==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-APR-10 3MMA . COMPND 2 MOLECULE: SULFITE REDUCTASE, DISSIMILATORY-TYPE SUBUNIT ALP . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR K.PAREY,E.WARKENTIN,P.M.H.KRONECK,U.ERMLER . 1560 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 977 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 105 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 394 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.3 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 6 8 3 4 5 1 1 5 1 0 3 3 3 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 14 10 8 5 7 4 2 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 . 7 3 0 4 2 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 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 1 A S 0 0 113 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.7 46.7 33.9 88.8 2 2 A E + 0 0 164 1,-0.2 50,-0.0 2,-0.1 0, 0.0 0.749 360.0 27.4 -70.3 -27.7 49.0 30.9 88.8 3 3 A T > + 0 0 4 1,-0.1 4,-2.5 2,-0.1 3,-0.3 -0.429 67.0 160.0-138.2 62.5 48.6 30.6 85.0 4 4 A P H > S+ 0 0 71 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.791 78.1 49.5 -62.9 -32.0 47.8 34.0 83.5 5 5 A L H 4 S+ 0 0 50 2,-0.2 4,-0.4 1,-0.2 3,-0.1 0.864 114.1 44.1 -72.8 -37.2 48.9 33.1 79.9 6 6 A L H >4 S+ 0 0 0 -3,-0.3 3,-1.7 1,-0.2 -1,-0.2 0.868 102.4 66.9 -78.0 -31.1 46.9 29.9 79.8 7 7 A D H >< S+ 0 0 42 -4,-2.5 3,-2.8 1,-0.3 4,-0.5 0.861 90.1 65.4 -52.1 -38.9 43.9 31.6 81.4 8 8 A E G >< S+ 0 0 68 -4,-0.9 3,-1.1 1,-0.3 -1,-0.3 0.834 96.6 57.8 -51.5 -34.2 43.6 33.6 78.1 9 9 A L G < S+ 0 0 0 -3,-1.7 9,-0.4 -4,-0.4 10,-0.3 0.244 90.3 68.8 -87.1 13.8 42.9 30.3 76.5 10 10 A E G < S+ 0 0 85 -3,-2.8 -1,-0.2 8,-0.1 -2,-0.2 0.513 90.9 80.9 -96.7 -10.6 39.9 29.7 78.7 11 11 A K S < S+ 0 0 121 -3,-1.1 3,-0.1 -4,-0.5 560,-0.1 -0.459 70.6 51.9 -82.9 161.2 38.2 32.6 76.8 12 12 A G S S- 0 0 46 -2,-0.1 4,-0.1 1,-0.1 559,-0.1 -0.013 88.5 -83.7 93.3 161.2 36.5 32.3 73.4 13 13 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 558,-0.1 0.799 94.0 92.6 -78.8 -31.2 33.9 29.9 72.0 14 14 A W S S- 0 0 6 553,-0.2 514,-0.1 1,-0.1 557,-0.1 -0.397 94.6 -95.1 -63.6 134.0 36.0 26.9 71.0 15 15 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.289 49.0-121.2 -53.1 135.7 36.1 24.2 73.8 16 16 A S > - 0 0 9 1,-0.1 4,-1.7 -6,-0.1 -6,-0.1 -0.681 17.3-157.1 -96.5 128.2 39.3 24.9 75.8 17 17 A F H > S+ 0 0 5 -2,-0.4 4,-2.2 546,-0.2 -1,-0.1 0.828 99.4 60.7 -65.7 -29.9 42.1 22.4 76.2 18 18 A V H > S+ 0 0 0 -9,-0.4 4,-3.0 2,-0.2 5,-0.3 0.932 101.8 51.3 -61.9 -45.9 43.1 24.4 79.3 19 19 A K H > S+ 0 0 74 -10,-0.3 4,-2.7 1,-0.2 5,-0.2 0.921 108.0 54.4 -53.8 -45.7 39.7 23.7 80.8 20 20 A E H X S+ 0 0 1 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.924 112.0 42.1 -54.9 -47.9 40.4 20.0 80.0 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.951 116.0 48.2 -65.1 -50.7 43.7 20.0 82.0 22 22 A K H X S+ 0 0 31 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.866 108.9 53.6 -58.2 -41.9 42.4 22.1 84.9 23 23 A K H X S+ 0 0 25 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.911 109.7 48.5 -58.5 -45.0 39.3 19.9 85.2 24 24 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 5,-0.4 0.934 111.9 49.6 -60.0 -48.9 41.6 16.8 85.5 25 25 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.964 112.7 46.9 -53.8 -57.9 43.7 18.6 88.1 26 26 A E H X S+ 0 0 110 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.889 119.1 38.6 -53.3 -46.5 40.7 19.5 90.2 27 27 A L H X S+ 0 0 54 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.745 114.3 50.8 -87.3 -24.6 39.1 16.1 90.1 28 28 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.889 114.8 46.6 -71.5 -42.3 42.2 13.9 90.4 29 29 A E H X S+ 0 0 60 -4,-2.4 4,-2.3 -5,-0.4 -2,-0.2 0.937 114.4 47.3 -63.4 -45.8 43.2 16.0 93.4 30 30 A K H X S+ 0 0 112 -4,-2.2 4,-1.6 -5,-0.3 -2,-0.2 0.913 112.0 49.8 -60.7 -46.4 39.6 15.7 94.8 31 31 A A H <>S+ 0 0 4 -4,-2.4 5,-2.0 2,-0.2 -2,-0.2 0.920 112.9 46.1 -59.5 -46.1 39.5 11.9 94.2 32 32 A A H ><5S+ 0 0 30 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.885 110.6 53.3 -65.1 -40.4 42.9 11.4 95.9 33 33 A A H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 103.3 58.8 -61.4 -30.7 41.8 13.6 98.8 34 34 A E T 3<5S- 0 0 109 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.434 124.9-104.1 -77.7 1.6 38.7 11.4 99.0 35 35 A G T < 5S+ 0 0 67 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.363 70.2 151.2 89.6 -4.2 40.9 8.4 99.7 36 36 A K < - 0 0 112 -5,-2.0 2,-1.3 -6,-0.2 -1,-0.3 -0.288 60.7-101.6 -60.8 145.9 40.5 6.9 96.1 37 37 A D + 0 0 90 2,-0.0 2,-0.4 85,-0.0 -1,-0.1 -0.592 64.7 149.2 -74.7 95.0 43.4 4.9 94.9 38 38 A V - 0 0 15 -2,-1.3 83,-0.2 -6,-0.1 84,-0.2 -0.982 28.4-171.2-134.0 113.7 45.0 7.5 92.6 39 39 A K S S+ 0 0 80 82,-2.7 83,-0.1 -2,-0.4 3,-0.1 0.581 82.6 36.9 -86.7 -10.8 48.8 7.3 92.2 40 40 A M > + 0 0 9 80,-0.4 3,-1.9 83,-0.3 4,-0.5 -0.226 60.6 150.5-136.7 49.8 49.3 10.6 90.3 41 41 A P T 3 S+ 0 0 35 0, 0.0 4,-0.3 0, 0.0 -12,-0.2 0.703 80.0 45.2 -58.8 -20.3 46.9 13.2 91.7 42 42 A K T 3> S+ 0 0 126 1,-0.1 4,-2.2 2,-0.1 5,-0.2 0.434 83.0 95.3-104.8 -3.2 49.3 16.0 90.9 43 43 A G H <> S+ 0 0 0 -3,-1.9 4,-2.2 1,-0.2 5,-0.1 0.924 86.4 48.2 -58.1 -47.1 50.3 15.0 87.3 44 44 A A H > S+ 0 0 0 80,-0.5 4,-2.3 -4,-0.5 -1,-0.2 0.908 112.4 48.5 -60.9 -43.3 47.7 17.2 85.6 45 45 A R H > S+ 0 0 72 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.808 110.0 52.3 -71.2 -27.7 48.7 20.2 87.7 46 46 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.892 109.4 49.9 -68.0 -40.3 52.4 19.7 87.0 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.991 109.2 51.3 -61.8 -59.4 51.7 19.6 83.3 48 48 A L H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 111.6 47.8 -35.4 -60.4 49.7 22.8 83.5 49 49 A K H X S+ 0 0 74 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.878 111.9 48.4 -56.5 -43.5 52.5 24.6 85.3 50 50 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.2 -1,-0.2 0.865 110.5 52.8 -64.4 -34.4 55.2 23.4 82.9 51 51 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.877 107.2 52.0 -69.7 -38.1 53.0 24.5 80.0 52 52 A E H X S+ 0 0 19 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.866 110.6 46.8 -63.8 -41.9 52.7 28.0 81.5 53 53 A I H X S+ 0 0 44 -4,-1.8 4,-2.2 1,-0.2 5,-0.2 0.898 111.4 53.8 -67.7 -39.0 56.4 28.3 81.8 54 54 A S H X>S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 5,-1.1 0.860 106.6 51.2 -59.5 -35.7 56.6 27.0 78.3 55 55 A Y H <5S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.878 112.1 47.1 -72.1 -37.5 54.2 29.8 77.1 56 56 A K H <5S+ 0 0 159 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.845 119.9 37.2 -66.8 -40.6 56.3 32.4 78.8 57 57 A D H <5S- 0 0 61 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.616 99.4-135.1 -88.4 -13.9 59.7 31.1 77.4 58 58 A K T <5S+ 0 0 48 -4,-1.5 2,-0.3 -5,-0.2 -3,-0.2 0.838 71.0 94.2 59.2 37.1 58.1 30.2 74.0 59 59 A K S - 0 0 2 -2,-0.3 3,-2.1 5,-0.2 5,-0.1 -0.779 60.6 -79.3-102.8 155.4 56.0 -2.8 79.3 71 71 A V T 3 S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.304 116.9 15.6 -59.4 122.1 57.2 -6.4 79.8 72 72 A G T 3 S+ 0 0 43 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.168 111.2 86.1 105.5 -13.5 57.1 -8.3 76.6 73 73 A Y < - 0 0 10 -3,-2.1 -1,-0.3 1,-0.1 132,-0.2 -0.857 50.5-167.9-120.7 150.8 56.8 -5.3 74.3 74 74 A G S S+ 0 0 50 130,-3.2 2,-0.3 -2,-0.3 131,-0.2 0.247 76.0 37.1-118.9 9.3 59.4 -3.1 72.7 75 75 A G S S+ 0 0 3 129,-0.9 -5,-0.2 -5,-0.1 91,-0.1 -0.956 76.8 68.3-152.7 163.3 57.0 -0.4 71.4 76 76 A G S S+ 0 0 0 -2,-0.3 22,-3.0 1,-0.1 2,-0.5 0.151 85.5 79.9 108.6 -16.4 53.9 1.4 72.4 77 77 A V E -C 97 0B 9 -9,-0.3 2,-0.6 20,-0.2 -9,-0.4 -0.979 60.9-162.6-127.0 122.4 55.3 3.4 75.3 78 78 A I E -C 96 0B 44 18,-2.3 18,-2.0 -2,-0.5 2,-0.1 -0.912 15.5-136.4-113.3 114.9 57.2 6.5 74.7 79 79 A G - 0 0 6 -2,-0.6 2,-0.3 -13,-0.4 -14,-0.3 -0.416 24.7-179.9 -66.7 136.4 59.4 7.8 77.5 80 80 A R - 0 0 24 -2,-0.1 14,-2.6 -15,-0.1 2,-0.4 -0.983 4.6-173.3-142.5 129.0 59.3 11.6 78.1 81 81 A Y E -AB 63 93A 41 -18,-0.6 -18,-2.9 -2,-0.3 2,-0.3 -0.963 17.5-132.4-125.3 142.3 61.2 13.5 80.7 82 82 A S E > -A 62 0A 0 10,-1.0 3,-0.8 9,-0.5 -20,-0.2 -0.679 8.0-143.5 -92.9 147.0 61.0 17.2 81.7 83 83 A D T 3 S+ 0 0 78 -22,-2.4 3,-0.2 -2,-0.3 -21,-0.1 0.387 101.5 65.0 -82.7 5.5 63.9 19.5 82.2 84 84 A L T 3> + 0 0 18 -23,-0.5 4,-2.2 1,-0.1 -1,-0.2 0.070 64.8 126.9-110.6 22.6 62.0 21.1 85.0 85 85 A G T <4 S+ 0 0 5 -3,-0.8 7,-0.3 1,-0.2 -1,-0.1 0.741 72.4 43.9 -59.2 -34.2 62.0 17.9 87.2 86 86 A E T 4 S+ 0 0 190 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.908 117.0 45.7 -77.0 -41.3 63.4 19.5 90.4 87 87 A Q T 4 S+ 0 0 129 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.766 134.7 17.9 -68.6 -26.5 61.2 22.5 90.2 88 88 A I S >< S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.1 -1,-0.3 -0.640 71.2 176.1-147.5 80.4 58.2 20.3 89.4 89 89 A P G > S+ 0 0 74 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.761 71.3 71.5 -67.4 -26.0 58.9 16.6 90.4 90 90 A E G 3 S+ 0 0 26 1,-0.3 3,-0.1 2,-0.1 -43,-0.1 0.687 105.6 39.9 -66.2 -18.0 55.5 15.2 89.5 91 91 A V G < S+ 0 0 0 -3,-1.4 -9,-0.5 -7,-0.1 -1,-0.3 0.287 81.8 102.1-110.9 10.7 56.2 15.7 85.8 92 92 A E S < S+ 0 0 78 -3,-1.6 -10,-1.0 -7,-0.3 2,-0.5 0.899 94.7 33.7 -60.9 -42.8 59.9 14.6 85.8 93 93 A H B S+B 81 0A 36 -4,-0.5 -12,-0.2 -12,-0.2 -1,-0.2 -0.972 74.2 154.4-104.2 127.3 58.7 11.2 84.4 94 94 A F + 0 0 0 -14,-2.6 48,-0.2 -2,-0.5 2,-0.1 -0.394 16.9 174.3-152.4 69.7 55.7 11.8 82.1 95 95 A H E - D 0 141B 0 46,-2.9 45,-1.5 44,-0.1 46,-0.8 -0.414 24.2-132.1 -84.5 152.2 55.4 9.0 79.5 96 96 A T E -CD 78 139B 11 -18,-2.0 -18,-2.3 43,-0.2 2,-0.5 -0.853 10.9-156.5 -99.9 139.2 52.7 8.3 77.0 97 97 A M E -CD 77 138B 0 41,-1.9 41,-2.9 -2,-0.4 2,-0.7 -0.972 12.2-143.6-109.6 127.7 51.1 4.9 76.5 98 98 A R E - D 0 137B 50 -22,-3.0 65,-3.2 -2,-0.5 2,-0.5 -0.848 15.0-161.0 -93.4 114.6 49.5 4.4 73.1 99 99 A I E -ED 162 136B 0 37,-3.3 37,-2.9 -2,-0.7 63,-0.2 -0.866 24.1-114.3-100.2 122.1 46.4 2.3 73.5 100 100 A N - 0 0 2 61,-1.7 61,-0.2 -2,-0.5 35,-0.1 -0.302 32.8-137.1 -58.6 126.5 45.1 0.5 70.3 101 101 A Q - 0 0 2 326,-0.1 2,-0.2 1,-0.1 329,-0.1 -0.398 21.2-100.9 -80.5 156.8 41.7 1.9 69.3 102 102 A P > - 0 0 0 0, 0.0 3,-2.2 0, 0.0 327,-0.1 -0.560 60.9 -79.0 -68.5 149.9 38.7 -0.2 68.2 103 103 A S G > S+ 0 0 2 325,-0.3 3,-1.2 1,-0.3 86,-0.1 -0.231 118.3 7.6 -50.2 137.1 38.5 -0.1 64.4 104 104 A G G 3 S- 0 0 0 70,-0.3 -1,-0.3 1,-0.2 395,-0.2 0.557 119.8 -84.7 63.5 12.3 36.8 3.2 63.2 105 105 A W G < S+ 0 0 5 -3,-2.2 394,-1.6 1,-0.2 2,-0.4 0.817 76.9 161.5 60.7 34.0 36.9 4.6 66.8 106 106 A F E < +H 498 0C 1 -3,-1.2 2,-0.3 392,-0.2 392,-0.2 -0.739 10.6 172.1 -86.9 128.9 33.7 2.9 67.8 107 107 A Y E -H 497 0C 0 390,-2.8 390,-2.0 -2,-0.4 2,-0.3 -0.938 30.5-145.9-132.5 155.9 33.0 2.6 71.5 108 108 A S E > -H 496 0C 14 -2,-0.3 4,-1.7 388,-0.2 3,-0.3 -0.822 38.7-112.6-103.8 161.1 30.4 1.6 74.0 109 109 A T H > S+ 0 0 10 386,-2.1 4,-2.7 -2,-0.3 5,-0.2 0.814 116.2 60.3 -65.7 -29.5 30.3 3.5 77.2 110 110 A K H > S+ 0 0 110 385,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 104.1 50.2 -62.4 -43.2 31.4 0.4 79.2 111 111 A A H > S+ 0 0 0 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.963 113.4 44.5 -58.0 -51.1 34.6 0.3 77.1 112 112 A L H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.874 109.2 56.4 -65.2 -38.8 35.4 3.9 77.7 113 113 A R H X S+ 0 0 69 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.885 104.5 53.8 -59.6 -40.1 34.6 3.7 81.4 114 114 A G H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.962 109.8 46.6 -55.9 -54.2 37.1 0.8 81.8 115 115 A L H X S+ 0 0 2 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.903 111.4 52.5 -53.8 -45.1 39.9 3.0 80.2 116 116 A C H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.828 108.8 49.6 -63.9 -34.4 38.9 5.9 82.4 117 117 A D H X S+ 0 0 86 -4,-1.9 4,-1.7 -3,-0.4 -1,-0.2 0.898 112.4 46.2 -72.5 -40.7 39.2 3.8 85.6 118 118 A V H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.927 115.7 45.1 -66.0 -47.5 42.6 2.4 84.8 119 119 A W H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.825 108.0 58.1 -70.1 -33.9 44.1 5.8 83.8 120 120 A E H < S+ 0 0 21 -4,-1.6 -80,-0.4 -5,-0.2 -1,-0.2 0.965 112.0 42.2 -55.7 -48.9 42.5 7.5 86.8 121 121 A K H < S+ 0 0 57 -4,-1.7 -82,-2.7 1,-0.2 -2,-0.2 0.861 129.9 21.2 -66.2 -41.8 44.4 5.0 89.1 122 122 A W H < S+ 0 0 26 -4,-2.0 20,-0.4 -84,-0.2 2,-0.2 0.439 116.8 40.7-112.7 -5.5 47.8 4.9 87.3 123 123 A G S < S- 0 0 0 -4,-2.0 -83,-0.3 -5,-0.2 18,-0.2 -0.586 90.5 -81.2-139.5-168.6 48.2 8.1 85.2 124 124 A S - 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