==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-MAY-11 3AYY . COMPND 2 MOLECULE: MEMBRANE-BOUND HYDROGENASE LARGE SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HYDROGENOVIBRIO MARINUS; . AUTHOR Y.SHOMURA,K.S.YOON,H.NISHIHARA,Y.HIGUCHI . 1730 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1197 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 176 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 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 . 12 0.7 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 . 4 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 . 105 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 227 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 519 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.3 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 12 6 6 0 2 3 5 0 0 6 0 2 0 0 0 2 4 0 0 0 2 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 8 0 0 2 5 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 PARALLEL BRIDGES PER LADDER . 28 4 6 2 2 0 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 6 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 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 S 0 0 81 0, 0.0 12,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.9 25.9 -37.2 -14.9 2 3 A V E -A 12 0A 67 10,-0.2 2,-0.6 11,-0.1 10,-0.2 -0.983 360.0-164.8-122.9 112.6 27.7 -34.0 -15.8 3 4 A L E -A 11 0A 79 8,-2.9 8,-3.2 -2,-0.5 2,-0.8 -0.910 8.8-156.1-104.7 120.1 25.4 -31.2 -16.6 4 5 A N E -A 10 0A 108 -2,-0.6 6,-0.2 6,-0.2 553,-0.0 -0.806 21.8-152.5 -90.0 101.5 26.8 -28.1 -18.4 5 6 A T > - 0 0 12 4,-3.0 3,-1.8 -2,-0.8 552,-0.1 -0.358 22.5-122.4 -81.7 156.0 24.4 -25.3 -17.5 6 7 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 551,-0.1 0.796 113.6 61.2 -65.3 -24.2 23.8 -22.3 -19.7 7 8 A N T 3 S- 0 0 24 549,-0.1 -2,-0.1 2,-0.1 549,-0.0 0.174 125.1-101.4 -94.3 23.1 24.9 -20.2 -16.7 8 9 A H S < S+ 0 0 162 -3,-1.8 2,-0.3 1,-0.3 -4,-0.0 0.744 76.9 128.2 78.7 34.7 28.3 -21.8 -16.8 9 10 A Y - 0 0 50 -4,-0.0 -4,-3.0 2,-0.0 2,-0.6 -0.849 49.1-142.2-115.6 153.4 28.3 -24.4 -14.0 10 11 A K E -A 4 0A 116 -2,-0.3 2,-0.8 -6,-0.2 -6,-0.2 -0.911 16.5-160.8-114.1 97.9 29.2 -28.1 -14.3 11 12 A M E +A 3 0A 1 -8,-3.2 -8,-2.9 -2,-0.6 2,-0.5 -0.740 14.7 178.0 -89.4 112.8 26.9 -30.0 -12.1 12 13 A D E +A 2 0A 42 31,-2.8 3,-0.4 -2,-0.8 -10,-0.2 -0.956 18.4 179.2-122.4 111.9 28.4 -33.4 -11.4 13 14 A N + 0 0 54 -12,-1.7 -11,-0.1 -2,-0.5 -1,-0.1 0.087 57.8 98.4-103.1 28.1 26.8 -35.9 -9.1 14 15 A S + 0 0 95 -13,-0.3 -1,-0.2 29,-0.1 3,-0.1 0.735 69.6 78.4 -82.3 -19.8 29.4 -38.7 -9.4 15 16 A G S S- 0 0 25 -3,-0.4 22,-0.2 1,-0.2 27,-0.0 -0.109 102.2 -56.4 -83.4-177.8 31.1 -37.8 -6.1 16 17 A R E -B 36 0B 117 20,-1.2 20,-2.1 19,-0.1 2,-0.4 -0.335 55.7-131.0 -61.5 135.8 30.0 -38.6 -2.6 17 18 A R E -B 35 0B 34 18,-0.2 2,-0.4 -3,-0.1 18,-0.2 -0.784 18.7-167.7 -93.3 132.1 26.5 -37.4 -1.7 18 19 A V E -B 34 0B 7 16,-2.7 16,-2.5 -2,-0.4 2,-0.4 -0.989 7.0-157.7-119.4 130.1 25.9 -35.4 1.5 19 20 A V E -B 33 0B 19 -2,-0.4 2,-0.5 14,-0.2 627,-0.4 -0.934 8.8-171.7-115.7 128.3 22.3 -34.9 2.7 20 21 A I E +B 32 0B 3 12,-2.9 12,-2.3 -2,-0.4 3,-0.2 -0.928 16.2 175.0-118.0 100.0 21.3 -32.0 5.1 21 22 A D + 0 0 11 -2,-0.5 10,-0.1 1,-0.4 2,-0.1 -0.809 67.6 33.5-153.7 107.9 17.6 -32.4 6.1 22 23 A P S S- 0 0 3 0, 0.0 623,-3.0 0, 0.0 2,-0.7 0.315 75.9-159.0 -83.9 148.1 16.6 -30.6 8.1 23 24 A V - 0 0 3 7,-2.3 7,-0.4 -3,-0.2 3,-0.2 -0.860 25.9-160.4 -78.2 117.1 18.4 -27.4 7.3 24 25 A T + 0 0 0 -2,-0.7 615,-0.2 1,-0.2 3,-0.1 -0.360 60.4 49.3 -95.3 176.3 18.1 -25.6 10.7 25 26 A R S S+ 0 0 2 613,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.867 92.7 96.0 51.3 46.8 18.4 -22.0 11.5 26 27 A I S S- 0 0 4 612,-0.4 2,-0.6 -3,-0.2 -1,-0.3 -0.863 86.3 -96.5-134.1 168.8 16.2 -21.0 8.7 27 28 A E B S-d 589 0C 3 561,-1.6 563,-2.4 -2,-0.3 564,-0.2 -0.852 88.3 -13.3 -81.7 140.2 12.5 -20.2 8.7 28 29 A G S S- 0 0 8 -2,-0.6 2,-0.4 562,-0.2 -2,-0.2 -0.420 102.9 -33.5 77.0-151.9 10.5 -23.2 7.6 29 30 A H + 0 0 5 -2,-0.1 21,-1.6 -7,-0.1 22,-0.4 -0.932 54.6 161.1-125.7 125.3 11.7 -26.4 6.0 30 31 A M E - C 0 49B 1 -2,-0.4 -7,-2.3 -7,-0.4 2,-0.4 -0.986 19.3-160.0-138.0 146.8 14.6 -27.0 3.6 31 32 A R E - C 0 48B 4 17,-2.5 17,-2.8 -2,-0.3 2,-0.4 -0.982 11.5-171.2-117.9 139.7 16.6 -30.0 2.4 32 33 A C E -BC 20 47B 2 -12,-2.3 -12,-2.9 -2,-0.4 2,-0.4 -0.996 2.6-173.5-128.5 134.6 20.0 -29.5 0.7 33 34 A E E +BC 19 46B 0 13,-1.8 13,-2.6 -2,-0.4 2,-0.3 -0.987 7.3 179.9-122.3 144.2 22.0 -32.3 -1.0 34 35 A V E -BC 18 45B 0 -16,-2.5 -16,-2.7 -2,-0.4 2,-0.4 -0.913 20.4-141.9-132.8 158.7 25.5 -31.8 -2.3 35 36 A N E -BC 17 44B 5 9,-1.8 8,-2.8 -2,-0.3 9,-1.0 -0.982 19.2-161.8-114.7 136.2 28.2 -34.0 -4.1 36 37 A V E -BC 16 42B 3 -20,-2.1 -20,-1.2 -2,-0.4 6,-0.2 -0.904 10.3-134.2-116.6 145.6 31.8 -33.5 -3.2 37 38 A D > - 0 0 32 4,-2.4 3,-2.6 -2,-0.4 -1,-0.0 -0.214 44.8 -80.0 -85.9-175.7 34.8 -34.7 -5.2 38 39 A E T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.628 132.8 53.2 -63.0 -16.6 37.9 -36.5 -3.8 39 40 A N T 3 S- 0 0 119 2,-0.2 -1,-0.3 0, 0.0 531,-0.2 0.216 119.8-109.4-101.2 11.8 39.3 -33.2 -2.6 40 41 A N S < S+ 0 0 53 -3,-2.6 530,-2.4 1,-0.2 2,-0.4 0.703 71.2 142.3 65.1 28.4 36.1 -32.4 -0.7 41 42 A V B -E 569 0D 26 528,-0.2 -4,-2.4 1,-0.0 2,-0.3 -0.832 57.2-112.0-100.8 134.9 35.0 -29.7 -3.0 42 43 A I E +C 36 0B 0 526,-2.2 525,-2.9 -2,-0.4 -6,-0.3 -0.493 39.9 166.9 -70.0 126.2 31.3 -29.3 -3.8 43 44 A Q E + 0 0 57 -8,-2.8 -31,-2.8 1,-0.3 2,-0.3 0.291 67.2 29.3-122.4 3.5 30.6 -30.1 -7.5 44 45 A N E -C 35 0B 1 -9,-1.0 -9,-1.8 -33,-0.2 2,-0.3 -0.940 61.1-172.9-158.0 147.0 26.8 -30.4 -7.3 45 46 A A E -C 34 0B 0 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.995 4.5-165.1-146.4 137.3 24.2 -28.7 -5.1 46 47 A V E -C 33 0B 1 -13,-2.6 -13,-1.8 -2,-0.3 2,-0.6 -0.991 5.8-158.5-130.9 118.5 20.4 -29.4 -4.9 47 48 A S E -C 32 0B 2 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.898 14.1-177.0 -98.7 115.4 18.0 -26.9 -3.2 48 49 A T E -C 31 0B 0 -17,-2.8 -17,-2.5 -2,-0.6 2,-0.5 -0.960 18.7-151.3-119.3 115.0 14.7 -28.6 -2.0 49 50 A G E -C 30 0B 0 -2,-0.5 347,-2.2 -19,-0.2 -19,-0.2 -0.774 13.4-165.0 -78.2 121.2 11.9 -26.6 -0.4 50 51 A T + 0 0 1 -21,-1.6 631,-2.9 -2,-0.5 2,-0.3 0.107 57.0 58.8-105.5 23.5 10.2 -29.2 1.8 51 52 A M B +F 680 0E 0 -22,-0.4 2,-0.3 629,-0.2 629,-0.2 -0.986 47.8 174.9-144.2 157.9 6.9 -27.4 2.6 52 53 A W + 0 0 0 627,-1.9 543,-0.1 -2,-0.3 539,-0.1 -0.950 10.1 172.2-156.3 143.4 3.9 -26.0 0.9 53 54 A R - 0 0 1 542,-2.7 668,-0.4 -2,-0.3 670,-0.1 0.577 40.1-128.0-121.0 -32.6 0.6 -24.6 2.1 54 55 A G >> + 0 0 0 541,-1.5 4,-2.4 540,-0.2 3,-0.5 0.875 41.3 162.0 85.2 38.9 -1.2 -23.2 -0.9 55 56 A L H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.850 76.5 59.4 -55.7 -35.8 -2.1 -19.6 -0.1 56 57 A E H 34 S+ 0 0 3 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.888 110.0 43.1 -62.3 -35.1 -2.6 -18.8 -3.8 57 58 A V H X4 S+ 0 0 37 -3,-0.5 3,-1.3 1,-0.2 -1,-0.2 0.918 111.3 54.3 -71.6 -47.7 -5.2 -21.5 -4.0 58 59 A I H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.872 101.1 60.5 -59.2 -31.3 -6.9 -20.5 -0.7 59 60 A L T >< S+ 0 0 1 -4,-2.1 3,-2.0 -5,-0.2 477,-0.3 0.701 76.1 116.5 -70.5 -22.7 -7.3 -16.9 -1.8 60 61 A R T < S+ 0 0 134 -3,-1.3 477,-0.2 -4,-0.4 3,-0.1 -0.273 82.7 9.6 -57.4 132.6 -9.5 -17.8 -4.8 61 62 A G T 3 S+ 0 0 47 475,-3.1 -1,-0.3 1,-0.3 476,-0.1 0.345 101.5 119.3 86.4 -4.9 -13.0 -16.3 -4.6 62 63 A R S < S- 0 0 43 -3,-2.0 474,-2.3 474,-0.2 -1,-0.3 -0.292 73.9 -86.0 -90.4 177.2 -12.3 -14.1 -1.6 63 64 A D >> - 0 0 31 472,-0.2 3,-2.1 1,-0.1 4,-0.7 -0.689 26.9-135.2 -85.3 129.7 -12.5 -10.4 -1.3 64 65 A P G >4 S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.794 104.8 63.4 -51.5 -34.8 -9.4 -8.4 -2.4 65 66 A R G 34 S+ 0 0 25 1,-0.2 169,-0.3 2,-0.1 3,-0.2 0.743 104.3 46.6 -64.2 -23.6 -9.7 -6.3 0.7 66 67 A D G X> S+ 0 0 7 -3,-2.1 3,-1.1 1,-0.1 4,-1.0 0.513 88.2 89.9 -88.8 -15.3 -9.2 -9.3 2.9 67 68 A A H S+ 0 0 0 -4,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.829 101.3 50.5 -58.0 -35.9 -3.5 -8.8 3.0 69 70 A A H <> S+ 0 0 0 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.879 111.9 47.1 -74.2 -37.0 -4.3 -10.7 6.2 70 71 A F H >< S+ 0 0 4 -4,-1.0 3,-0.7 -3,-0.4 -2,-0.2 0.950 116.3 43.0 -62.4 -55.4 -4.1 -14.2 4.5 71 72 A V H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.3 4,-0.4 0.807 101.1 68.6 -72.8 -23.0 -0.9 -13.5 2.7 72 73 A E H >< S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.3 8,-0.3 0.899 93.9 61.6 -52.9 -40.4 0.7 -11.8 5.7 73 74 A R T << S+ 0 0 3 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.382 75.0 90.0 -74.9 5.9 0.6 -15.3 7.2 74 75 A I T < S+ 0 0 0 -3,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.880 105.6 11.2 -57.3 -35.1 2.9 -16.6 4.4 75 76 A a < - 0 0 0 -3,-1.7 5,-0.3 -4,-0.4 -1,-0.3 -0.947 46.6-171.7-156.7 129.9 5.6 -15.6 6.9 76 77 A G S S+ 0 0 0 533,-2.9 3,-0.4 -2,-0.3 534,-0.2 0.548 93.8 55.3 -92.1 -8.7 6.0 -14.6 10.5 77 78 A V S S+ 0 0 9 532,-0.5 2,-1.5 1,-0.2 -1,-0.1 0.932 115.7 36.1 -84.8 -60.7 9.7 -13.7 10.2 78 79 A C S >> S+ 0 0 4 2,-0.1 3,-1.2 39,-0.1 4,-0.6 -0.285 95.0 177.7 -85.4 56.7 9.2 -11.2 7.3 79 80 A T T 34 + 0 0 1 -2,-1.5 -3,-0.1 -3,-0.4 -6,-0.1 -0.440 58.8 15.6 -76.4 122.4 6.0 -10.2 9.0 80 81 A G T 3> S+ 0 0 1 -2,-0.3 4,-2.5 -5,-0.3 -1,-0.2 -0.137 95.8 95.9 108.8 -30.9 4.2 -7.4 7.2 81 82 A C H <> S+ 0 0 5 -3,-1.2 4,-2.3 1,-0.2 -2,-0.1 0.871 87.2 47.7 -65.7 -33.3 5.9 -7.4 3.9 82 83 A H H X S+ 0 0 0 -4,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.862 109.8 53.0 -73.4 -31.9 3.3 -9.6 2.2 83 84 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.932 110.3 49.1 -62.7 -42.5 0.5 -7.4 3.6 84 85 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.931 110.8 48.8 -62.8 -44.5 2.3 -4.4 2.1 85 86 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 442,-0.3 0.903 112.4 50.9 -60.9 -40.9 2.6 -6.2 -1.2 86 87 A S H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.936 109.8 45.1 -62.5 -53.0 -1.0 -7.1 -1.1 87 88 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.911 114.8 51.5 -62.3 -39.9 -2.5 -3.7 -0.4 88 89 A R H X S+ 0 0 69 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.900 109.3 49.4 -63.1 -38.3 -0.2 -2.3 -3.0 89 90 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 113.7 45.2 -67.9 -39.3 -1.3 -4.9 -5.6 90 91 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.920 112.9 50.9 -68.3 -40.2 -5.0 -4.2 -4.9 91 92 A E H X>S+ 0 0 9 -4,-2.7 5,-2.4 -5,-0.2 4,-0.6 0.882 111.0 49.6 -65.0 -39.3 -4.4 -0.4 -4.9 92 93 A D H ><5S+ 0 0 47 -4,-2.4 3,-0.9 -5,-0.2 -1,-0.2 0.934 111.0 48.5 -63.9 -47.7 -2.6 -0.8 -8.3 93 94 A A H 3<5S+ 0 0 14 -4,-2.5 420,-0.3 1,-0.2 -2,-0.2 0.866 120.5 36.8 -58.4 -38.3 -5.5 -2.9 -9.7 94 95 A L H 3<5S- 0 0 3 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.319 108.7-118.1-101.2 5.4 -8.1 -0.4 -8.6 95 96 A D T <<5 + 0 0 112 -3,-0.9 2,-0.5 -4,-0.6 -3,-0.2 0.921 53.3 165.4 52.6 51.6 -6.1 2.8 -9.2 96 97 A I < - 0 0 7 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.2 -0.898 22.6-162.9 -95.7 121.9 -6.2 3.8 -5.5 97 98 A K - 0 0 100 -2,-0.5 402,-0.0 138,-0.1 -5,-0.0 -0.887 14.1-148.0-101.9 136.9 -3.8 6.6 -4.4 98 99 A I - 0 0 17 -2,-0.4 138,-0.1 1,-0.1 400,-0.1 -0.686 25.9 -89.3-103.4 157.2 -3.2 6.7 -0.6 99 100 A P >> - 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.253 38.8-112.0 -62.8 153.8 -2.5 9.7 1.6 100 101 A H H 3> S+ 0 0 55 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.863 117.3 56.1 -57.1 -37.8 1.2 10.7 2.1 101 102 A N H 3> S+ 0 0 0 395,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.824 105.4 52.3 -69.5 -26.4 1.1 9.8 5.8 102 103 A A H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.927 109.7 48.9 -69.6 -43.3 -0.1 6.3 4.8 103 104 A T H X S+ 0 0 16 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.934 114.8 45.6 -52.9 -50.4 2.8 6.0 2.4 104 105 A L H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.889 112.0 48.8 -66.7 -44.2 5.2 7.1 5.1 105 106 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 110.8 51.8 -66.6 -37.5 3.8 4.9 7.9 106 107 A R H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.908 111.6 47.2 -60.8 -42.1 3.9 1.9 5.6 107 108 A E H X S+ 0 0 9 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.878 110.0 52.9 -69.6 -35.4 7.6 2.7 4.9 108 109 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.918 111.3 46.5 -59.6 -46.4 8.3 3.2 8.6 109 110 A M H X S+ 0 0 3 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.917 111.9 51.6 -62.7 -40.6 6.8 -0.2 9.3 110 111 A A H X S+ 0 0 12 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 110.6 46.8 -63.7 -42.3 8.8 -1.7 6.4 111 112 A K H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.865 108.8 55.7 -73.2 -30.9 12.1 -0.3 7.7 112 113 A T H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 109.0 48.1 -56.3 -49.1 11.3 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-1,-0.2 -0.994 83.5 -98.2-153.0 160.1 1.6 26.7 19.4 1634 178 D I - 0 0 52 -2,-0.3 3,-0.1 1,-0.1 -10,-0.0 -0.602 55.2-107.3 -65.2 134.3 -0.3 26.3 22.7 1635 179 D P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.236 43.8 -85.2 -62.1 154.4 -2.5 23.1 22.4 1636 180 D E - 0 0 85 -1392,-0.3 8,-2.7 7,-0.1 9,-0.4 -0.464 51.2-150.1 -59.1 135.2 -6.2 23.6 22.1 1637 181 D L B -I 1643 0o 51 6,-0.3 2,-0.1 -2,-0.2 -1,-0.0 -0.823 6.1-130.4-114.7 147.8 -7.7 24.0 25.6 1638 182 D D > - 0 0 33 4,-2.4 3,-2.0 -2,-0.3 -1,-0.1 -0.124 48.9 -82.8 -78.6-177.1 -11.2 23.1 26.9 1639 183 D R T 3 S+ 0 0 253 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.732 131.7 54.5 -66.4 -21.6 -13.2 25.7 28.8 1640 184 D Q T 3 S- 0 0 64 2,-0.1 -1,-0.3 -30,-0.0 -30,-0.1 0.313 121.9-105.0 -90.9 5.2 -11.4 24.7 32.0 1641 185 D G S < S+ 0 0 10 -3,-2.0 -31,-2.4 1,-0.3 -2,-0.1 0.631 75.2 137.6 87.6 9.6 -8.0 25.4 30.4 1642 186 D R - 0 0 7 -33,-0.2 -4,-2.4 5,-0.1 -1,-0.3 -0.751 61.4-104.5 -96.0 135.5 -7.0 21.8 30.0 1643 187 D P B >> -I 1637 0o 0 0, 0.0 4,-2.4 0, 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1663 207 D A T 3<5S- 0 0 61 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.363 115.6-109.9 -88.5 3.1 -23.6 -6.1 32.7 1664 208 D G T < 5 + 0 0 46 -3,-1.5 2,-0.8 -4,-0.5 -3,-0.2 0.817 69.4 148.3 69.0 29.1 -24.1 -5.1 36.3 1665 209 D Q < + 0 0 64 -5,-2.9 15,-1.9 -6,-0.1 2,-0.3 -0.865 21.2 160.8-102.3 101.6 -20.9 -6.9 37.2 1666 210 D F B -k 1680 0q 32 -2,-0.8 2,-0.5 13,-0.2 8,-0.2 -0.888 50.7-110.4-123.1 149.3 -19.4 -5.1 40.1 1667 211 D V + 0 0 1 13,-2.7 16,-0.2 -2,-0.3 3,-0.1 -0.687 38.0 175.6 -64.9 121.7 -16.9 -5.5 42.9 1668 212 D E + 0 0 94 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.752 67.0 12.2-103.6 -31.2 -19.3 -5.5 45.9 1669 213 D E S > S- 0 0 126 15,-0.0 3,-1.6 -296,-0.0 -1,-0.4 -0.983 98.7 -85.0-141.1 145.1 -16.8 -6.2 48.7 1670 214 D W T 3 S+ 0 0 17 -2,-0.3 -300,-0.1 1,-0.3 -302,-0.1 -0.222 112.2 9.3 -54.8 139.0 -12.9 -6.0 48.5 1671 215 D D T 3 S+ 0 0 21 -563,-0.2 -1,-0.3 1,-0.2 -303,-0.1 0.725 94.5 140.3 59.6 30.9 -11.4 -9.3 47.2 1672 216 D D S <> S- 0 0 39 -3,-1.6 4,-1.8 1,-0.0 -1,-0.2 -0.139 74.0 -84.0 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