==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-SEP-08 3ENN . COMPND 2 MOLECULE: GLUCOSE/RIBITOL DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BRUCELLA MELITENSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 949 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30886.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 761 80.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 100 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 3 3 0 1 1 0 0 8 8 0 2 2 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 12 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 S > 0 0 139 0, 0.0 3,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.6 4.7 44.6 -1.1 2 1 A M T 3 + 0 0 28 1,-0.2 3,-0.1 242,-0.1 242,-0.1 -0.620 360.0 10.0 -94.2 139.8 1.1 43.4 -1.0 3 2 A F T 3 S+ 0 0 0 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.766 86.0 170.1 61.0 31.0 0.1 39.7 -0.9 4 3 A D < - 0 0 61 -3,-0.7 216,-0.4 1,-0.1 -1,-0.2 -0.558 22.0-179.1 -73.4 130.1 3.8 38.9 -0.3 5 4 A L > + 0 0 1 25,-2.4 3,-2.2 -2,-0.3 28,-0.3 0.107 21.9 155.8-117.1 19.3 4.4 35.3 0.7 6 5 A T T 3 S+ 0 0 89 24,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.234 73.7 5.8 -51.5 120.9 8.2 35.5 1.1 7 6 A G T 3 S+ 0 0 37 24,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.245 95.5 133.2 89.7 -13.1 9.4 32.8 3.5 8 7 A R < - 0 0 67 -3,-2.2 25,-3.5 19,-0.1 2,-0.5 -0.517 52.2-136.1 -73.7 135.5 6.0 31.1 3.8 9 8 A K E -a 33 0A 31 -2,-0.2 75,-2.8 23,-0.2 74,-2.2 -0.826 24.6-175.3 -95.1 125.5 6.0 27.4 3.4 10 9 A A E -ab 34 84A 0 23,-3.1 25,-3.9 -2,-0.5 2,-0.5 -0.967 15.6-158.5-124.1 132.0 3.2 26.0 1.2 11 10 A L E -ab 35 85A 0 73,-3.1 75,-3.3 -2,-0.4 2,-0.5 -0.962 12.6-168.5-105.1 128.1 2.3 22.4 0.5 12 11 A V E > -ab 36 86A 0 23,-3.0 25,-2.9 -2,-0.5 3,-0.6 -0.952 7.7-151.9-120.5 115.5 0.3 22.0 -2.7 13 12 A T T 3 S+ 0 0 3 73,-2.4 25,-0.1 -2,-0.5 75,-0.1 -0.480 81.6 21.2 -82.7 155.3 -1.3 18.6 -3.4 14 13 A G T > S+ 0 0 14 74,-0.1 3,-0.7 -2,-0.1 6,-0.6 0.886 79.0 158.9 53.3 41.6 -1.9 17.4 -7.0 15 14 A A T < + 0 0 0 22,-2.8 23,-0.2 -3,-0.6 9,-0.1 0.661 62.6 60.3 -74.2 -17.0 0.8 19.9 -7.9 16 15 A T T 3 S+ 0 0 58 21,-0.5 -1,-0.2 4,-0.1 22,-0.1 0.744 88.7 91.3 -80.5 -23.3 1.6 18.2 -11.3 17 16 A G S <> S- 0 0 36 -3,-0.7 4,-3.5 1,-0.1 5,-0.3 -0.302 97.5-101.4 -63.2 155.3 -2.0 18.8 -12.4 18 17 A G H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.876 122.3 38.9 -42.3 -55.7 -2.9 22.0 -14.3 19 18 A L H > S+ 0 0 34 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.929 116.2 51.1 -64.9 -48.3 -4.4 23.8 -11.3 20 19 A G H > S+ 0 0 0 -6,-0.6 4,-2.9 1,-0.2 -5,-0.2 0.910 112.0 47.7 -57.1 -44.4 -1.8 22.4 -8.8 21 20 A E H X S+ 0 0 63 -4,-3.5 4,-2.7 -7,-0.3 -1,-0.2 0.925 112.9 47.2 -62.6 -47.0 1.0 23.6 -11.1 22 21 A A H X S+ 0 0 16 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.904 113.8 48.4 -60.4 -42.9 -0.5 27.0 -11.6 23 22 A I H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.957 111.5 49.6 -62.4 -49.7 -1.1 27.4 -7.9 24 23 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.890 111.5 50.6 -56.5 -42.6 2.5 26.2 -7.1 25 24 A R H X S+ 0 0 78 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.881 110.0 48.0 -59.7 -46.0 3.8 28.8 -9.6 26 25 A A H X S+ 0 0 11 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.921 114.2 46.1 -65.6 -41.7 1.8 31.7 -8.2 27 26 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.920 114.7 47.5 -66.9 -43.9 2.9 30.9 -4.6 28 27 A H H ><5S+ 0 0 15 -4,-2.3 3,-2.4 -5,-0.3 -2,-0.2 0.952 108.9 54.3 -60.9 -49.7 6.5 30.5 -5.7 29 28 A A H 3<5S+ 0 0 74 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.2 55.8 -51.6 -33.8 6.3 33.7 -7.7 30 29 A Q T 3<5S- 0 0 24 -4,-1.6 -25,-2.4 -5,-0.1 -1,-0.3 0.274 129.7 -94.7 -85.7 10.5 5.1 35.4 -4.4 31 30 A G T < 5S+ 0 0 11 -3,-2.4 -24,-1.8 1,-0.3 -3,-0.2 0.418 75.7 148.6 95.3 -0.0 8.2 34.3 -2.6 32 31 A A < - 0 0 0 -5,-2.7 2,-0.7 -26,-0.2 -1,-0.3 -0.293 51.4-128.1 -68.7 152.1 6.7 31.1 -1.1 33 32 A I E -a 9 0A 40 -25,-3.5 -23,-3.1 -28,-0.3 2,-0.5 -0.919 38.7-156.0 -92.6 118.7 8.7 28.0 -0.3 34 33 A V E -ac 10 55A 0 20,-2.7 22,-2.4 -2,-0.7 2,-0.5 -0.889 19.1-158.3-113.6 127.1 6.5 25.4 -2.1 35 34 A G E -ac 11 56A 0 -25,-3.9 -23,-3.0 -2,-0.5 2,-0.6 -0.892 17.5-149.6 -97.2 126.5 6.2 21.7 -1.5 36 35 A L E -ac 12 57A 0 20,-3.2 22,-3.3 -2,-0.5 2,-0.4 -0.901 10.8-165.4 -99.3 115.9 4.9 19.9 -4.6 37 36 A H E + c 0 58A 3 -25,-2.9 -22,-2.8 -2,-0.6 -21,-0.5 -0.791 25.8 133.6 -94.8 147.2 2.8 16.8 -3.9 38 37 A G E - c 0 59A 1 20,-0.9 22,-2.6 -2,-0.4 3,-0.1 -0.918 60.4-107.1-166.4-173.0 2.0 14.3 -6.6 39 38 A T S S+ 0 0 105 -2,-0.3 2,-0.6 20,-0.3 22,-0.1 0.774 102.5 56.3 -96.8 -32.0 2.0 10.6 -7.2 40 39 A R > - 0 0 127 1,-0.1 4,-1.8 20,-0.1 3,-0.4 -0.880 62.5-162.9-112.4 108.9 5.1 10.5 -9.5 41 40 A E H > S+ 0 0 86 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.807 88.0 62.2 -58.3 -33.8 8.3 12.0 -8.2 42 41 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 107.7 41.8 -58.5 -51.2 9.8 12.2 -11.7 43 42 A K H > S+ 0 0 86 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.857 114.4 52.2 -65.7 -37.8 7.2 14.6 -13.0 44 43 A L H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.905 106.8 53.6 -64.2 -42.5 7.3 16.6 -9.7 45 44 A K H X S+ 0 0 121 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.868 106.4 52.6 -62.9 -36.7 11.1 16.9 -10.0 46 45 A E H X S+ 0 0 99 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.922 111.9 44.8 -61.4 -47.5 10.7 18.4 -13.5 47 46 A L H X S+ 0 0 11 -4,-1.8 4,-2.0 2,-0.2 5,-0.3 0.937 112.5 53.0 -60.3 -47.7 8.2 21.0 -12.2 48 47 A A H X S+ 0 0 16 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.895 111.2 46.3 -51.4 -44.3 10.6 21.6 -9.3 49 48 A A H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.8 50.5 -69.3 -37.6 13.5 22.1 -11.8 50 49 A E H < S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.754 114.8 44.1 -72.0 -27.4 11.4 24.5 -14.0 51 50 A L H < S- 0 0 20 -4,-2.0 2,-0.5 1,-0.2 -2,-0.2 0.841 99.6-159.1 -85.3 -40.9 10.4 26.5 -10.9 52 51 A G < + 0 0 37 -4,-2.6 3,-0.3 -5,-0.3 -1,-0.2 -0.864 43.5 18.4 111.2-125.0 13.9 26.6 -9.5 53 52 A E S S+ 0 0 109 -2,-0.5 3,-0.1 1,-0.2 0, 0.0 -0.109 104.9 43.8 -78.5 175.4 14.8 27.3 -5.9 54 53 A R S S+ 0 0 91 1,-0.2 -20,-2.7 -21,-0.1 2,-0.4 0.833 85.0 128.7 57.9 35.8 12.5 27.1 -2.8 55 54 A I E -c 34 0A 32 -3,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.989 36.4-174.8-128.0 135.0 10.9 23.8 -3.9 56 55 A F E -c 35 0A 62 -22,-2.4 -20,-3.2 -2,-0.4 2,-0.4 -0.889 16.2-144.2-115.6 152.5 10.3 20.5 -2.2 57 56 A V E +c 36 0A 23 -2,-0.3 -20,-0.2 -22,-0.2 -16,-0.1 -0.983 18.3 176.5-121.9 128.0 8.9 17.4 -3.8 58 57 A F E -c 37 0A 3 -22,-3.3 -20,-0.9 -2,-0.4 2,-0.1 -0.741 9.3-165.8-135.3 87.0 6.7 15.0 -1.9 59 58 A P E +c 38 0A 49 0, 0.0 2,-0.3 0, 0.0 -20,-0.3 -0.448 22.0 154.0 -69.1 141.9 5.1 12.0 -3.8 60 59 A A - 0 0 12 -22,-2.6 2,-0.8 -2,-0.1 -20,-0.1 -0.895 46.3-123.8-166.6 139.2 2.3 10.2 -2.0 61 60 A N > - 0 0 87 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.813 21.6-159.1 -84.0 111.7 -0.7 8.2 -3.0 62 61 A L T 3 S+ 0 0 13 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.592 88.6 65.2 -73.1 -9.2 -3.6 10.1 -1.4 63 62 A S T 3 S+ 0 0 70 1,-0.1 2,-0.8 52,-0.0 -1,-0.3 0.574 87.7 80.9 -82.4 -8.5 -5.8 7.0 -1.5 64 63 A D S <> S- 0 0 82 -3,-1.7 4,-1.9 1,-0.2 5,-0.2 -0.859 70.3-159.8-100.6 108.8 -3.3 5.4 1.0 65 64 A R H > S+ 0 0 59 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.881 90.6 49.5 -61.9 -38.6 -4.2 6.7 4.4 66 65 A E H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.884 110.2 51.4 -69.5 -32.4 -0.8 6.0 6.0 67 66 A A H > S+ 0 0 24 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.817 106.4 54.8 -71.8 -29.1 0.9 7.7 3.1 68 67 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.914 110.8 45.5 -65.9 -44.9 -1.3 10.8 3.6 69 68 A K H X S+ 0 0 32 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.934 113.6 48.4 -62.5 -48.5 -0.2 11.0 7.2 70 69 A A H X S+ 0 0 50 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.838 109.4 55.3 -60.6 -34.9 3.4 10.4 6.3 71 70 A L H X S+ 0 0 6 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.959 109.4 44.8 -62.3 -53.3 3.0 13.1 3.6 72 71 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.944 116.6 46.7 -56.1 -49.0 1.8 15.7 6.1 73 72 A Q H X S+ 0 0 106 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.910 114.5 47.0 -61.1 -42.7 4.5 14.7 8.6 74 73 A K H X S+ 0 0 109 -4,-2.9 4,-3.3 2,-0.2 5,-0.4 0.920 113.8 46.1 -66.6 -46.6 7.2 14.8 5.9 75 74 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 6,-0.4 0.940 114.5 49.1 -59.7 -45.9 6.2 18.1 4.4 76 75 A E H X>S+ 0 0 41 -4,-2.7 5,-2.5 -5,-0.3 4,-0.6 0.918 117.5 42.3 -58.7 -45.6 6.0 19.5 8.0 77 76 A E H ><5S+ 0 0 151 -4,-2.6 3,-0.7 -5,-0.2 -2,-0.2 0.980 119.1 39.0 -65.0 -59.6 9.4 18.1 8.7 78 77 A E H 3<5S+ 0 0 92 -4,-3.3 -3,-0.2 1,-0.3 -2,-0.2 0.811 117.1 49.0 -69.2 -32.0 11.3 19.0 5.6 79 78 A M H 3<5S- 0 0 11 -4,-2.4 -1,-0.3 -5,-0.4 -2,-0.2 0.621 110.4-120.0 -82.7 -11.8 9.8 22.4 5.0 80 79 A G T <<5S- 0 0 56 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.869 84.0 -15.2 77.7 36.4 10.5 23.3 8.6 81 80 A G S - 0 0 75 -2,-0.2 3,-1.2 1,-0.1 4,-0.1 -0.290 47.9-124.3 -58.6 139.3 -24.7 8.1 -13.6 97 96 A F G > S+ 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.820 108.4 57.0 -57.7 -38.1 -25.6 7.5 -10.0 98 97 A V G 3 S+ 0 0 42 1,-0.3 -1,-0.3 510,-0.1 511,-0.1 0.721 113.0 42.1 -70.0 -20.4 -27.7 4.3 -10.6 99 98 A R G < S+ 0 0 203 -3,-1.2 2,-0.7 2,-0.1 -1,-0.3 0.236 89.1 123.9-100.0 7.1 -24.6 2.8 -12.3 100 99 A M < - 0 0 3 -3,-1.4 -5,-0.1 -4,-0.1 -3,-0.1 -0.617 52.4-146.3 -85.3 113.6 -22.3 4.1 -9.5 101 100 A S > - 0 0 35 -2,-0.7 4,-2.0 1,-0.1 5,-0.2 -0.201 23.9-113.0 -73.0 161.5 -20.3 1.4 -7.8 102 101 A D H > S+ 0 0 14 1,-0.2 4,-4.0 2,-0.2 5,-0.2 0.899 120.0 52.5 -56.3 -41.3 -19.3 1.4 -4.2 103 102 A E H > S+ 0 0 128 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.873 106.1 51.1 -68.4 -39.1 -15.7 1.8 -5.4 104 103 A D H > S+ 0 0 51 2,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.873 118.1 40.4 -64.1 -38.3 -16.4 4.8 -7.6 105 104 A W H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.968 119.3 44.6 -67.7 -58.9 -18.2 6.4 -4.6 106 105 A D H X S+ 0 0 50 -4,-4.0 4,-2.7 1,-0.2 5,-0.2 0.865 111.8 52.7 -56.5 -43.1 -15.6 5.3 -2.0 107 106 A A H X S+ 0 0 31 -4,-3.1 4,-2.2 -5,-0.2 5,-0.3 0.939 113.2 43.0 -61.5 -47.3 -12.6 6.2 -4.2 108 107 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -5,-0.3 5,-0.3 0.926 117.1 46.0 -65.1 -44.6 -13.8 9.8 -4.7 109 108 A L H X>S+ 0 0 11 -4,-2.6 5,-2.2 2,-0.2 4,-1.8 0.914 113.1 51.0 -66.9 -39.8 -14.9 10.3 -1.1 110 109 A T H <>S+ 0 0 57 -4,-2.7 5,-3.1 -5,-0.2 6,-0.3 0.957 120.5 31.5 -61.2 -54.6 -11.6 8.8 0.2 111 110 A V H <5S+ 0 0 11 -4,-2.2 5,-0.3 -5,-0.2 -2,-0.2 0.942 125.2 42.3 -69.7 -48.6 -9.3 11.0 -1.9 112 111 A N H <5S+ 0 0 1 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.719 135.1 8.7 -78.1 -24.8 -11.4 14.1 -2.1 113 112 A L T X5S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.3 -3,-0.2 0.708 128.3 44.3-120.8 -55.5 -12.6 14.3 1.4 114 113 A T H > S+ 0 0 4 -5,-0.3 4,-2.7 -6,-0.3 5,-0.3 0.929 108.0 52.0 -69.1 -45.9 -8.0 16.1 3.0 117 116 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 115.4 41.7 -48.3 -56.7 -9.2 15.4 6.5 118 117 A N H X S+ 0 0 1 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.887 115.4 46.5 -66.5 -43.3 -6.0 13.5 7.3 119 118 A L H X S+ 0 0 2 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.915 114.9 48.8 -64.1 -43.2 -3.5 15.8 5.5 120 119 A T H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 3,-0.5 0.903 107.7 55.0 -62.8 -40.4 -5.2 18.8 7.2 121 120 A R H X S+ 0 0 48 -4,-2.5 4,-0.6 -5,-0.3 -1,-0.2 0.826 104.4 55.1 -64.6 -31.3 -5.1 17.0 10.6 122 121 A E H < S+ 0 0 33 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 119.4 31.0 -63.1 -37.1 -1.3 16.5 10.2 123 122 A L H X S+ 0 0 1 -4,-1.2 4,-2.2 -3,-0.5 -2,-0.2 0.613 100.5 77.9-103.6 -18.0 -0.7 20.2 9.7 124 123 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.940 95.9 43.9 -66.4 -52.1 -3.4 22.1 11.7 125 124 A H H X S+ 0 0 79 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.945 113.0 53.6 -64.3 -43.8 -2.0 21.8 15.2 126 125 A P H > S+ 0 0 16 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.937 110.3 47.8 -47.7 -51.2 1.5 22.7 14.0 127 126 A M H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 4,-0.5 0.894 112.1 49.1 -58.3 -43.5 -0.0 25.9 12.3 128 127 A M H ><5S+ 0 0 9 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.890 107.3 55.0 -65.7 -37.3 -1.9 26.8 15.5 129 128 A R H 3<5S+ 0 0 162 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.5 44.5 -58.9 -37.8 1.3 26.3 17.5 130 129 A R T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.511 109.3-132.2 -82.3 -6.8 2.9 28.8 15.2 131 130 A R T < 5S+ 0 0 128 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.816 78.7 84.4 56.4 35.2 -0.2 31.0 15.5 132 131 A N < + 0 0 34 -5,-2.1 2,-0.3 45,-0.0 44,-0.2 -0.859 49.3 136.1-161.7 128.4 -0.3 31.4 11.7 133 132 A G E - 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0 0 14 -22,-2.8 2,-0.7 -2,-0.2 -20,-0.1 -0.966 45.3-126.8-158.4 148.1 -20.7 64.7 -4.1 303 60 B N > - 0 0 85 -2,-0.3 3,-1.1 1,-0.1 7,-0.3 -0.881 19.8-161.5 -93.1 109.7 -23.9 64.2 -2.2 304 61 B L T 3 S+ 0 0 15 -2,-0.7 -1,-0.1 1,-0.3 57,-0.1 0.594 87.9 65.2 -75.4 -9.0 -25.0 60.7 -3.1 305 62 B S T 3 S+ 0 0 75 1,-0.1 2,-1.0 52,-0.0 -1,-0.3 0.773 88.5 79.0 -71.2 -29.9 -28.6 61.4 -2.0 306 63 B D S <> S- 0 0 77 -3,-1.1 4,-2.2 1,-0.2 3,-0.4 -0.725 71.1-160.7 -88.8 101.1 -28.7 63.9 -4.9 307 64 B R H > S+ 0 0 58 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.807 91.0 50.0 -51.5 -37.9 -29.3 61.7 -8.0 308 65 B E H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.852 108.6 52.3 -73.8 -35.1 -28.0 64.5 -10.3 309 66 B A H > S+ 0 0 21 -3,-0.4 4,-2.8 -6,-0.2 -2,-0.2 0.878 108.3 52.3 -63.9 -38.1 -24.9 64.9 -8.2 310 67 B V H X S+ 0 0 0 -4,-2.2 4,-2.1 -7,-0.3 -2,-0.2 0.916 110.4 47.2 -62.0 -46.9 -24.3 61.1 -8.5 311 68 B K H X S+ 0 0 32 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.922 113.0 48.6 -60.2 -45.9 -24.6 61.4 -12.2 312 69 B A H X S+ 0 0 50 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.899 107.2 58.1 -59.4 -42.9 -22.2 64.4 -12.3 313 70 B L H X S+ 0 0 5 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.944 108.0 44.0 -51.2 -58.2 -19.8 62.4 -10.0 314 71 B G H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.850 116.4 46.9 -58.8 -38.6 -19.4 59.6 -12.5 315 72 B Q H X S+ 0 0 107 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 113.3 47.9 -70.9 -44.5 -19.1 62.0 -15.5 316 73 B K H X S+ 0 0 88 -4,-3.3 4,-3.0 2,-0.2 5,-0.3 0.904 115.3 45.4 -60.5 -47.0 -16.6 64.2 -13.7 317 74 B A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 6,-0.5 0.924 112.4 51.3 -64.1 -45.4 -14.5 61.1 -12.6 318 75 B E H <>S+ 0 0 39 -4,-2.3 5,-1.9 -5,-0.2 4,-0.3 0.896 118.4 38.6 -58.5 -41.0 -14.8 59.6 -16.1 319 76 B E H ><5S+ 0 0 149 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.982 118.9 41.9 -74.0 -59.9 -13.5 62.8 -17.7 320 77 B E H 3<5S+ 0 0 80 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.754 117.4 45.6 -68.2 -27.7 -10.9 64.1 -15.3 321 78 B M T 3<5S- 0 0 11 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.469 112.5-115.0 -92.1 -4.4 -9.2 60.7 -14.6 322 79 B G T < 5S- 0 0 56 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.836 83.8 -20.3 73.5 35.7 -9.2 59.8 -18.3 323 80 B G S - 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l 0 418C 0 42,-1.7 44,-2.2 -2,-0.3 2,-0.4 -0.960 31.8-150.6-168.6 157.9 -13.4 47.3 -15.9 376 133 B R E -kl 326 419C 7 -51,-2.5 -49,-3.5 -2,-0.3 2,-0.5 -0.984 8.9-174.3-131.8 119.1 -13.9 46.4 -12.2 377 134 B I E -kl 327 420C 0 42,-2.8 44,-2.2 -2,-0.4 2,-0.5 -0.984 11.4-176.1-109.1 118.6 -17.1 47.3 -10.4 378 135 B I E -kl 328 421C 0 -51,-4.1 -49,-2.2 -2,-0.5 2,-0.5 -0.963 6.1-162.6-123.6 113.2 -16.6 46.4 -6.7 379 136 B N E -kl 329 422C 0 42,-3.1 44,-2.5 -2,-0.5 2,-1.0 -0.842 13.2-142.1-104.9 125.6 -19.6 46.9 -4.4 380 137 B I E + l 0 423C 4 -51,-2.9 44,-0.2 -2,-0.5 42,-0.1 -0.772 35.3 160.6 -87.6 106.0 -19.2 47.0 -0.7 381 138 B T - 0 0 2 42,-2.7 2,-0.3 -2,-1.0 19,-0.1 0.144 32.5-111.3 -97.5-141.3 -22.2 45.2 0.7 382 139 B S >> - 0 0 13 42,-0.2 3,-2.0 17,-0.1 4,-0.5 -0.979 17.3-115.5-158.5 149.6 -22.5 43.8 4.2 383 140 B I H >> S+ 0 0 4 42,-2.3 4,-2.3 -2,-0.3 3,-1.7 0.871 117.5 64.8 -46.3 -37.8 -22.6 40.5 6.0 384 141 B V H 3> S+ 0 0 2 1,-0.3 4,-1.9 41,-0.3 -1,-0.3 0.662 87.7 65.8 -69.5 -19.4 -26.0 41.6 7.0 385 142 B G H <4 S+ 0 0 4 -3,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.741 114.3 32.8 -71.1 -21.8 -27.2 41.6 3.3 386 143 B V H << S+ 0 0 32 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.1 0.789 129.5 34.0-102.7 -37.2 -26.8 37.9 3.4 387 144 B T H < S- 0 0 40 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.766 97.0-130.9 -89.2 -27.2 -27.7 37.1 7.1 388 145 B G < - 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