==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 28-OCT-02 1N3F . COMPND 2 MOLECULE: 5'-D(*CP*GP*AP*AP*AP*CP*TP*GP*TP*CP*TP*CP*GP*A)- . SOURCE 2 SYNTHETIC: YES; . AUTHOR B.CHEVALIER,M.TURMEL,C.LEMIEUX,R.J.MONNAT,B.L.STODDARD . 596 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 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 . 4 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 . 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 . 28 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 42.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 1 1 0 0 0 0 8 0 0 4 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 3 4 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 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 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 3 A T 0 0 119 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.4 -8.8 55.3 -5.5 2 4 A K - 0 0 189 86,-0.0 2,-0.1 0, 0.0 83,-0.1 -0.869 360.0-140.9-100.2 118.7 -8.3 57.8 -2.6 3 5 A Y - 0 0 17 -2,-0.6 2,-0.2 1,-0.1 57,-0.1 -0.437 23.1-100.2 -81.7 150.6 -7.0 56.3 0.6 4 6 A N >> - 0 0 112 -2,-0.1 4,-2.4 1,-0.1 3,-0.6 -0.479 26.8-133.8 -68.9 131.1 -8.1 57.3 4.1 5 7 A K H 3> S+ 0 0 99 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.859 103.7 53.1 -54.0 -44.4 -5.6 59.7 5.7 6 8 A E H 3> S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.858 111.1 48.9 -63.2 -31.9 -5.5 57.9 9.1 7 9 A F H <> S+ 0 0 15 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.933 110.3 50.8 -69.8 -46.3 -4.7 54.6 7.2 8 10 A L H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.885 109.5 51.1 -59.7 -38.3 -2.0 56.4 5.3 9 11 A L H X S+ 0 0 10 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.934 113.6 43.0 -65.4 -47.8 -0.4 57.7 8.5 10 12 A Y H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 3,-0.2 0.951 115.5 49.2 -63.0 -48.4 -0.3 54.3 10.2 11 13 A L H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.842 105.4 58.1 -61.6 -33.4 0.9 52.6 7.1 12 14 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 82,-0.3 0.912 109.4 45.0 -63.9 -40.0 3.7 55.2 6.6 13 15 A G H X S+ 0 0 0 -4,-1.6 4,-1.7 -3,-0.2 -2,-0.2 0.938 113.3 49.4 -68.1 -44.0 5.0 54.3 10.0 14 16 A F H X>S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.5 0.906 113.1 47.9 -61.5 -40.4 4.7 50.6 9.4 15 17 A V H X5S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.924 106.6 54.4 -66.4 -46.5 6.5 51.0 6.0 16 18 A D H <5S+ 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.865 119.2 39.0 -56.2 -32.1 9.3 53.1 7.5 17 19 A G H <5S+ 0 0 11 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.978 140.1 0.3 -81.5 -63.2 9.7 50.2 9.9 18 20 A D H <5S+ 0 0 45 -4,-3.3 26,-1.7 -5,-0.1 -3,-0.2 0.368 107.8 92.1-112.7 5.1 9.2 47.0 7.9 19 21 A G E << -A 43 0A 8 -4,-2.1 2,-0.3 -5,-0.5 24,-0.3 -0.298 54.9-148.7 -93.3-179.3 8.5 48.1 4.4 20 22 A S E -A 42 0A 29 22,-2.3 22,-2.6 -2,-0.1 2,-0.6 -0.978 9.3-156.5-152.0 135.0 10.8 48.6 1.4 21 23 A I E -A 41 0A 1 -2,-0.3 2,-0.4 20,-0.2 20,-0.2 -0.960 32.5-170.6-113.0 107.1 10.6 51.0 -1.6 22 24 A I E -A 40 0A 34 18,-3.7 18,-3.1 -2,-0.6 2,-0.4 -0.846 22.6-175.7-113.0 137.4 12.7 49.2 -4.2 23 25 A A E +A 39 0A 9 -2,-0.4 2,-0.3 16,-0.2 16,-0.2 -0.996 18.6 179.7-126.6 131.3 14.0 50.2 -7.7 24 26 A Q E -A 38 0A 75 14,-3.2 14,-3.2 -2,-0.4 2,-0.6 -0.953 30.0-146.8-136.9 155.9 15.9 47.6 -9.8 25 27 A I E -A 37 0A 8 116,-0.4 12,-0.2 -2,-0.3 116,-0.2 -0.972 26.1-164.1-118.2 108.9 17.6 47.2 -13.1 26 28 A K E -A 36 0A 84 10,-3.4 10,-3.3 -2,-0.6 2,-0.2 -0.875 16.5-133.8-106.0 114.6 17.1 43.6 -14.3 27 29 A P E +A 35 0A 81 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.458 42.5 154.7 -61.8 122.6 19.3 42.2 -17.1 28 30 A N > - 0 0 68 6,-2.5 3,-1.4 -2,-0.2 6,-0.1 -0.880 40.6-147.2-158.2 121.6 16.9 40.5 -19.5 29 31 A Q T 3 S+ 0 0 144 -2,-0.3 5,-0.2 1,-0.3 6,-0.1 0.715 92.3 69.9 -64.0 -24.4 17.4 39.9 -23.2 30 32 A S T 3 S+ 0 0 100 4,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.441 88.8 88.8 -76.0 5.8 13.8 40.2 -24.3 31 33 A Y S X S- 0 0 83 -3,-1.4 3,-1.5 1,-0.1 5,-0.1 -0.732 85.7-116.2-105.9 155.4 14.0 43.9 -23.5 32 34 A K T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.951 115.6 26.9 -46.0 -71.4 15.1 46.9 -25.7 33 35 A F T 3 S- 0 0 46 2,-0.4 -1,-0.3 1,-0.1 -4,-0.1 0.063 116.9-104.9 -86.6 26.2 18.2 47.9 -23.8 34 36 A K S < S+ 0 0 93 -3,-1.5 -6,-2.5 -5,-0.2 2,-0.3 0.581 96.4 84.9 63.9 10.8 18.7 44.4 -22.4 35 37 A H E -A 27 0A 14 -8,-0.3 2,-0.5 -6,-0.1 -2,-0.4 -0.999 65.6-144.3-145.1 141.0 17.4 45.5 -19.0 36 38 A Q E -A 26 0A 63 -10,-3.3 -10,-3.4 -2,-0.3 2,-0.6 -0.889 18.1-136.3-104.8 132.0 14.0 45.9 -17.4 37 39 A L E -A 25 0A 27 -2,-0.5 2,-0.5 -12,-0.2 -12,-0.2 -0.791 28.8-167.4 -84.4 121.7 13.5 48.8 -14.9 38 40 A S E -A 24 0A 15 -14,-3.2 -14,-3.2 -2,-0.6 2,-0.4 -0.958 10.7-169.8-120.5 129.7 11.6 47.2 -12.0 39 41 A L E +A 23 0A 8 -2,-0.5 2,-0.4 38,-0.3 -16,-0.2 -0.958 9.2 179.0-118.7 132.0 9.8 49.1 -9.2 40 42 A T E -A 22 0A 17 -18,-3.1 -18,-3.7 -2,-0.4 2,-0.5 -0.991 20.8-169.0-139.7 135.3 8.5 47.5 -6.0 41 43 A F E +AB 21 76A 0 35,-2.0 35,-2.4 -2,-0.4 2,-0.3 -0.973 30.9 167.8-111.3 127.0 6.7 48.7 -2.9 42 44 A Q E -AB 20 75A 33 -22,-2.6 -22,-2.3 -2,-0.5 2,-0.4 -0.962 30.9-155.8-142.1 160.3 6.6 45.8 -0.3 43 45 A V E -AB 19 74A 0 31,-1.5 31,-2.9 -2,-0.3 2,-0.3 -0.990 20.0-152.6-135.1 123.8 5.9 45.2 3.3 44 46 A T E + B 0 73A 32 -26,-1.7 2,-0.3 -2,-0.4 29,-0.2 -0.773 22.1 158.6-101.4 144.1 7.5 42.1 4.9 45 47 A Q E - B 0 72A 11 27,-2.5 27,-2.5 -2,-0.3 -2,-0.0 -0.974 47.8 -86.0-163.0 147.7 6.0 40.2 7.9 46 48 A K E > - B 0 71A 74 -2,-0.3 3,-2.4 25,-0.2 25,-0.3 -0.253 43.3-121.1 -51.3 135.7 6.3 36.8 9.5 47 49 A T G > S+ 0 0 35 23,-1.9 3,-2.5 1,-0.3 4,-0.2 0.805 110.7 70.8 -54.4 -30.6 3.8 34.4 7.8 48 50 A Q G 3 S+ 0 0 125 22,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.813 102.7 45.3 -56.6 -27.6 2.0 33.9 11.1 49 51 A R G X> S+ 0 0 41 -3,-2.4 3,-1.7 1,-0.2 4,-0.9 -0.005 73.9 125.0-104.9 28.3 0.8 37.5 10.7 50 52 A R H <> + 0 0 84 -3,-2.5 4,-2.6 1,-0.3 3,-0.3 0.796 61.2 72.3 -56.5 -29.5 -0.1 37.0 7.0 51 53 A W H 3> S+ 0 0 131 -3,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.825 93.6 54.9 -56.3 -33.1 -3.6 38.2 7.9 52 54 A F H <> S+ 0 0 2 -3,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.902 109.1 46.0 -67.1 -42.8 -2.1 41.7 8.2 53 55 A L H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 -2,-0.2 0.890 110.2 53.5 -68.7 -38.5 -0.7 41.6 4.7 54 56 A D H X S+ 0 0 58 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.897 105.7 54.5 -61.5 -39.3 -3.9 40.2 3.3 55 57 A K H X S+ 0 0 76 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.860 103.4 55.9 -61.3 -37.5 -5.7 43.2 4.9 56 58 A L H X S+ 0 0 5 -4,-1.4 4,-2.8 1,-0.2 5,-0.5 0.896 104.3 53.3 -62.7 -39.5 -3.3 45.5 3.0 57 59 A V H X S+ 0 0 34 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.919 112.6 44.1 -61.0 -41.9 -4.4 43.8 -0.2 58 60 A D H < S+ 0 0 132 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.880 118.0 44.5 -68.7 -40.9 -8.0 44.6 0.6 59 61 A E H < S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.958 119.9 37.7 -68.6 -55.6 -7.3 48.1 1.8 60 62 A I H < S- 0 0 2 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.827 99.4-143.2 -67.6 -31.2 -5.0 49.2 -1.0 61 63 A G S < S+ 0 0 59 -4,-1.5 2,-0.3 -5,-0.5 -3,-0.1 0.489 70.3 58.6 82.0 4.6 -7.2 47.2 -3.4 62 64 A V S S+ 0 0 28 -6,-0.3 -1,-0.2 -5,-0.2 -2,-0.2 -0.923 73.4 53.9-153.4 169.3 -4.3 46.0 -5.6 63 65 A G - 0 0 18 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.237 63.7-118.8 89.6 178.0 -1.1 44.0 -5.2 64 66 A Y E -C 75 0A 134 11,-2.1 11,-3.5 -2,-0.1 2,-0.5 -0.963 13.6-104.6-153.7 170.1 -0.7 40.5 -3.6 65 67 A V E -C 74 0A 20 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.881 28.0-158.6-105.2 128.7 0.9 38.5 -0.9 66 68 A R E -C 73 0A 100 7,-3.0 7,-2.5 -2,-0.5 2,-0.5 -0.811 9.3-141.9-104.4 144.8 3.9 36.3 -1.6 67 69 A D E +C 72 0A 91 -2,-0.3 5,-0.2 5,-0.2 3,-0.1 -0.925 25.0 167.4-111.5 129.0 4.9 33.4 0.6 68 70 A R E > -C 71 0A 117 3,-2.7 3,-1.0 -2,-0.5 2,-0.5 -0.505 60.0 -85.3-137.4 66.6 8.6 32.5 1.4 69 71 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.2 -23,-0.1 -22,-0.1 -0.559 109.7 3.1 77.4-118.6 8.5 30.1 4.3 70 72 A S T 3 S+ 0 0 93 -2,-0.5 -23,-1.9 -3,-0.1 -22,-0.4 0.505 132.0 58.2 -82.4 -2.6 8.3 31.6 7.7 71 73 A V E < -BC 46 68A 40 -3,-1.0 -3,-2.7 -25,-0.3 2,-0.3 -0.925 63.7-174.2-127.3 151.0 8.1 35.0 6.1 72 74 A S E -BC 45 67A 0 -27,-2.5 -27,-2.5 -2,-0.3 2,-0.4 -0.918 9.0-147.3-138.5 164.9 5.7 36.6 3.6 73 75 A D E -BC 44 66A 0 -7,-2.5 -7,-3.0 -2,-0.3 2,-0.4 -0.997 14.2-138.4-141.7 138.4 5.4 39.9 1.7 74 76 A Y E -BC 43 65A 0 -31,-2.9 -31,-1.5 -2,-0.4 2,-0.4 -0.789 36.0-163.7 -84.5 134.4 2.8 42.2 0.4 75 77 A I E +BC 42 64A 17 -11,-3.5 -11,-2.1 -2,-0.4 2,-0.4 -0.979 21.5 177.6-132.2 131.9 3.9 43.2 -3.1 76 78 A L E +B 41 0A 0 -35,-2.4 -35,-2.0 -2,-0.4 -2,-0.0 -0.932 22.5 140.8-132.2 109.1 2.8 46.1 -5.3 77 79 A S + 0 0 49 -2,-0.4 -38,-0.3 -37,-0.2 2,-0.2 0.548 29.3 118.5-121.6 -17.1 4.6 46.5 -8.7 78 80 A E > - 0 0 119 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.396 62.1-139.5 -56.4 120.3 1.9 47.4 -11.2 79 81 A I H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.878 92.4 45.6 -53.2 -52.5 3.1 50.8 -12.3 80 82 A K H > S+ 0 0 183 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.950 117.4 43.6 -61.0 -50.9 -0.1 52.9 -12.4 81 83 A P H > S+ 0 0 32 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.883 113.1 54.5 -62.1 -36.2 -1.4 51.6 -9.1 82 84 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.922 107.9 48.1 -63.3 -45.2 2.0 52.1 -7.6 83 85 A H H X S+ 0 0 52 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.954 112.8 48.3 -61.3 -48.8 2.2 55.7 -8.7 84 86 A N H X S+ 0 0 55 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.913 116.1 44.4 -57.2 -45.1 -1.3 56.5 -7.3 85 87 A F H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.4 0.949 113.8 45.9 -67.1 -52.5 -0.4 54.8 -4.0 86 88 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.832 106.1 62.1 -63.7 -29.2 3.0 56.3 -3.4 87 89 A T H < S+ 0 0 61 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.914 111.5 38.5 -61.6 -40.5 1.8 59.7 -4.3 88 90 A Q H < S+ 0 0 38 -4,-1.2 4,-0.2 -3,-0.4 -2,-0.2 0.805 119.4 46.1 -81.6 -28.3 -0.6 59.5 -1.3 89 91 A L H >X S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.6 0.871 94.1 76.0 -80.7 -38.8 1.7 57.8 1.1 90 92 A Q G >< S+ 0 0 43 -4,-2.7 3,-0.9 1,-0.3 -1,-0.2 0.772 83.3 63.7 -49.4 -35.0 4.9 59.9 0.5 91 93 A P G 34 S+ 0 0 64 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.827 108.2 44.4 -61.8 -24.8 3.7 62.9 2.5 92 94 A F G <4 S+ 0 0 44 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.2 0.547 88.2 103.7 -96.9 -7.1 3.7 60.8 5.7 93 95 A L << + 0 0 4 -3,-0.9 -80,-0.1 -4,-0.6 -81,-0.1 -0.499 37.6 175.7 -76.5 145.7 7.0 58.9 5.3 94 96 A K S S+ 0 0 77 -82,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.628 80.1 29.0-119.1 -30.3 9.9 60.0 7.4 95 97 A L S S+ 0 0 27 2,-0.1 4,-0.2 1,-0.1 3,-0.1 0.719 131.8 30.8-102.4 -29.5 12.6 57.5 6.7 96 98 A K S > S+ 0 0 29 -84,-0.1 4,-2.0 1,-0.1 5,-0.1 0.167 81.0 109.5-119.5 20.7 11.7 56.5 3.1 97 99 A Q H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 80.1 52.2 -63.1 -40.7 10.2 59.6 1.7 98 100 A K H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 108.4 50.9 -62.9 -42.3 13.1 60.3 -0.6 99 101 A Q H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.6 51.0 -62.5 -40.7 13.0 56.8 -2.0 100 102 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.909 110.2 48.8 -62.4 -43.8 9.2 57.2 -2.7 101 103 A N H X S+ 0 0 66 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.861 110.7 50.3 -65.5 -36.8 9.8 60.5 -4.5 102 104 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.893 109.9 50.9 -69.3 -37.3 12.5 59.1 -6.7 103 105 A V H X S+ 0 0 3 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.929 110.3 49.6 -64.9 -42.1 10.3 56.1 -7.6 104 106 A L H X S+ 0 0 15 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 110.7 50.1 -61.1 -42.1 7.5 58.6 -8.6 105 107 A K H X S+ 0 0 83 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.886 110.5 50.2 -63.7 -40.0 10.0 60.5 -10.7 106 108 A I H >X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 3,-1.1 0.958 109.2 50.9 -63.5 -50.4 11.2 57.3 -12.4 107 109 A I H >< S+ 0 0 14 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.920 107.4 53.0 -53.1 -48.1 7.6 56.3 -13.2 108 110 A E H 3< S+ 0 0 117 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.738 113.1 45.3 -61.7 -22.1 6.8 59.6 -14.7 109 111 A Q H 4 S+ 0 0 91 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.942 118.1 42.7 -53.7 -47.6 7.6 56.4 -21.4 112 114 A S H >> S+ 0 0 33 -4,-0.3 3,-1.0 1,-0.2 4,-0.9 0.843 109.4 58.1 -66.5 -35.2 10.3 58.9 -22.3 113 115 A A H 3< S+ 0 0 2 -4,-3.0 7,-0.3 1,-0.3 -1,-0.2 0.721 89.1 74.3 -69.1 -21.2 13.1 56.7 -21.0 114 116 A K T << S+ 0 0 143 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.1 0.245 101.0 44.5 -77.5 16.6 12.1 53.9 -23.4 115 117 A E T <4 S+ 0 0 134 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.712 100.7 53.9-122.8 -58.5 13.6 56.0 -26.2 116 118 A S X - 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