==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-12 4G07 . COMPND 2 MOLECULE: HISTIDINOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA SUIS 1330; . AUTHOR K.D'AMBROSIO,G.DE SIMONE . 427 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21532.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.7 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 1 0 1 0 0 3 3 1 1 0 5 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 3 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 PARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 2 A V 0 0 63 0, 0.0 297,-0.1 0, 0.0 293,-0.1 0.000 360.0 360.0 360.0 138.2 57.6 47.4 113.8 2 3 A T E -a 298 0A 72 295,-0.7 297,-2.6 292,-0.3 2,-0.4 -0.179 360.0-168.8 -48.7 136.0 53.8 47.9 114.0 3 4 A T E -a 299 0A 60 295,-0.2 2,-0.4 297,-0.0 297,-0.2 -0.971 9.5-171.4-138.8 121.1 52.2 45.2 116.3 4 5 A L E -a 300 0A 15 295,-2.6 297,-2.9 -2,-0.4 2,-0.5 -0.895 9.2-154.5-112.0 141.4 48.5 44.4 116.7 5 6 A R E > -a 301 0A 90 -2,-0.4 3,-2.2 295,-0.2 6,-0.2 -0.959 11.6-144.7-120.2 115.8 47.2 42.1 119.4 6 7 A Q T 3 S+ 0 0 76 295,-1.9 6,-0.2 -2,-0.5 296,-0.1 0.727 97.7 57.3 -49.5 -29.8 43.8 40.3 118.7 7 8 A T T 3 S+ 0 0 101 294,-0.3 -1,-0.3 4,-0.1 295,-0.1 0.725 78.7 116.2 -77.6 -20.1 42.7 40.5 122.3 8 9 A D S X> S- 0 0 63 -3,-2.2 3,-2.2 1,-0.2 4,-0.5 -0.196 71.5-132.5 -51.6 130.0 43.0 44.3 122.5 9 10 A P T 34 S+ 0 0 124 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.791 112.6 40.6 -57.2 -22.3 39.6 46.0 123.0 10 11 A D T 3> S+ 0 0 88 1,-0.1 4,-2.4 2,-0.1 5,-0.2 0.343 85.3 104.1-106.8 6.8 40.7 48.2 120.1 11 12 A F H <> S+ 0 0 7 -3,-2.2 4,-3.4 1,-0.2 5,-0.3 0.925 79.2 50.7 -52.3 -53.1 42.2 45.5 118.0 12 13 A E H X S+ 0 0 95 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.929 111.4 47.8 -55.4 -46.0 39.4 45.3 115.5 13 14 A Q H > S+ 0 0 148 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.913 117.1 42.9 -62.0 -41.8 39.4 49.1 115.0 14 15 A K H X S+ 0 0 113 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.872 114.4 49.9 -71.6 -38.0 43.1 49.2 114.5 15 16 A F H X S+ 0 0 0 -4,-3.4 4,-1.8 -5,-0.2 -2,-0.2 0.926 110.6 49.6 -67.2 -44.4 43.2 46.0 112.3 16 17 A A H X S+ 0 0 40 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.871 113.2 46.8 -63.0 -36.4 40.4 47.4 110.0 17 18 A A H < S+ 0 0 63 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 0.882 108.6 55.8 -71.7 -37.7 42.3 50.7 109.7 18 19 A F H < S+ 0 0 41 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.844 108.8 48.5 -60.7 -35.4 45.5 48.7 109.0 19 20 A L H < S+ 0 0 24 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.706 93.9 96.1 -79.4 -21.4 43.7 47.0 106.1 20 21 A S < 0 0 87 -4,-0.9 -3,-0.0 -3,-0.4 0, 0.0 -0.229 360.0 360.0 -71.3 160.7 42.3 50.2 104.6 21 22 A G 0 0 122 343,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.770 360.0 360.0 98.1 360.0 43.9 52.0 101.7 22 ! 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 23 29 A D 0 0 177 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-107.8 44.8 62.5 89.3 24 30 A V > + 0 0 27 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.446 360.0 102.3 -92.4 -1.3 46.7 61.5 86.1 25 31 A D H > S+ 0 0 101 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 78.3 48.6 -46.3 -52.1 43.3 60.5 84.6 26 32 A R H > S+ 0 0 222 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.930 112.4 46.6 -58.3 -50.7 43.1 63.7 82.5 27 33 A A H > S+ 0 0 39 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.892 115.7 46.4 -60.8 -41.6 46.6 63.5 81.1 28 34 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.923 106.2 57.8 -69.0 -42.4 46.2 59.8 80.2 29 35 A R H X S+ 0 0 154 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.908 110.6 45.2 -53.8 -42.1 42.8 60.3 78.7 30 36 A E H X S+ 0 0 99 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.899 112.4 49.7 -69.8 -41.5 44.4 62.7 76.3 31 37 A I H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.920 112.4 48.0 -62.9 -43.3 47.4 60.5 75.5 32 38 A V H X S+ 0 0 4 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.943 112.7 47.7 -64.4 -46.5 45.2 57.5 74.8 33 39 A D H X S+ 0 0 52 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.886 111.6 51.0 -62.1 -40.8 42.8 59.5 72.5 34 40 A R H X S+ 0 0 55 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.913 110.1 47.7 -65.3 -42.5 45.7 61.0 70.6 35 41 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 113.1 50.2 -64.8 -38.6 47.4 57.7 70.0 36 42 A R H < S+ 0 0 148 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.944 118.1 37.6 -62.4 -50.0 44.1 56.2 68.8 37 43 A R H < S+ 0 0 190 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.838 130.4 27.6 -73.2 -34.2 43.4 59.1 66.4 38 44 A E H >< S- 0 0 85 -4,-2.9 3,-0.6 -5,-0.2 2,-0.2 0.699 83.4-166.7-106.4 -22.9 46.9 59.7 65.1 39 45 A G T >X + 0 0 5 -4,-2.3 4,-1.6 -5,-0.4 3,-1.0 -0.454 62.5 8.8 79.3-141.1 48.9 56.4 65.4 40 46 A D H 3> S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.834 123.2 58.3 -50.6 -42.3 52.7 56.1 65.0 41 47 A S H <> S+ 0 0 68 -3,-0.6 4,-1.8 1,-0.2 -1,-0.3 0.869 108.5 45.6 -62.0 -34.7 53.4 59.8 65.0 42 48 A A H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 -1,-0.2 0.848 110.2 55.6 -75.8 -30.4 51.8 60.3 68.4 43 49 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.950 110.5 44.5 -62.6 -50.0 53.6 57.2 69.7 44 50 A L H X S+ 0 0 21 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.895 111.9 54.7 -62.1 -38.5 57.0 58.7 68.7 45 51 A D H X S+ 0 0 37 -4,-1.8 4,-1.9 -5,-0.2 3,-0.3 0.964 111.9 41.0 -60.2 -54.8 55.9 62.0 70.2 46 52 A Y H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.847 110.2 58.6 -64.6 -33.2 55.1 60.6 73.6 47 53 A S H X>S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 6,-0.7 0.878 106.0 49.9 -65.0 -34.5 58.2 58.3 73.6 48 54 A R H X5S+ 0 0 99 -4,-1.7 4,-1.4 -3,-0.3 -2,-0.2 0.970 111.8 47.5 -66.6 -51.6 60.4 61.4 73.2 49 55 A R H <5S+ 0 0 133 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 128.5 23.1 -56.6 -40.6 58.7 63.2 76.1 50 56 A F H <5S+ 0 0 81 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.756 133.7 29.7-103.4 -27.8 58.9 60.2 78.5 51 57 A D H <5S- 0 0 16 -4,-2.9 108,-3.2 -5,-0.3 109,-0.4 0.463 89.6-133.3-109.8 -4.8 61.7 57.9 77.3 52 58 A R << + 0 0 138 -4,-1.4 2,-0.3 -5,-0.6 -4,-0.2 0.932 63.6 129.5 50.6 49.8 63.9 60.5 75.7 53 59 A I - 0 0 19 -6,-0.7 2,-0.7 -9,-0.2 -1,-0.2 -0.964 58.0-139.7-134.1 150.5 64.3 58.2 72.7 54 60 A D >> - 0 0 48 -2,-0.3 4,-2.0 1,-0.1 3,-1.8 -0.824 15.1-175.6-112.7 90.5 63.9 58.8 69.0 55 61 A L H 3> S+ 0 0 4 -2,-0.7 4,-2.3 1,-0.3 -1,-0.1 0.689 78.9 72.1 -59.9 -19.3 62.2 55.8 67.6 56 62 A E H 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.872 110.7 31.2 -63.5 -34.1 62.6 57.3 64.1 57 63 A K H <4 S+ 0 0 187 -3,-1.8 -2,-0.2 2,-0.1 -1,-0.2 0.854 129.4 36.0 -90.6 -41.0 66.3 56.4 64.4 58 64 A T H < S- 0 0 58 -4,-2.0 -3,-0.2 1,-0.1 -2,-0.2 0.797 107.9-127.0 -82.8 -29.3 66.2 53.3 66.6 59 65 A G < - 0 0 27 -4,-2.3 121,-0.1 -5,-0.3 -3,-0.1 -0.015 10.3-106.0 95.6 153.7 63.0 51.9 65.1 60 66 A I S S+ 0 0 20 -4,-0.1 120,-2.9 119,-0.1 2,-0.2 0.915 100.0 61.1 -81.1 -47.3 59.8 50.9 67.0 61 67 A A B S-F 179 0B 45 118,-0.2 2,-0.3 -6,-0.1 118,-0.2 -0.582 82.4-127.8 -84.7 142.6 60.3 47.1 66.6 62 68 A V - 0 0 14 116,-2.6 116,-0.4 -2,-0.2 2,-0.1 -0.698 31.3-126.8 -85.2 140.6 63.3 45.3 68.1 63 69 A T > - 0 0 68 -2,-0.3 4,-1.6 1,-0.1 3,-0.2 -0.484 13.5-118.4 -88.9 160.4 65.0 43.1 65.5 64 70 A E H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.873 117.7 57.6 -62.0 -34.2 65.8 39.4 65.7 65 71 A A H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.858 104.1 50.4 -63.6 -38.0 69.5 40.5 65.4 66 72 A E H > S+ 0 0 74 -3,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.837 111.1 49.2 -69.9 -31.1 69.1 42.6 68.4 67 73 A I H X S+ 0 0 19 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.871 108.8 53.0 -75.1 -36.5 67.7 39.7 70.3 68 74 A D H X S+ 0 0 67 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.927 106.8 51.7 -62.4 -45.4 70.5 37.4 69.2 69 75 A A H X S+ 0 0 57 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 105.6 57.3 -58.7 -35.9 73.1 39.9 70.5 70 76 A A H X S+ 0 0 5 -4,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.896 105.4 50.0 -62.2 -42.3 71.2 39.8 73.8 71 77 A F H >< S+ 0 0 41 -4,-1.6 3,-0.9 1,-0.2 -2,-0.2 0.932 109.7 49.5 -61.8 -48.3 71.6 36.1 74.0 72 78 A D H 3< S+ 0 0 137 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.849 108.8 53.3 -61.1 -36.1 75.4 36.2 73.4 73 79 A A H 3< S+ 0 0 79 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.675 92.5 95.3 -73.9 -15.8 75.9 38.9 76.0 74 80 A A S << S- 0 0 14 -3,-0.9 2,-0.0 -4,-0.8 5,-0.0 -0.550 84.7-110.4 -81.7 138.2 74.1 36.8 78.6 75 81 A P >> - 0 0 77 0, 0.0 4,-1.9 0, 0.0 3,-1.0 -0.384 28.0-122.2 -62.9 141.5 76.1 34.6 81.0 76 82 A A H 3> S+ 0 0 79 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.886 110.2 53.4 -52.9 -44.6 75.6 30.9 80.2 77 83 A S H 3> S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.759 107.8 51.5 -65.6 -24.5 74.3 30.1 83.7 78 84 A T H <> S+ 0 0 47 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.879 110.6 47.1 -78.6 -40.2 71.7 32.8 83.5 79 85 A V H X S+ 0 0 17 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.930 114.9 48.3 -65.6 -41.8 70.4 31.6 80.1 80 86 A E H X S+ 0 0 112 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.904 110.5 49.9 -64.4 -41.3 70.3 28.1 81.5 81 87 A A H X S+ 0 0 56 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.901 109.7 51.2 -63.8 -41.8 68.5 29.2 84.7 82 88 A L H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.858 109.3 52.0 -64.3 -34.1 65.9 31.0 82.6 83 89 A K H X S+ 0 0 71 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.882 107.9 49.6 -70.9 -39.2 65.4 27.9 80.5 84 90 A L H X S+ 0 0 97 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.944 113.6 47.4 -62.9 -45.4 64.8 25.7 83.6 85 91 A A H X S+ 0 0 7 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.941 111.8 50.1 -60.7 -45.9 62.3 28.2 84.8 86 92 A R H X S+ 0 0 52 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.908 111.7 48.6 -59.1 -41.6 60.6 28.4 81.4 87 93 A D H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.888 112.2 47.4 -66.7 -39.3 60.4 24.6 81.3 88 94 A R H X S+ 0 0 129 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.916 113.5 48.1 -67.2 -45.8 58.9 24.3 84.8 89 95 A I H X S+ 0 0 1 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.921 112.5 50.0 -61.0 -44.6 56.3 27.1 84.2 90 96 A E H X S+ 0 0 67 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.930 110.9 46.8 -61.0 -47.3 55.3 25.5 80.8 91 97 A K H X S+ 0 0 167 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.905 113.9 49.4 -63.7 -40.9 54.8 22.0 82.2 92 98 A H H >< S+ 0 0 60 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.952 112.8 45.1 -63.2 -50.7 52.8 23.3 85.1 93 99 A H H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 4,-0.3 0.841 102.3 65.3 -64.0 -34.2 50.5 25.4 83.0 94 100 A A H >< S+ 0 0 43 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.866 95.9 59.7 -55.8 -36.7 49.9 22.7 80.4 95 101 A R T << S+ 0 0 219 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.745 99.8 57.4 -63.6 -23.6 48.2 20.7 83.2 96 102 A Q T < S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.441 72.2 129.4 -90.1 2.2 45.7 23.5 83.6 97 103 A L < - 0 0 66 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.302 62.2-117.2 -57.1 134.2 44.4 23.6 80.0 98 104 A P - 0 0 32 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.419 19.8-134.8 -75.7 151.1 40.6 23.4 80.0 99 105 A K - 0 0 179 -2,-0.1 2,-0.0 15,-0.1 0, 0.0 -0.867 19.5-119.8-105.4 138.1 38.7 20.5 78.5 100 106 A D - 0 0 89 -2,-0.4 2,-0.3 15,-0.1 14,-0.2 -0.327 24.0-154.4 -69.6 159.6 35.6 21.0 76.2 101 107 A D E +K 113 0C 89 12,-3.0 12,-0.9 2,-0.0 2,-0.4 -0.840 19.3 167.2-144.0 104.0 32.3 19.5 77.3 102 108 A R E +K 112 0C 151 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.953 17.5 151.1-117.4 131.7 29.5 18.6 74.9 103 109 A Y E -K 111 0C 119 8,-3.0 8,-2.8 -2,-0.4 2,-0.5 -0.958 41.2-119.8-152.3 171.6 26.6 16.5 76.2 104 110 A T E -K 110 0C 91 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.973 28.8-148.8-119.7 125.5 22.9 15.7 75.8 105 111 A D > - 0 0 53 4,-2.4 3,-1.8 -2,-0.5 0, 0.0 -0.220 38.5 -84.5 -85.3-177.0 20.5 16.2 78.7 106 112 A A T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 128.9 52.6 -59.6 -28.1 17.4 14.2 79.6 107 113 A L T 3 S- 0 0 83 2,-0.1 -1,-0.3 284,-0.0 287,-0.1 0.487 120.3-108.5 -85.8 -5.1 15.2 16.3 77.2 108 114 A G < + 0 0 23 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.578 68.0 150.8 87.9 8.6 17.6 15.6 74.4 109 115 A V - 0 0 4 278,-0.1 -4,-2.4 282,-0.1 2,-0.6 -0.588 43.3-134.9 -74.8 136.5 19.0 19.2 74.4 110 116 A E E -KL 104 386C 75 276,-2.3 276,-1.9 -2,-0.3 2,-0.4 -0.857 26.9-175.6 -97.7 117.9 22.6 19.3 73.2 111 117 A L E -KL 103 385C 36 -8,-2.8 -8,-3.0 -2,-0.6 2,-0.3 -0.917 2.6-175.6-115.6 141.2 24.7 21.6 75.4 112 118 A G E -KL 102 384C 12 272,-2.2 272,-2.1 -2,-0.4 2,-0.4 -0.961 23.5-166.4-142.8 157.0 28.3 22.4 74.9 113 119 A S E +KL 101 383C 15 -12,-0.9 -12,-3.0 -2,-0.3 2,-0.4 -0.973 20.7 178.5-139.2 118.4 31.3 24.2 76.3 114 120 A R E - L 0 382C 95 268,-2.2 268,-2.6 -2,-0.4 2,-0.4 -0.989 14.0-149.3-129.2 135.3 34.3 24.8 74.0 115 121 A W E + L 0 381C 49 -2,-0.4 2,-0.3 266,-0.2 266,-0.2 -0.829 16.6 173.0-108.1 137.9 37.6 26.6 74.7 116 122 A T E - L 0 380C 45 264,-2.2 264,-2.4 -2,-0.4 2,-0.2 -0.944 33.1-106.7-134.3 158.0 39.7 28.5 72.3 117 123 A A E - L 0 379C 23 -2,-0.3 262,-0.3 262,-0.2 2,-0.2 -0.527 37.8-104.5 -82.7 151.9 42.8 30.7 72.7 118 124 A I - 0 0 21 260,-3.0 31,-0.4 -2,-0.2 32,-0.2 -0.577 33.3-132.4 -70.8 136.4 42.7 34.5 72.4 119 125 A E S S+ 0 0 144 -2,-0.2 31,-2.0 1,-0.2 2,-0.4 0.882 80.7 13.1 -63.7 -41.9 44.2 35.2 68.9 120 126 A A E -g 150 0B 11 29,-0.2 81,-2.4 28,-0.1 82,-0.7 -0.999 66.5-176.5-140.7 135.0 46.6 38.0 69.9 121 127 A V E -gh 151 202B 0 29,-3.0 31,-3.5 -2,-0.4 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99.1 51.9 -56.1 -42.5 54.5 31.3 78.9 142 148 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.880 109.4 51.0 -64.3 -33.0 50.9 30.7 79.8 143 149 A A H >>S+ 0 0 0 -4,-0.5 5,-2.4 -3,-0.4 4,-0.9 0.918 110.5 49.8 -67.3 -39.8 49.8 32.5 76.6 144 150 A K H ><5S+ 0 0 96 -4,-2.3 3,-0.7 29,-0.3 -1,-0.2 0.933 112.7 46.2 -63.3 -43.0 52.2 30.2 74.7 145 151 A V H 3<5S+ 0 0 23 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.903 108.5 56.4 -66.1 -38.2 50.7 27.1 76.4 146 152 A A H 3<5S- 0 0 9 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.669 118.7-110.3 -66.4 -19.6 47.1 28.3 75.8 147 153 A G T <<5 + 0 0 38 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.705 49.6 174.9 97.1 20.2 47.8 28.5 72.1 148 154 A V < - 0 0 12 -5,-2.4 -1,-0.2 1,-0.2 -29,-0.2 -0.477 21.5-152.1 -63.0 125.3 47.8 32.2 71.5 149 155 A D S S+ 0 0 128 -31,-0.4 2,-0.5 -2,-0.3 -29,-0.2 0.847 79.6 32.8 -68.3 -37.9 48.8 32.8 67.9 150 156 A R E -g 120 0B 44 -31,-2.0 -29,-3.0 -32,-0.2 2,-0.6 -0.942 64.8-175.8-129.2 111.8 50.3 36.3 68.3 151 157 A I E -g 121 0B 5 -2,-0.5 25,-2.7 23,-0.3 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-0.935 11.0-155.0-113.9 140.4 17.4 22.2 70.1 388 397 A G > - 0 0 33 -2,-0.4 4,-2.2 -280,-0.1 5,-0.2 -0.457 44.7 -84.8 -98.9-178.8 15.5 19.9 67.8 389 398 A S H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.896 128.8 52.4 -55.3 -44.3 11.7 20.2 67.2 390 399 A E H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.935 110.8 47.1 -57.6 -48.8 10.8 18.1 70.3 391 400 A Q H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.874 111.9 49.1 -61.7 -42.2 13.0 20.1 72.6 392 401 A L H X S+ 0 0 34 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.888 110.4 52.0 -66.3 -36.1 11.6 23.5 71.3 393 402 A R H < S+ 0 0 57 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 114.2 44.3 -65.4 -37.8 8.1 22.1 71.8 394 403 A A H < S+ 0 0 65 -4,-2.2 4,-0.2 -5,-0.2 -2,-0.2 0.824 128.3 24.6 -75.6 -34.4 9.1 21.1 75.4 395 404 A L H X S+ 0 0 74 -4,-2.5 4,-1.6 -5,-0.1 3,-0.2 0.669 102.6 80.9-107.0 -18.5 10.9 24.3 76.3 396 405 A G H X S+ 0 0 2 -4,-2.9 4,-2.6 -5,-0.3 5,-0.2 0.892 86.7 56.4 -56.4 -47.4 9.4 26.9 74.0 397 406 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.924 107.1 50.0 -53.6 -44.9 6.2 27.6 76.0 398 407 A A H > S+ 0 0 59 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 110.8 50.3 -59.8 -41.7 8.1 28.5 79.1 399 408 A A H X S+ 0 0 44 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.917 110.2 49.3 -62.2 -44.6 10.3 30.9 77.1 400 409 A I H X S+ 0 0 20 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.931 108.8 53.6 -60.6 -46.0 7.2 32.6 75.6 401 410 A E H X S+ 0 0 141 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.935 113.7 41.7 -54.5 -51.0 5.6 33.0 79.0 402 411 A I H X S+ 0 0 97 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.917 113.3 52.6 -65.4 -44.5 8.7 34.7 80.4 403 412 A A H <>S+ 0 0 10 -4,-2.8 5,-3.0 1,-0.2 4,-0.2 0.916 112.7 44.8 -58.9 -44.1 9.3 36.9 77.2 404 413 A R H ><5S+ 0 0 127 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.880 108.9 55.4 -69.1 -36.1 5.7 38.1 77.3 405 414 A A H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.766 110.7 48.3 -66.4 -22.1 5.9 38.8 81.1 406 415 A E T 3<5S- 0 0 131 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.426 116.6-114.8 -95.5 -0.2 9.0 40.9 80.2 407 416 A G T < 5S+ 0 0 51 -3,-1.3 2,-1.1 -4,-0.2 -3,-0.2 0.692 73.2 135.9 75.6 18.6 7.2 42.8 77.4 408 417 A L >< + 0 0 69 -5,-3.0 4,-1.9 -6,-0.2 -1,-0.2 -0.654 19.0 163.7-101.9 78.3 9.6 41.3 74.8 409 418 A D H > S+ 0 0 103 -2,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.829 72.0 54.4 -65.0 -38.6 7.1 40.4 72.1 410 419 A A H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 109.4 50.7 -63.2 -39.3 9.6 39.9 69.3 411 420 A H H > S+ 0 0 118 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.918 111.7 47.0 -63.0 -43.3 11.4 37.5 71.6 412 421 A A H >X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.9 0.912 110.3 53.9 -64.7 -41.2 8.2 35.6 72.2 413 422 A Q H 3X S+ 0 0 91 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.837 96.5 63.1 -64.0 -34.8 7.4 35.6 68.5 414 423 A S H 3< S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.776 114.6 36.2 -62.9 -22.8 10.6 34.0 67.4 415 424 A V H XX S+ 0 0 22 -3,-0.9 4,-2.6 -4,-0.6 3,-1.0 0.870 116.6 51.6 -91.5 -47.7 9.5 31.0 69.4 416 425 A A H 3X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.3 5,-0.2 0.865 102.4 59.8 -57.3 -38.8 5.8 31.2 68.7 417 426 A I H 3X S+ 0 0 107 -4,-3.1 4,-0.5 1,-0.2 -1,-0.3 0.810 112.6 40.5 -62.3 -27.6 6.4 31.4 64.9 418 427 A R H <> S+ 0 0 149 -3,-1.0 4,-2.3 -5,-0.3 3,-0.4 0.878 115.7 48.1 -86.1 -44.5 8.1 28.0 65.1 419 428 A L H X S+ 0 0 17 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.867 103.4 63.1 -65.4 -35.7 5.7 26.4 67.6 420 429 A N H < S+ 0 0 100 -4,-3.0 4,-0.3 -5,-0.2 -1,-0.2 0.841 112.3 35.2 -58.6 -36.2 2.6 27.5 65.6 421 430 A L H >< S+ 0 0 127 -4,-0.5 3,-1.0 -3,-0.4 -1,-0.2 0.894 118.1 51.6 -82.6 -43.2 3.7 25.4 62.6 422 431 A L H >< S+ 0 0 35 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.829 95.6 70.7 -61.5 -36.7 5.2 22.5 64.6 423 432 A E G >< S+ 0 0 64 -4,-2.9 3,-2.2 1,-0.3 -1,-0.2 0.737 81.1 72.5 -57.4 -26.9 2.1 22.1 66.8 424 433 A H G < S+ 0 0 120 -3,-1.0 3,-0.3 1,-0.3 -1,-0.3 0.623 96.9 52.3 -67.4 -8.9 0.0 20.6 64.0 425 434 A H G < S+ 0 0 142 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.263 106.8 55.2-105.3 7.6 2.1 17.5 64.3 426 435 A H X + 0 0 8 -3,-2.2 3,-1.0 1,-0.1 -1,-0.2 -0.019 59.9 118.2-130.3 32.1 1.5 17.2 68.0 427 436 A H T 3 + 0 0 135 -3,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.629 67.1 72.1 -75.1 -9.5 -2.3 17.1 68.5 428 437 A H T 3 0 0 148 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.673 360.0 360.0 -77.8 -18.4 -2.1 13.6 70.0 429 438 A H < 0 0 116 -3,-1.0 -1,-0.2 0, 0.0 -2,-0.2 0.057 360.0 360.0-148.9 360.0 -0.6 15.0 73.3