50.3 19.5 18.0 6.6 13 15 A L T <5S+ 0 0 0 -4,-1.9 82,-2.4 1,-0.2 2,-0.4 0.789 128.9 48.8-108.9 -49.4 15.7 18.2 6.4 14 16 A F E - G 0 93B 65 78,-2.7 78,-0.7 -2,-0.4 3,-0.5 -0.749 12.7-166.5 -86.6 124.6 15.9 23.7 10.3 16 18 A V T >> + 0 0 53 -2,-0.5 3,-2.0 1,-0.2 4,-0.8 0.518 65.6 100.2 -88.7 -5.3 16.7 23.9 14.1 17 19 A H H 3> S+ 0 0 126 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.740 71.3 71.9 -51.9 -23.0 17.0 27.7 14.1 18 20 A S H <> S+ 0 0 56 -3,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.893 91.4 55.0 -59.2 -43.4 13.5 27.6 15.5 19 21 A V H <> S+ 0 0 2 -3,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.837 99.7 61.3 -61.6 -34.4 14.8 26.2 18.9 20 22 A V H X S+ 0 0 32 -4,-0.8 4,-2.0 -3,-0.2 3,-0.3 0.933 106.4 45.3 -58.9 -46.1 17.2 29.2 19.2 21 23 A G H X S+ 0 0 34 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.919 110.3 52.7 -65.2 -44.3 14.3 31.6 19.2 22 24 A R H X S+ 0 0 71 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.765 109.8 50.8 -63.3 -25.7 12.3 29.5 21.7 23 25 A C H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.3 3,-0.2 0.887 107.4 52.1 -76.0 -43.4 15.3 29.5 24.0 24 26 A D H < S+ 0 0 66 -4,-2.0 6,-0.2 1,-0.2 -2,-0.2 0.771 105.7 55.3 -63.7 -29.5 15.7 33.3 23.8 25 27 A E H < S+ 0 0 153 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.841 111.8 43.9 -72.1 -33.9 12.1 33.7 24.8 26 28 A A H < S+ 0 0 38 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.2 0.885 132.5 20.3 -75.4 -43.9 12.7 31.6 27.9 27 29 A F S >X S- 0 0 31 -4,-2.7 3,-1.9 -5,-0.0 4,-0.7 -0.801 92.9-137.6-129.9 86.5 16.0 33.4 28.7 28 30 A P T 34 S+ 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.168 84.0 8.9 -49.3 124.7 16.1 36.8 26.9 29 31 A G T 34 S+ 0 0 63 -5,-0.2 3,-0.2 1,-0.0 4,-0.2 0.089 116.0 77.3 90.5 -19.9 19.4 37.6 25.4 30 32 A R T X> + 0 0 79 -3,-1.9 4,-2.2 -6,-0.2 3,-1.1 0.561 56.6 107.8 -96.9 -15.1 20.9 34.2 26.0 31 33 A G H 3X S+ 0 0 0 -4,-0.7 4,-2.4 1,-0.3 5,-0.3 0.765 79.5 46.7 -30.6 -56.1 19.2 32.2 23.2 32 34 A R H 3> S+ 0 0 208 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.866 115.0 48.2 -62.1 -37.8 22.2 31.7 20.9 33 35 A E H <> S+ 0 0 95 -3,-1.1 4,-2.2 2,-0.2 5,-0.3 0.941 112.9 46.7 -66.4 -51.9 24.4 30.7 23.8 34 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.952 115.6 43.8 -56.5 -54.6 22.0 28.2 25.2 35 37 A S H X S+ 0 0 17 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.861 112.1 54.6 -63.1 -35.3 21.2 26.5 21.9 36 38 A A H X S+ 0 0 63 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.946 116.0 35.3 -63.4 -51.2 24.8 26.4 20.9 37 39 A L H X S+ 0 0 45 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.870 113.5 59.7 -71.2 -38.2 26.1 24.6 24.0 38 40 A W H X S+ 0 0 0 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.870 105.6 48.9 -58.5 -40.3 22.9 22.5 24.3 39 41 A R H X S+ 0 0 112 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.849 110.9 49.1 -69.7 -38.2 23.5 20.9 20.9 40 42 A Q H X S+ 0 0 68 -4,-1.1 4,-3.0 2,-0.2 -2,-0.2 0.891 110.6 50.1 -69.4 -41.3 27.2 20.1 21.6 41 43 A K H X S+ 0 0 26 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.841 106.8 55.7 -65.7 -35.4 26.3 18.4 24.9 42 44 A Q H X S+ 0 0 12 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.913 112.4 43.3 -60.9 -44.8 23.6 16.4 23.1 43 45 A L H X S+ 0 0 22 -4,-1.6 4,-2.3 2,-0.2 3,-0.5 0.987 115.3 47.7 -63.1 -59.7 26.3 15.1 20.7 44 46 A E H X S+ 0 0 54 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.868 110.3 52.0 -49.9 -46.7 28.9 14.5 23.4 45 47 A Y H X S+ 0 0 52 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.869 109.2 48.9 -63.7 -36.8 26.5 12.7 25.7 46 48 A T H X S+ 0 0 4 -4,-1.5 4,-1.5 -3,-0.5 102,-0.3 0.948 117.5 42.3 -68.1 -43.0 25.4 10.3 23.0 47 49 A W H X S+ 0 0 75 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.955 116.7 46.2 -64.7 -54.4 29.0 9.6 22.0 48 50 A L H X S+ 0 0 87 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.837 112.6 49.1 -60.0 -39.7 30.3 9.3 25.6 49 51 A R H X>S+ 0 0 68 -4,-2.1 5,-3.1 -5,-0.3 4,-0.7 0.846 109.6 53.8 -70.2 -32.5 27.5 7.1 26.9 50 52 A S H <5S+ 0 0 27 -4,-1.5 3,-0.4 -5,-0.2 -2,-0.2 0.907 109.8 46.8 -66.7 -42.5 28.1 4.8 23.9 51 53 A L H <5S+ 0 0 152 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 115.0 46.0 -68.0 -34.1 31.8 4.4 24.7 52 54 A M H <5S- 0 0 110 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.524 110.5-121.8 -84.3 -11.7 31.0 3.8 28.4 53 55 A N T <5S+ 0 0 136 -4,-0.7 -3,-0.2 -3,-0.4 2,-0.1 0.900 73.5 127.9 69.7 42.1 28.3 1.3 27.5 54 56 A R < - 0 0 160 -5,-3.1 -4,-0.1 -6,-0.1 -1,-0.1 -0.517 37.8-177.3-129.4 65.3 25.7 3.4 29.4 55 57 A Y + 0 0 41 91,-0.3 2,-0.3 -5,-0.1 92,-0.1 -0.226 13.3 167.3 -68.3 149.8 22.8 4.1 27.1 56 58 A V - 0 0 35 -10,-0.0 -2,-0.1 0, 0.0 -7,-0.1 -0.926 45.5 -89.5-152.6 149.2 19.6 6.2 27.8 57 59 A N > - 0 0 72 -2,-0.3 4,-2.1 1,-0.1 3,-0.4 -0.239 39.2-105.8 -64.3 160.2 17.1 7.3 25.2 58 60 A F H > S+ 0 0 20 59,-0.6 4,-2.0 1,-0.2 5,-0.2 0.757 116.5 62.3 -57.4 -31.2 17.6 10.6 23.3 59 61 A Q H > S+ 0 0 125 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.970 108.4 41.9 -60.6 -50.1 14.8 12.3 25.3 60 62 A Q H > S+ 0 0 67 -3,-0.4 4,-2.8 1,-0.2 5,-0.2 0.946 113.8 53.0 -60.6 -48.7 16.7 11.8 28.5 61 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.788 108.6 51.0 -57.1 -32.2 20.0 12.8 26.8 62 64 A T H X S+ 0 0 10 -4,-2.0 4,-1.4 -3,-0.3 -1,-0.2 0.909 111.1 46.8 -73.3 -43.2 18.4 16.0 25.6 63 65 A E H X S+ 0 0 36 -4,-2.2 4,-2.9 2,-0.2 3,-0.4 0.939 112.7 49.4 -63.8 -47.4 17.1 16.9 29.1 64 66 A D H X S+ 0 0 20 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.888 109.2 52.7 -57.1 -45.6 20.5 16.2 30.7 65 67 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.806 112.4 45.2 -61.1 -32.7 22.2 18.3 28.0 66 68 A L H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.4 5,-0.3 0.906 109.8 54.1 -77.3 -44.5 19.9 21.2 28.8 67 69 A R H X S+ 0 0 103 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.916 112.1 44.6 -54.5 -47.7 20.2 20.9 32.6 68 70 A F H X S+ 0 0 51 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.924 110.8 55.7 -63.2 -46.2 24.0 21.0 32.3 69 71 A T H X S+ 0 0 0 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.919 112.3 40.5 -53.2 -49.8 23.8 24.0 29.8 70 72 A C H X>S+ 0 0 1 -4,-2.6 5,-2.6 2,-0.2 4,-1.2 0.927 114.9 51.2 -68.6 -43.0 21.7 26.1 32.2 71 73 A R H <5S+ 0 0 165 -4,-2.3 3,-0.3 -5,-0.3 -2,-0.2 0.887 111.1 49.9 -61.7 -37.7 23.7 25.1 35.3 72 74 A H H <5S+ 0 0 120 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.741 113.5 45.9 -70.7 -28.7 26.9 26.0 33.4 73 75 A L H <5S- 0 0 31 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.545 114.5-111.8 -92.7 -9.2 25.4 29.4 32.4 74 76 A G T <5S+ 0 0 69 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.669 70.3 143.4 85.5 18.3 24.1 30.3 35.8 75 77 A L < - 0 0 27 -5,-2.6 2,-0.7 -6,-0.2 -1,-0.3 -0.724 50.7-130.2 -95.4 141.3 20.5 30.0 34.5 76 78 A D - 0 0 149 -2,-0.3 2,-0.6 -3,-0.1 -5,-0.0 -0.819 23.9-165.6 -94.4 116.9 17.7 28.6 36.7 77 79 A L - 0 0 33 -2,-0.7 2,-0.2 -10,-0.1 -6,-0.0 -0.914 2.6-168.4-110.1 112.9 15.8 25.9 34.8 78 80 A D > - 0 0 74 -2,-0.6 4,-1.8 1,-0.1 5,-0.1 -0.514 36.0-106.3 -91.8 165.8 12.4 24.8 36.2 79 81 A A H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.916 116.4 54.9 -57.6 -48.8 10.5 21.7 34.9 80 82 A R H > S+ 0 0 184 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.949 111.7 42.3 -50.9 -57.7 7.9 23.7 33.0 81 83 A T H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.801 110.5 58.9 -62.2 -29.7 10.5 25.7 31.0 82 84 A R H X S+ 0 0 54 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.888 106.3 46.7 -68.8 -37.7 12.5 22.5 30.4 83 85 A S H X S+ 0 0 56 -4,-2.1 4,-2.6 -3,-0.4 5,-0.2 0.920 109.6 54.5 -68.9 -43.9 9.6 20.7 28.8 84 86 A T H X S+ 0 0 53 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.951 109.3 45.9 -54.8 -54.3 8.8 23.7 26.5 85 87 A L H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.872 113.8 50.2 -58.6 -38.0 12.3 24.0 25.1 86 88 A C H >< S+ 0 0 24 -4,-1.5 3,-1.3 1,-0.2 4,-0.2 0.869 105.7 55.2 -69.4 -35.6 12.4 20.2 24.6 87 89 A D H >< S+ 0 0 83 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.752 89.2 80.4 -67.7 -22.4 9.0 20.3 22.8 88 90 A A G >< S+ 0 0 2 -4,-1.3 3,-0.9 -3,-0.3 -1,-0.2 0.728 83.3 61.4 -56.8 -24.0 10.5 22.8 20.4 89 91 A Y G X S+ 0 0 20 -3,-1.3 3,-0.6 -4,-0.3 -1,-0.3 0.706 95.4 60.6 -76.9 -19.2 12.2 20.0 18.5 90 92 A L G < S+ 0 0 68 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.364 103.5 52.6 -88.7 5.8 8.8 18.4 17.6 91 93 A R G < S+ 0 0 151 -3,-0.9 -1,-0.2 -4,-0.2 2,-0.2 -0.210 75.2 143.2-136.3 43.5 7.7 21.6 15.7 92 94 A L < - 0 0 0 -3,-0.6 -76,-0.1 -74,-0.0 -3,-0.1 -0.500 43.8-131.6 -85.6 155.1 10.6 22.3 13.3 93 95 A A E -G 15 0B 59 -78,-0.7 -78,-2.7 -2,-0.2 -75,-0.1 -0.843 24.1-121.5-104.2 140.2 10.0 23.7 9.8 94 96 A P E -G 14 0B 37 0, 0.0 -80,-0.3 0, 0.0 2,-0.2 -0.289 36.0 -88.6 -76.2 167.9 11.8 22.0 6.9 95 97 A F > - 0 0 31 -82,-2.4 3,-1.4 1,-0.1 117,-0.0 -0.514 44.8-109.4 -71.8 147.8 14.2 23.8 4.6 96 98 A S T 3 S+ 0 0 105 1,-0.3 4,-0.5 -2,-0.2 -1,-0.1 0.856 116.7 47.1 -46.4 -48.0 12.3 25.4 1.6 97 99 A E T 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.711 93.4 85.1 -72.3 -16.2 13.6 23.0 -1.0 98 100 A V H <> S+ 0 0 0 -3,-1.4 4,-2.6 2,-0.2 5,-0.3 0.915 84.2 48.8 -52.5 -61.7 12.9 19.9 1.1 99 101 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.924 116.4 41.3 -46.3 -59.4 9.2 19.2 0.3 100 102 A D H > S+ 0 0 101 -4,-0.5 4,-2.6 1,-0.2 -2,-0.2 0.905 114.7 52.9 -57.2 -43.9 9.5 19.4 -3.5 101 103 A S H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.863 109.7 47.6 -62.1 -38.0 12.8 17.5 -3.4 102 104 A L H X S+ 0 0 6 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.910 112.0 50.1 -70.1 -40.7 11.3 14.6 -1.4 103 105 A R H X S+ 0 0 125 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.900 112.1 48.2 -63.9 -41.0 8.3 14.5 -3.7 104 106 A E H X S+ 0 0 68 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.898 110.1 50.1 -68.3 -39.7 10.5 14.4 -6.8 105 107 A L H <>S+ 0 0 0 -4,-2.1 5,-1.5 1,-0.2 -1,-0.2 0.856 110.5 50.2 -68.6 -33.0 12.8 11.6 -5.4 106 108 A K H ><5S+ 0 0 82 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.854 104.7 58.6 -72.5 -31.0 9.8 9.5 -4.5 107 109 A R H 3<5S+ 0 0 163 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 100.5 57.1 -61.4 -38.7 8.6 10.1 -8.1 108 110 A R T 3<5S- 0 0 112 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.376 120.8-112.9 -73.9 3.4 11.9 8.5 -9.2 109 111 A G T < 5 + 0 0 61 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.742 62.4 150.8 72.8 27.5 10.9 5.4 -7.2 110 112 A L < - 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0 0 29 1,-0.1 4,-2.1 18,-0.0 3,-0.4 -0.833 63.3-158.6 -97.8 117.6 27.1 16.2 9.9 176 178 A A H > S+ 0 0 9 -2,-0.7 4,-1.5 1,-0.2 -1,-0.1 0.815 93.2 55.6 -60.5 -35.9 30.6 15.6 8.6 177 179 A W H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.857 110.6 46.0 -67.2 -33.3 31.4 13.2 11.5 178 180 A D H > S+ 0 0 1 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.866 109.7 53.1 -75.9 -38.9 28.3 11.1 10.6 179 181 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.788 108.5 52.4 -65.4 -29.3 29.2 11.1 6.9 180 182 A T H X S+ 0 0 5 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.934 109.8 47.5 -71.9 -44.3 32.6 9.8 7.9 181 183 A G H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.947 114.7 45.5 -60.4 -50.2 31.1 7.0 9.9 182 184 A A H X>S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-1.4 0.911 110.9 54.0 -57.8 -47.2 28.8 6.1 7.1 183 185 A R H <5S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.5 47.2 -56.2 -44.2 31.6 6.3 4.6 184 186 A Y H <5S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 109.4 55.5 -66.3 -37.5 33.7 3.9 6.7 185 187 A F H <5S- 0 0 10 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.894 124.0 -99.0 -61.8 -45.1 30.8 1.5 7.0 186 188 A G T <5S+ 0 0 34 -4,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.269 75.5 133.3 142.6 -12.5 30.2 1.2 3.2 187 189 A F < - 0 0 2 -5,-1.4 2,-0.4 1,-0.1 -1,-0.3 -0.342 63.4-114.6 -67.8 140.7 27.4 3.6 2.3 188 190 A P - 0 0 24 0, 0.0 -17,-2.8 0, 0.0 2,-0.4 -0.702 46.6-138.5 -72.7 132.9 27.9 5.9 -0.6 189 191 A T E -d 171 0A 0 -2,-0.4 19,-1.9 -19,-0.2 18,-1.2 -0.856 26.9-171.9-111.8 137.1 27.9 9.3 1.1 190 192 A C E -de 172 208A 0 -19,-2.9 -17,-2.0 -2,-0.4 2,-0.5 -0.953 14.5-155.1-121.0 110.0 26.4 12.7 0.4 191 193 A W E -de 173 209A 6 17,-3.2 19,-2.9 -2,-0.5 2,-0.8 -0.762 6.0-148.5 -89.5 124.7 27.4 15.6 2.6 192 194 A I E + e 0 210A 3 -19,-2.5 2,-0.6 -2,-0.5 19,-0.2 -0.838 23.6 172.5 -93.8 106.2 24.9 18.4 2.8 193 195 A N + 0 0 10 17,-3.6 3,-0.2 -2,-0.8 -2,-0.0 -0.906 11.1 156.2-119.8 100.0 27.0 21.6 3.4 194 196 A R S S+ 0 0 69 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 0.884 71.1 45.5 -88.1 -47.6 24.9 24.7 3.2 195 197 A T S S- 0 0 114 1,-0.0 -1,-0.1 0, 0.0 16,-0.0 -0.034 112.9-101.2 -90.8 27.6 26.9 27.3 5.2 196 198 A G + 0 0 63 -3,-0.2 2,-0.1 1,-0.1 -2,-0.0 0.857 63.6 157.9 59.7 42.6 30.4 26.6 3.8 197 199 A N - 0 0 97 1,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.360 37.8-115.5 -87.7 172.5 31.9 24.5 6.6 198 200 A V - 0 0 129 -2,-0.1 -22,-0.2 1,-0.1 2,-0.1 -0.760 29.3-101.1-109.1 158.0 34.8 22.1 6.1 199 201 A F - 0 0 35 -2,-0.3 -1,-0.1 1,-0.1 -22,-0.0 -0.418 43.0 -97.6 -76.1 152.5 34.9 18.4 6.4 200 202 A E - 0 0 90 -2,-0.1 2,-1.0 1,-0.1 4,-0.4 -0.336 27.0-124.4 -67.9 152.1 36.3 16.6 9.5 201 203 A E S S+ 0 0 183 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.523 71.9 116.2 -98.1 63.7 39.9 15.3 9.4 202 204 A M S S- 0 0 100 -2,-1.0 -1,-0.2 2,-0.2 3,-0.1 -0.041 97.3 -82.8-118.8 31.4 39.3 11.7 10.3 203 205 A G S S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.590 95.6 103.4 82.1 14.6 40.5 10.1 7.1 204 206 A Q - 0 0 32 -4,-0.4 -1,-0.2 -20,-0.0 -2,-0.2 -0.862 42.9-171.2-131.4 165.0 37.4 10.5 5.0 205 207 A T - 0 0 92 -2,-0.3 -16,-0.1 -26,-0.1 4,-0.0 -0.974 33.2-114.6-148.2 133.6 35.8 12.5 2.2 206 208 A P - 0 0 25 0, 0.0 -16,-0.2 0, 0.0 3,-0.1 -0.332 18.2-126.3 -70.9 155.9 32.2 12.2 1.1 207 209 A D S S+ 0 0 69 -18,-1.2 2,-0.3 1,-0.2 -17,-0.2 0.850 98.3 17.7 -67.4 -34.2 31.4 10.9 -2.4 208 210 A W E -e 190 0A 98 -19,-1.9 -17,-3.2 2,-0.0 2,-0.5 -0.998 63.4-163.4-140.9 139.6 29.3 14.1 -3.0 209 211 A E E +e 191 0A 115 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.990 25.0 171.7-122.4 116.9 29.3 17.5 -1.2 210 212 A V E -e 192 0A 17 -19,-2.9 -17,-3.6 -2,-0.5 3,-0.1 -0.802 38.5-135.4-125.0 167.8 26.2 19.5 -2.0 211 213 A T S S- 0 0 97 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 0.470 82.2 -12.9-101.3 -3.4 24.5 22.7 -0.8 212 214 A S S > S- 0 0 6 1,-0.0 4,-0.5 -115,-0.0 3,-0.3 -0.964 77.2 -85.1-175.9 178.6 20.9 21.5 -0.6 213 215 A L H > S+ 0 0 0 -2,-0.3 4,-1.5 1,-0.2 3,-0.4 0.725 113.2 76.0 -74.3 -21.4 18.5 18.7 -1.5 214 216 A R H >> S+ 0 0 142 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.935 96.6 47.7 -53.0 -46.5 18.0 20.3 -4.9 215 217 A A H 3> S+ 0 0 18 -3,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.767 102.0 64.5 -66.5 -27.6 21.4 19.0 -6.0 216 218 A V H >< S+ 0 0 0 -4,-0.5 3,-0.9 -3,-0.4 4,-0.4 0.902 99.4 52.9 -63.2 -39.9 20.6 15.6 -4.6 217 219 A V H X< S+ 0 0 17 -4,-1.5 3,-1.8 -3,-0.5 -1,-0.2 0.893 100.5 61.3 -62.6 -41.5 17.8 15.2 -7.2 218 220 A E H 3< S+ 0 0 148 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.706 92.3 66.8 -57.3 -27.6 20.2 16.0 -10.1 219 221 A L T << 0 0 68 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.720 360.0 360.0 -68.4 -20.6 22.3 13.0 -9.2 220 222 A F < 0 0 78 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.432 360.0 360.0-104.2 360.0 19.4 10.7 -10.3