==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JAN-11 2Y6Q . COMPND 2 MOLECULE: TETX2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR G.VOLKERS,G.J.PALM,M.S.WEISS,G.D.WRIGHT,W.HINRICHS . 1468 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 979 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 224 15.3 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 . 20 1.4 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 . 109 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 397 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 8 0 0 8 4 4 0 12 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 3 8 5 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 PARALLEL BRIDGES PER LADDER . 4 4 0 8 8 8 0 0 4 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 8 0 4 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 13 A L 0 0 62 0, 0.0 331,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -35.0 -37.2 7.1 10.3 2 14 A L > + 0 0 8 322,-0.1 3,-2.9 323,-0.1 27,-0.2 0.002 360.0 139.4-102.9 21.4 -34.9 5.4 7.8 3 15 A S T 3 S+ 0 0 104 1,-0.3 26,-0.1 25,-0.1 -1,-0.1 0.735 72.4 21.9 -44.3 -52.5 -37.9 3.0 7.6 4 16 A D T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.076 115.5 85.7-102.1 28.8 -38.0 2.3 3.8 5 17 A K < - 0 0 84 -3,-2.9 24,-0.5 144,-0.0 2,-0.3 -0.732 62.4-134.8-133.9 166.1 -34.4 3.2 3.2 6 18 A N E -a 29 0A 34 -2,-0.2 144,-1.5 22,-0.1 145,-1.2 -0.915 13.8-143.4-126.6 153.4 -30.9 2.0 3.1 7 19 A V E -ab 30 151A 1 22,-2.3 24,-2.3 -2,-0.3 2,-0.6 -0.932 3.9-154.8-120.2 137.3 -27.6 3.5 4.4 8 20 A A E -ab 31 152A 0 143,-3.1 145,-3.1 -2,-0.4 2,-0.6 -0.953 5.5-165.0-116.6 119.4 -24.2 3.3 2.8 9 21 A I E -ab 32 153A 0 22,-2.5 24,-2.6 -2,-0.6 2,-0.7 -0.917 11.7-148.8-100.0 123.8 -21.2 3.7 5.1 10 22 A I E +ab 33 154A 5 143,-2.8 145,-3.0 -2,-0.6 24,-0.2 -0.860 67.9 27.8 -96.0 112.1 -18.0 4.4 3.1 11 23 A G - 0 0 7 22,-2.9 23,-0.2 -2,-0.7 22,-0.1 0.368 61.2-139.1 104.0 124.4 -15.2 2.9 5.0 12 24 A G + 0 0 1 4,-0.2 -1,-0.1 20,-0.1 144,-0.1 -0.303 55.4 126.9-111.9 48.8 -14.8 -0.0 7.5 13 25 A G S > S- 0 0 27 142,-0.5 4,-2.2 1,-0.0 5,-0.3 -0.007 83.6 -78.9 -80.4-168.8 -12.5 1.4 10.1 14 26 A P H > S+ 0 0 33 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.922 133.5 48.5 -60.6 -42.9 -13.3 1.3 13.8 15 27 A V H > S+ 0 0 16 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.919 114.3 43.5 -66.5 -45.0 -15.6 4.3 13.3 16 28 A G H > S+ 0 0 0 139,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.887 114.1 48.9 -69.5 -43.0 -17.5 3.0 10.3 17 29 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 111.6 49.7 -66.6 -36.7 -17.9 -0.5 11.6 18 30 A T H X S+ 0 0 1 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.960 109.2 51.9 -67.9 -45.5 -19.2 0.8 14.9 19 31 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.962 108.7 52.6 -48.4 -55.2 -21.6 3.1 13.1 20 32 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.855 109.9 48.2 -49.4 -43.5 -22.8 -0.0 11.2 21 33 A K H X S+ 0 0 39 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.937 110.5 48.1 -68.3 -47.2 -23.4 -1.9 14.4 22 34 A L H < S+ 0 0 2 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.858 117.5 43.7 -64.5 -35.1 -25.3 0.8 16.3 23 35 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.3 3,-1.2 0.912 112.3 51.7 -72.3 -43.7 -27.5 1.3 13.2 24 36 A Q H ><5S+ 0 0 29 -4,-2.5 3,-1.7 -5,-0.3 -2,-0.2 0.867 102.7 58.9 -66.8 -35.2 -28.0 -2.5 12.5 25 37 A Q T 3<5S+ 0 0 76 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.633 102.7 54.7 -70.0 -13.8 -29.1 -3.2 16.1 26 38 A N T < 5S- 0 0 95 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.145 125.8-101.1 -97.7 15.6 -32.0 -0.7 15.6 27 39 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.672 71.7 149.7 78.2 19.3 -33.1 -2.6 12.5 28 40 A I < - 0 0 20 -5,-1.8 2,-0.6 -8,-0.1 -1,-0.2 -0.743 49.5-123.1 -93.6 132.4 -31.7 -0.2 9.9 29 41 A D E +a 6 0A 102 -24,-0.5 -22,-2.3 -2,-0.4 2,-0.4 -0.589 47.2 162.0 -71.8 113.1 -30.5 -1.6 6.6 30 42 A V E -a 7 0A 5 -2,-0.6 2,-0.4 -24,-0.2 -22,-0.2 -0.987 25.8-166.7-139.9 147.4 -26.9 -0.7 6.2 31 43 A S E -a 8 0A 29 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.5 -0.988 12.5-147.4-128.9 146.4 -23.9 -1.7 4.2 32 44 A V E -ac 9 121A 0 88,-2.2 90,-3.4 -2,-0.4 2,-0.6 -0.930 10.2-156.4-110.4 124.4 -20.3 -0.9 4.7 33 45 A Y E -ac 10 122A 14 -24,-2.6 -22,-2.9 -2,-0.5 2,-0.5 -0.910 16.1-171.6-102.3 121.7 -18.2 -0.6 1.6 34 46 A E E - c 0 123A 13 88,-2.5 91,-2.1 -2,-0.6 90,-0.7 -0.953 26.6-149.4-126.4 125.0 -14.5 -1.2 2.3 35 47 A R S S+ 0 0 167 -2,-0.5 91,-0.1 89,-0.3 -1,-0.1 0.858 70.5 99.4 -49.7 -49.8 -11.5 -0.7 0.0 36 48 A D S S- 0 0 42 88,-0.1 88,-3.4 1,-0.1 89,-0.3 0.003 80.6-122.8 -49.6 148.5 -9.5 -3.5 1.7 37 49 A N S S- 0 0 103 86,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.787 76.2 -25.8 -67.4 -32.6 -9.4 -6.7 -0.1 38 50 A D S > S- 0 0 51 85,-0.1 3,-2.1 84,-0.1 -1,-0.2 -0.981 73.7 -75.6-173.7 168.1 -10.8 -8.9 2.7 39 51 A R T 3 S+ 0 0 76 -2,-0.3 74,-0.1 1,-0.3 -3,-0.0 0.702 120.5 56.0 -44.4 -35.4 -11.2 -9.4 6.5 40 52 A E T 3 + 0 0 61 2,-0.1 -1,-0.3 -4,-0.0 2,-0.1 0.314 69.5 130.1 -93.2 8.6 -7.6 -10.4 7.0 41 53 A A < - 0 0 27 -3,-2.1 2,-0.2 1,-0.1 -5,-0.0 -0.422 65.6-113.9 -59.3 128.6 -5.8 -7.4 5.5 42 54 A R - 0 0 159 -2,-0.1 2,-0.6 1,-0.0 -1,-0.1 -0.521 23.0-144.7 -67.2 129.5 -3.2 -6.3 8.0 43 55 A I - 0 0 53 -2,-0.2 2,-0.3 2,-0.1 63,-0.2 -0.880 16.4-141.2 -95.0 125.8 -3.9 -2.9 9.5 44 56 A F + 0 0 90 -2,-0.6 2,-0.2 61,-0.1 137,-0.0 -0.662 53.3 67.1 -88.9 147.7 -0.7 -1.1 10.1 45 57 A G S S- 0 0 14 -2,-0.3 60,-0.2 0, 0.0 -2,-0.1 -0.668 76.8 -72.5 134.1 164.6 -0.2 1.1 13.2 46 58 A G - 0 0 12 -2,-0.2 59,-0.3 1,-0.2 2,-0.2 0.190 65.0 -66.9 -71.2-161.9 0.0 1.0 16.9 47 59 A T - 0 0 26 57,-0.1 2,-0.3 175,-0.1 57,-0.2 -0.504 38.0-135.2 -97.0 164.2 -2.8 0.2 19.4 48 60 A L E -E 103 0B 19 55,-2.2 55,-3.0 -2,-0.2 2,-0.4 -0.829 9.7-153.6-114.3 149.8 -5.9 2.2 20.3 49 61 A D E -E 102 0B 27 -2,-0.3 2,-0.4 258,-0.2 262,-0.2 -0.998 9.7-144.1-129.1 128.7 -7.2 2.8 23.8 50 62 A L - 0 0 0 51,-0.7 50,-0.3 -2,-0.4 2,-0.2 -0.779 18.6-133.9 -94.0 131.1 -11.0 3.5 24.4 51 63 A H > > - 0 0 33 -2,-0.4 5,-2.4 48,-0.2 3,-1.4 -0.568 14.8-118.9 -89.4 148.7 -11.8 6.0 27.1 52 64 A K T 3 5S+ 0 0 104 1,-0.3 -1,-0.1 -2,-0.2 46,-0.0 0.794 110.4 40.9 -56.3 -32.7 -14.5 5.5 29.9 53 65 A G T 3 5S+ 0 0 70 3,-0.1 -1,-0.3 4,-0.0 -3,-0.0 0.562 131.5 10.8 -90.7 -7.3 -16.6 8.5 28.8 54 66 A S T X>5S+ 0 0 22 -3,-1.4 4,-1.4 3,-0.1 3,-1.3 0.434 126.2 32.3-132.9 -89.8 -16.5 8.1 25.1 55 67 A G H 3>5S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.859 119.7 51.8 -49.7 -45.4 -15.1 5.2 23.3 56 68 A Q H 3> S+ 0 0 81 -3,-1.3 4,-2.3 -6,-0.5 -1,-0.2 0.862 104.3 49.5 -71.1 -35.5 -19.7 4.1 25.8 58 70 A A H X S+ 0 0 0 -4,-1.4 4,-1.2 -3,-0.4 -2,-0.2 0.941 114.0 45.5 -67.2 -45.7 -20.0 3.2 22.1 59 71 A M H X>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 4,-0.7 0.919 111.4 53.2 -63.2 -43.4 -18.9 -0.3 22.8 60 72 A K H ><5S+ 0 0 127 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.911 109.4 47.4 -56.8 -45.0 -21.2 -0.5 25.8 61 73 A K H 3<5S+ 0 0 104 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.730 112.4 52.0 -69.6 -23.1 -24.1 0.6 23.6 62 74 A A H 3<5S- 0 0 6 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.576 114.4-118.5 -85.5 -9.3 -22.9 -2.0 21.1 63 75 A G T <<5S+ 0 0 47 -3,-1.1 -3,-0.2 -4,-0.7 4,-0.1 0.688 88.4 107.5 72.1 24.0 -22.8 -4.8 23.8 64 76 A L >< + 0 0 16 -5,-2.8 4,-2.6 -6,-0.1 -4,-0.2 0.313 35.1 100.0-114.6 7.7 -19.1 -5.1 23.1 65 77 A L H > S+ 0 0 32 -6,-0.5 4,-3.5 1,-0.2 5,-0.2 0.952 85.3 48.6 -63.8 -47.5 -17.3 -3.5 26.2 66 78 A Q H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.906 111.4 50.0 -61.4 -40.0 -16.5 -6.8 27.9 67 79 A T H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.909 110.3 50.8 -66.9 -42.0 -15.1 -8.2 24.7 68 80 A Y H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.923 111.6 48.1 -57.7 -46.4 -13.0 -5.1 24.4 69 81 A Y H < S+ 0 0 54 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.938 109.5 54.1 -59.1 -40.6 -11.8 -5.6 27.9 70 82 A D H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.839 117.8 33.8 -63.0 -37.4 -11.1 -9.3 27.2 71 83 A L H < S+ 0 0 27 -4,-2.0 33,-0.2 -5,-0.1 -1,-0.2 0.681 102.7 92.1 -93.5 -15.2 -8.9 -8.6 24.3 72 84 A A < - 0 0 13 -4,-1.8 31,-0.2 -5,-0.2 -23,-0.1 -0.391 61.2-148.7 -88.2 152.6 -7.3 -5.2 25.6 73 85 A L B -F 102 0B 72 29,-2.9 29,-2.4 -2,-0.1 2,-0.2 -0.968 11.4-138.1-125.4 112.2 -4.1 -5.1 27.6 74 86 A P - 0 0 38 0, 0.0 2,-0.4 0, 0.0 17,-0.1 -0.523 28.2-158.6 -69.1 146.6 -3.7 -2.4 30.1 75 87 A M - 0 0 9 -2,-0.2 125,-0.1 25,-0.1 2,-0.1 -0.974 17.3-138.8-136.6 144.9 -0.3 -0.8 30.1 76 88 A G - 0 0 1 123,-0.4 125,-2.5 -2,-0.4 2,-0.4 -0.263 24.7-131.9 -76.8 174.2 2.1 1.2 32.2 77 89 A V E -Gh 89 201C 31 12,-1.8 12,-3.1 123,-0.2 2,-0.4 -0.999 13.7-166.2-137.9 132.0 4.2 4.0 30.9 78 90 A N E -Gh 88 202C 3 123,-3.2 125,-1.7 -2,-0.4 2,-0.5 -0.928 8.0-155.4-112.6 135.9 7.9 4.7 31.3 79 91 A I E +Gh 87 203C 16 8,-2.5 7,-3.1 -2,-0.4 8,-1.6 -0.983 21.9 178.0-109.1 125.2 9.3 8.1 30.4 80 92 A A E -G 85 0C 1 123,-2.2 125,-0.5 -2,-0.5 5,-0.2 -0.844 22.4-132.2-120.4 155.1 13.0 7.9 29.6 81 93 A D - 0 0 10 3,-2.5 125,-0.1 -2,-0.3 286,-0.0 -0.473 57.8 -71.0 -91.0 177.9 15.7 10.4 28.5 82 94 A E S S+ 0 0 25 123,-0.2 175,-2.5 -2,-0.2 178,-0.2 0.401 133.3 5.8 -60.9 2.8 18.1 9.9 25.5 83 95 A K S S+ 0 0 39 1,-0.2 -1,-0.1 173,-0.2 173,-0.0 0.189 121.8 35.2-127.5 -68.3 19.7 7.2 27.9 84 96 A G S S- 0 0 20 -4,-0.1 -3,-2.5 1,-0.1 2,-0.5 -0.099 77.1 -86.4 -92.4 174.6 17.9 6.4 31.5 85 97 A N E +G 80 0C 81 -5,-0.2 -5,-0.3 1,-0.1 3,-0.1 -0.704 33.8 172.6 -88.6 129.2 14.4 6.0 33.2 86 98 A I E + 0 0 6 -7,-3.1 2,-0.3 -2,-0.5 -6,-0.2 0.789 66.1 7.0-105.4 -34.4 12.8 9.1 34.6 87 99 A L E -G 79 0C 45 -8,-1.6 -8,-2.5 628,-0.0 2,-0.4 -0.979 53.4-163.6-150.8 145.1 9.2 8.0 35.6 88 100 A S E -G 78 0C 76 -2,-0.3 2,-0.8 -10,-0.2 -10,-0.2 -0.973 5.7-176.0-131.2 107.9 7.5 4.6 35.8 89 101 A T E -G 77 0C 65 -12,-3.1 -12,-1.8 -2,-0.4 2,-0.1 -0.860 10.4-172.4-106.1 94.7 3.7 4.6 36.0 90 102 A K - 0 0 82 -2,-0.8 2,-0.5 -14,-0.2 -15,-0.1 -0.423 34.2 -97.1 -75.6 161.5 2.6 1.0 36.4 91 103 A N - 0 0 56 -2,-0.1 2,-0.3 -17,-0.1 -15,-0.1 -0.745 31.7-140.0 -88.5 128.2 -1.2 0.4 36.3 92 104 A V >> - 0 0 79 -2,-0.5 3,-2.8 1,-0.1 4,-0.5 -0.598 24.5-113.8 -82.6 145.7 -3.0 0.1 39.6 93 105 A K G >4 S+ 0 0 58 1,-0.3 3,-0.7 -2,-0.3 4,-0.2 0.781 115.5 52.8 -58.1 -32.1 -5.7 -2.5 39.8 94 106 A P G 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.527 111.4 49.6 -78.3 -3.2 -8.6 -0.0 40.1 95 107 A E G X4 S+ 0 0 46 -3,-2.8 3,-1.0 1,-0.1 -2,-0.2 0.398 82.8 94.1-106.5 2.4 -7.3 1.8 37.0 96 108 A N T << S+ 0 0 76 -3,-0.7 -1,-0.1 -4,-0.5 -3,-0.1 0.637 92.2 36.3 -79.0 -18.1 -7.0 -1.2 34.6 97 109 A R T 3 S+ 0 0 27 -4,-0.2 2,-0.8 -3,-0.1 -1,-0.3 0.374 100.5 107.1 -97.5 1.4 -10.4 -1.1 32.9 98 110 A F S < S- 0 0 103 -3,-1.0 -47,-0.1 1,-0.2 -3,-0.0 -0.726 103.5 -55.1-108.5 104.0 -10.2 2.6 33.0 99 111 A D S S+ 0 0 35 -2,-0.8 -1,-0.2 1,-0.2 -48,-0.2 0.752 122.6 80.9 45.7 39.8 -9.6 4.7 29.9 100 112 A N + 0 0 23 -50,-0.3 -1,-0.2 -3,-0.2 -27,-0.1 0.681 41.8 119.4-134.1 -57.7 -6.5 2.6 29.4 101 113 A P - 0 0 4 0, 0.0 -51,-0.7 0, 0.0 2,-0.3 -0.033 51.9-142.3 -62.2 121.7 -6.7 -0.8 27.9 102 114 A E E -EF 49 73B 9 -29,-2.4 -29,-2.9 -53,-0.2 2,-0.4 -0.604 19.3-169.3 -72.7 130.7 -4.7 -0.9 24.7 103 115 A I E -E 48 0B 1 -55,-3.0 -55,-2.2 -2,-0.3 2,-0.2 -0.939 22.9-118.5-125.9 143.8 -6.2 -2.9 21.9 104 116 A N > - 0 0 24 -2,-0.4 4,-2.3 -33,-0.2 5,-0.1 -0.495 25.2-126.4 -74.1 147.5 -4.7 -4.1 18.6 105 117 A R H > S+ 0 0 81 -59,-0.3 4,-2.4 2,-0.2 5,-0.2 0.857 108.5 48.2 -71.4 -36.7 -6.4 -2.7 15.5 106 118 A N H > S+ 0 0 32 -63,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.941 111.5 52.4 -68.5 -41.1 -7.1 -6.0 13.8 107 119 A D H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.928 110.1 47.6 -54.2 -48.3 -8.4 -7.3 17.1 108 120 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.919 112.9 49.4 -59.2 -48.5 -10.8 -4.3 17.4 109 121 A R H X S+ 0 0 14 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.875 108.4 53.0 -57.6 -40.4 -11.9 -4.9 13.7 110 122 A A H X S+ 0 0 8 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.888 109.4 49.5 -67.6 -35.5 -12.5 -8.5 14.4 111 123 A I H X S+ 0 0 4 -4,-2.2 4,-1.3 -5,-0.2 3,-0.3 0.991 115.1 43.4 -64.3 -53.0 -14.8 -7.6 17.4 112 124 A L H >X S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 4,-0.6 0.965 114.5 48.3 -59.6 -55.6 -16.7 -5.1 15.4 113 125 A L H >< S+ 0 0 31 -4,-3.1 3,-0.7 1,-0.3 -1,-0.2 0.803 109.2 54.0 -52.6 -34.5 -17.1 -7.3 12.3 114 126 A N H 3< S+ 0 0 83 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.799 102.0 58.8 -74.4 -24.7 -18.2 -10.3 14.3 115 127 A S H << S+ 0 0 24 -3,-1.4 -1,-0.2 -4,-1.3 -2,-0.2 0.634 96.5 83.2 -79.4 -13.3 -21.0 -8.3 15.9 116 128 A L S << S- 0 0 12 -3,-0.7 3,-0.1 -4,-0.6 -95,-0.1 -0.520 87.9 -98.5 -94.6 156.0 -22.5 -7.6 12.5 117 129 A E > - 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