==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 03-JUL-00 1E4E . COMPND 2 MOLECULE: VANCOMYCIN/TEICOPLANIN A-TYPE RESISTANCE PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECIUM; . AUTHOR D.I.ROPER . 681 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26946.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 18.6 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 71 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 0 0 0 0 6 2 2 0 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 0 4 7 5 3 3 0 0 1 1 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 2 2 0 3 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 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 N 0 0 150 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 165.9 8.0 35.8 35.6 2 3 A R - 0 0 100 1,-0.0 2,-0.5 30,-0.0 33,-0.3 -0.590 360.0 -92.3 -77.6 156.2 9.5 36.7 32.3 3 4 A I E -a 35 0A 44 31,-2.7 33,-2.5 -2,-0.2 2,-0.6 -0.648 40.0-130.7 -73.6 121.6 13.1 35.4 31.8 4 5 A K E -a 36 0A 55 -2,-0.5 87,-2.5 31,-0.2 88,-1.6 -0.741 28.0-170.1 -74.6 119.5 15.5 38.2 33.0 5 6 A V E -ab 37 92A 0 31,-2.0 33,-3.1 -2,-0.6 2,-0.6 -0.917 15.2-148.5-113.6 112.6 18.0 38.7 30.3 6 7 A A E -ab 38 93A 0 86,-2.3 88,-3.2 -2,-0.5 2,-0.6 -0.690 15.2-163.5 -82.4 122.4 21.1 40.9 30.8 7 8 A I E -ab 39 94A 0 31,-2.9 33,-2.2 -2,-0.6 2,-0.3 -0.941 3.6-163.9-111.5 106.0 22.0 42.5 27.5 8 9 A L E +ab 40 95A 0 86,-1.3 88,-3.0 -2,-0.6 2,-0.3 -0.710 18.5 157.7 -91.7 141.4 25.5 43.9 27.4 9 10 A F E +a 41 0A 0 31,-2.3 33,-2.2 -2,-0.3 2,-0.8 -0.982 36.4 37.7-159.5 166.0 26.6 46.3 24.7 10 11 A G E -a 42 0A 1 -2,-0.3 88,-0.4 86,-0.3 9,-0.2 -0.830 68.2-176.3 91.7-108.3 29.1 49.0 23.8 11 12 A G - 0 0 0 31,-2.3 2,-1.5 -2,-0.8 5,-0.1 0.053 43.5 -79.2 102.4 152.7 32.5 48.1 25.2 12 13 A C S S+ 0 0 50 88,-0.1 2,-0.3 33,-0.1 32,-0.1 -0.731 96.4 100.2 -88.8 82.7 36.0 49.3 25.6 13 14 A S S > S- 0 0 15 -2,-1.5 3,-1.9 88,-0.1 4,-0.1 -0.948 86.1-112.9-165.0 141.2 36.7 48.2 22.0 14 15 A E T 3 S+ 0 0 41 -2,-0.3 3,-0.4 1,-0.3 4,-0.2 0.676 115.8 62.2 -57.2 -17.4 37.0 49.8 18.6 15 16 A E T >> S+ 0 0 8 83,-0.4 4,-2.4 1,-0.2 3,-0.9 0.382 70.4 115.4 -90.4 14.9 33.8 48.0 17.5 16 17 A H H <> S+ 0 0 13 -3,-1.9 4,-1.8 1,-0.3 -6,-0.3 0.865 73.5 48.2 -42.5 -53.1 31.9 49.9 20.3 17 18 A D H 3> S+ 0 0 98 -3,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.817 110.5 50.1 -64.3 -29.1 29.7 51.7 17.8 18 19 A V H <> S+ 0 0 12 -3,-0.9 4,-2.3 1,-0.2 293,-0.3 0.846 109.5 54.0 -77.3 -31.9 28.8 48.7 15.8 19 20 A S H X S+ 0 0 0 -4,-2.4 4,-3.5 2,-0.2 -2,-0.2 0.916 104.0 51.6 -66.8 -41.8 27.9 47.0 19.1 20 21 A V H X S+ 0 0 11 -4,-1.8 4,-3.7 1,-0.2 -1,-0.2 0.960 112.5 49.5 -60.1 -45.8 25.5 49.7 20.2 21 22 A K H X S+ 0 0 54 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.912 109.1 50.7 -55.8 -44.0 23.8 49.3 16.8 22 23 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.959 112.7 47.3 -60.6 -47.8 23.7 45.5 17.3 23 24 A A H X S+ 0 0 0 -4,-3.5 4,-3.1 1,-0.2 5,-0.3 0.878 103.5 61.3 -63.1 -37.4 22.1 46.1 20.6 24 25 A I H X S+ 0 0 55 -4,-3.7 4,-1.8 1,-0.2 -1,-0.2 0.963 107.7 44.6 -55.2 -48.9 19.6 48.6 19.2 25 26 A E H X S+ 0 0 51 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.918 112.1 51.5 -56.8 -47.0 18.2 45.9 17.0 26 27 A I H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.3 3,-1.6 0.947 108.8 50.2 -65.3 -42.8 18.1 43.3 19.6 27 28 A A H 3< S+ 0 0 18 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.834 109.6 53.0 -63.0 -28.4 16.3 45.6 22.0 28 29 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.616 119.2 31.5 -81.8 -9.0 13.8 46.3 19.3 29 30 A N H << S+ 0 0 50 -3,-1.6 -2,-0.2 -4,-0.9 -3,-0.1 0.613 82.1 109.8-118.8 -19.2 13.0 42.6 18.5 30 31 A I S < S- 0 0 7 -4,-2.1 2,-0.9 -5,-0.2 300,-0.1 -0.263 78.8-109.3 -57.1 144.3 13.4 40.5 21.7 31 32 A N >> - 0 0 64 298,-0.3 4,-2.9 1,-0.2 3,-0.5 -0.650 28.6-167.3 -81.7 109.3 10.0 39.4 22.8 32 33 A K T 34 S+ 0 0 88 -2,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.475 83.2 68.1 -78.5 6.7 9.0 41.4 25.9 33 34 A E T 34 S+ 0 0 170 1,-0.1 -1,-0.2 -31,-0.0 -2,-0.1 0.920 116.7 24.7 -80.8 -45.2 6.1 39.1 26.6 34 35 A K T <4 S+ 0 0 78 -3,-0.5 -31,-2.7 -32,-0.1 2,-0.4 0.798 125.6 50.4 -85.4 -33.5 8.6 36.3 27.3 35 36 A Y E < -a 3 0A 1 -4,-2.9 -31,-0.2 -33,-0.3 -1,-0.1 -0.870 55.0-155.2-123.8 144.8 11.6 38.3 28.3 36 37 A E E -a 4 0A 61 -33,-2.5 -31,-2.0 -2,-0.4 2,-0.2 -0.899 28.4-151.0-109.0 99.8 12.5 41.1 30.6 37 38 A P E -a 5 0A 23 0, 0.0 2,-0.5 0, 0.0 -31,-0.2 -0.524 9.5-163.0 -76.8 138.6 15.6 42.8 29.1 38 39 A L E -a 6 0A 25 -33,-3.1 -31,-2.9 -2,-0.2 2,-0.6 -0.938 13.9-147.6-122.7 107.0 18.2 44.5 31.3 39 40 A Y E +aC 7 51A 8 12,-0.6 12,-2.7 -2,-0.5 2,-0.6 -0.621 18.5 177.1 -82.6 111.7 20.5 46.8 29.4 40 41 A I E -aC 8 50A 0 -33,-2.2 -31,-2.3 -2,-0.6 2,-0.3 -0.958 8.6-169.9-112.0 117.9 24.1 47.2 30.6 41 42 A G E -aC 9 49A 0 8,-2.9 8,-2.7 -2,-0.6 2,-0.5 -0.775 9.1-150.8 -98.9 146.8 26.2 49.5 28.4 42 43 A I E -aC 10 48A 6 -33,-2.2 -31,-2.3 -2,-0.3 6,-0.2 -0.993 20.1-125.4-119.2 130.7 29.9 49.7 28.9 43 44 A T > - 0 0 10 4,-2.7 3,-1.9 -2,-0.5 -27,-0.0 -0.004 29.7 -98.3 -65.1 175.8 31.6 52.9 28.0 44 45 A K T 3 S+ 0 0 135 1,-0.3 -1,-0.1 -32,-0.1 -28,-0.1 0.699 126.8 48.4 -66.1 -11.7 34.5 53.2 25.6 45 46 A S T 3 S- 0 0 75 2,-0.1 -1,-0.3 -33,-0.1 -33,-0.1 0.134 126.5 -90.8-121.6 26.3 36.5 53.3 28.6 46 47 A G S < S+ 0 0 3 -3,-1.9 368,-2.4 1,-0.2 2,-0.5 0.594 72.5 142.4 86.6 13.0 35.2 50.3 30.6 47 48 A V - 0 0 25 366,-0.2 -4,-2.7 367,-0.1 2,-0.5 -0.777 39.9-140.5 -99.5 132.6 32.5 51.8 32.8 48 49 A W E +C 42 0A 3 -2,-0.5 18,-1.3 -6,-0.2 2,-0.4 -0.772 25.7 168.4 -95.8 133.4 29.4 49.7 33.4 49 50 A K E -CD 41 65A 46 -8,-2.7 -8,-2.9 -2,-0.5 2,-0.5 -0.989 31.7-136.6-147.6 139.6 25.9 51.1 33.5 50 51 A M E +CD 40 64A 23 14,-2.8 14,-9.8 -2,-0.4 2,-0.2 -0.728 35.7 174.5 -87.4 127.1 22.3 49.9 33.5 51 52 A a E -C 39 0A 8 -12,-2.7 -12,-0.6 -2,-0.5 8,-0.1 -0.762 44.7-111.1-129.6 172.5 20.2 52.0 31.2 52 53 A E S S- 0 0 146 1,-0.3 -13,-0.1 -2,-0.2 -1,-0.1 0.864 92.5 -18.0 -69.8 -37.2 16.7 52.0 30.0 53 54 A K - 0 0 97 5,-0.2 -1,-0.3 -14,-0.1 2,-0.2 -0.987 67.4 -91.6-171.4 152.8 17.7 51.1 26.5 54 55 A P + 0 0 6 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.546 58.7 137.1 -68.6 131.9 20.4 50.8 23.9 55 56 A C > - 0 0 33 -2,-0.2 3,-1.1 1,-0.1 4,-0.1 -0.958 68.6 -87.2-162.1 169.1 20.6 53.9 21.7 56 57 A A T 3 S+ 0 0 79 1,-0.3 2,-0.4 -2,-0.3 3,-0.2 0.872 129.3 27.4 -50.3 -42.7 23.1 56.2 20.1 57 58 A E T 3 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 -0.589 77.3 147.8-124.1 76.7 23.2 58.4 23.2 58 59 A W < + 0 0 16 -3,-1.1 2,-0.5 -2,-0.4 5,-0.2 0.737 41.6 93.6 -79.4 -31.1 22.3 55.8 25.7 59 60 A E + 0 0 105 -3,-0.2 2,-0.3 -4,-0.1 -8,-0.1 -0.599 56.1 150.7 -72.5 128.0 24.4 57.3 28.6 60 61 A N > - 0 0 51 -2,-0.5 3,-0.8 0, 0.0 -2,-0.1 -0.864 67.4 -93.9-145.8 161.5 21.8 59.5 30.5 61 62 A E T 3 S+ 0 0 193 -2,-0.3 -2,-0.1 1,-0.2 0, 0.0 0.552 127.9 61.2 -65.7 5.0 21.3 60.6 34.1 62 63 A N T 3 S+ 0 0 120 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.837 77.1 107.2 -89.2 -35.7 19.1 57.6 34.1 63 64 A a < - 0 0 16 -3,-0.8 -12,-0.4 -5,-0.2 2,-0.3 -0.215 67.7-121.7 -45.2 113.3 21.8 54.9 33.2 64 65 A Y E -D 50 0A 96 -14,-9.8 -14,-2.8 -15,-0.2 2,-0.3 -0.357 6.9-129.7 -82.1 127.9 22.9 52.5 36.3 65 66 A S E +D 49 0A 32 -2,-0.3 15,-3.4 -16,-0.3 2,-0.3 -0.354 59.7 153.2 -54.3 113.4 26.2 51.9 37.8 66 67 A A E -F 79 0B 0 -18,-1.3 2,-0.4 -2,-0.3 13,-0.2 -0.928 28.0-173.2-157.6 119.1 25.7 48.1 37.5 67 68 A V E -F 78 0B 1 11,-2.4 11,-2.9 -2,-0.3 2,-0.4 -0.897 28.3-123.8-118.0 152.5 28.0 45.2 37.1 68 69 A L E -F 77 0B 0 -2,-0.4 9,-0.2 9,-0.2 -2,-0.0 -0.782 39.4-139.3 -85.4 127.3 27.5 41.5 36.5 69 70 A S - 0 0 1 7,-2.4 7,-0.2 -2,-0.4 342,-0.1 -0.683 11.9-137.1 -95.8 152.7 29.2 39.8 39.4 70 71 A P S S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.491 71.1 113.9 -84.0 -3.9 31.4 36.7 39.3 71 72 A D > - 0 0 5 5,-0.1 4,-1.8 1,-0.1 5,-0.4 -0.541 59.0-151.7 -75.1 124.0 29.6 35.3 42.3 72 73 A K T 4 S+ 0 0 67 316,-2.3 317,-0.2 -2,-0.4 -1,-0.1 0.780 95.3 50.0 -63.4 -33.4 27.5 32.1 41.9 73 74 A K T 4 S+ 0 0 178 315,-0.3 -1,-0.2 1,-0.2 316,-0.1 0.927 108.6 51.5 -73.6 -40.4 25.1 32.9 44.7 74 75 A M T 4 S- 0 0 12 2,-0.1 16,-0.2 1,-0.1 -2,-0.2 0.884 82.7-175.5 -58.9 -34.3 24.4 36.4 43.5 75 76 A H < + 0 0 48 -4,-1.8 15,-2.4 39,-0.2 2,-0.3 0.871 61.8 18.8 38.0 51.6 23.7 34.9 40.0 76 77 A G E S- G 0 89B 0 -5,-0.4 -7,-2.4 -7,-0.2 13,-0.2 -0.912 99.3 -12.6 164.0-137.1 23.3 38.3 38.5 77 78 A L E -FG 68 88B 0 11,-3.5 11,-1.8 -2,-0.3 2,-0.6 -0.623 27.7-142.5-110.7 156.7 24.1 42.0 39.1 78 79 A L E -FG 67 87B 0 -11,-2.9 -11,-2.4 -2,-0.2 2,-0.5 -0.979 36.8-171.9-104.8 107.0 25.4 44.5 41.7 79 80 A V E -FG 66 86B 0 7,-3.3 7,-3.0 -2,-0.6 2,-0.7 -0.928 19.4-135.1-111.2 128.9 23.3 47.6 40.9 80 81 A K E + G 0 85B 93 -15,-3.4 2,-0.4 -2,-0.5 5,-0.2 -0.740 38.1 153.9 -87.6 115.1 23.9 51.0 42.5 81 82 A K E > + G 0 84B 56 3,-2.7 3,-1.5 -2,-0.7 -2,-0.1 -0.987 69.5 8.3-142.5 133.0 20.7 52.6 43.7 82 83 A N T 3 S- 0 0 140 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.846 130.3 -65.3 64.2 37.7 20.5 55.1 46.5 83 84 A H T 3 S+ 0 0 143 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.544 118.4 104.7 63.2 8.2 24.2 55.2 46.5 84 85 A E E < S-G 81 0B 97 -3,-1.5 -3,-2.7 -5,-0.1 2,-0.3 -0.973 71.1-124.2-122.2 138.5 24.2 51.5 47.6 85 86 A Y E -G 80 0B 24 342,-0.5 342,-0.4 -2,-0.4 2,-0.3 -0.560 34.8-175.6 -73.0 128.1 25.0 48.5 45.5 86 87 A E E -G 79 0B 87 -7,-3.0 -7,-3.3 -2,-0.3 2,-0.6 -0.973 26.1-106.5-127.2 159.8 22.4 45.9 45.5 87 88 A I E -G 78 0B 73 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.661 30.5-178.8 -84.0 118.2 21.8 42.4 44.1 88 89 A N E -G 77 0B 37 -11,-1.8 -11,-3.5 -2,-0.6 -2,-0.0 -0.970 24.7-127.4-114.4 126.1 19.6 41.9 41.2 89 90 A H E -G 76 0B 86 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.230 22.3-168.0 -70.3 145.1 19.0 38.4 39.9 90 91 A V - 0 0 0 -15,-2.4 -85,-0.2 -16,-0.2 3,-0.1 -0.984 13.6-161.3-130.4 146.9 19.5 37.6 36.2 91 92 A D S S- 0 0 43 -87,-2.5 2,-0.3 -2,-0.3 -86,-0.2 0.858 73.2 -1.9 -91.5 -35.1 18.4 34.4 34.4 92 93 A V E -b 5 0A 0 -88,-1.6 -86,-2.3 24,-0.1 2,-0.4 -0.970 63.7-134.8-155.0 151.3 20.5 34.5 31.3 93 94 A A E -be 6 118A 0 24,-2.3 26,-2.4 -2,-0.3 2,-0.5 -0.973 13.2-174.5-121.4 133.0 23.2 36.7 29.7 94 95 A F E -b 7 0A 0 -88,-3.2 -86,-1.3 -2,-0.4 2,-0.6 -0.917 12.3-157.8-126.0 103.9 23.4 37.8 26.2 95 96 A S E -b 8 0A 6 -2,-0.5 -86,-0.2 24,-0.3 -88,-0.1 -0.691 16.0-179.9 -84.1 124.7 26.4 39.8 25.3 96 97 A A + 0 0 0 -88,-3.0 -86,-0.3 -2,-0.6 2,-0.2 0.203 42.3 124.8-104.4 17.5 26.2 42.0 22.2 97 98 A L - 0 0 1 -88,-0.2 2,-0.4 5,-0.1 -86,-0.1 -0.536 48.1-148.7 -70.6 149.3 29.8 43.3 22.6 98 99 A H - 0 0 5 -88,-0.4 -83,-0.4 -2,-0.2 4,-0.1 -0.898 48.1 -20.6-119.7 144.0 32.0 42.8 19.6 99 100 A G S >>>S+ 0 0 0 -2,-0.4 4,-2.7 209,-0.2 3,-2.5 -0.421 111.1 45.8 71.0-147.4 35.8 42.2 19.3 100 101 A K T 345S- 0 0 49 1,-0.3 -2,-0.1 73,-0.3 -88,-0.1 0.019 132.9 -3.6 -36.3 121.0 38.0 43.3 22.3 101 102 A S T 345S+ 0 0 18 1,-0.1 6,-1.5 -90,-0.1 -1,-0.3 0.060 134.5 62.4 82.3 -22.4 36.5 42.1 25.6 102 103 A G T <45S+ 0 0 0 -3,-2.5 -2,-0.2 4,-0.2 6,-0.1 0.828 113.5 18.8-103.6 -43.3 33.6 40.8 23.8 103 104 A E T <5S+ 0 0 10 -4,-2.7 27,-0.2 1,-0.1 -3,-0.2 0.067 110.2 76.3-106.6 12.0 34.6 38.0 21.3 104 105 A D S S+ 0 0 0 -3,-0.1 4,-1.7 21,-0.1 346,-0.1 0.425 94.3 111.1 87.8 1.1 36.6 35.3 25.9 106 107 A S H > S+ 0 0 0 2,-0.2 4,-1.4 3,-0.1 349,-0.2 0.954 84.9 38.6 -62.3 -58.3 36.9 38.1 28.4 107 108 A I H > S+ 0 0 0 -6,-1.5 4,-2.7 1,-0.2 3,-0.4 0.930 115.6 55.0 -59.4 -45.2 33.2 38.5 28.9 108 109 A Q H > S+ 0 0 10 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.856 102.0 58.7 -57.3 -35.0 32.8 34.7 28.6 109 110 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.922 109.2 42.4 -58.3 -45.6 35.3 34.4 31.5 110 111 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.928 112.8 53.7 -68.7 -44.1 33.1 36.5 33.8 111 112 A F H X>S+ 0 0 2 -4,-2.7 4,-1.0 1,-0.2 5,-0.7 0.949 108.6 49.9 -57.8 -45.9 30.0 34.7 32.5 112 113 A E H ><5S+ 0 0 73 -4,-3.5 3,-0.8 1,-0.2 -1,-0.2 0.927 110.5 49.5 -56.6 -41.1 31.7 31.3 33.4 113 114 A L H 3<5S+ 0 0 8 -4,-2.0 -1,-0.2 1,-0.3 -41,-0.2 0.902 110.8 50.7 -67.7 -39.9 32.6 32.5 37.0 114 115 A S H 3<5S- 0 0 0 -4,-2.5 -1,-0.3 -5,-0.1 -39,-0.2 0.604 97.2-136.7 -69.5 -21.8 29.0 33.8 37.6 115 116 A G T <<5 + 0 0 37 -4,-1.0 -3,-0.1 -3,-0.8 -2,-0.1 0.539 54.4 143.2 70.7 2.2 27.3 30.5 36.5 116 117 A I < - 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