==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 07-MAY-10 3MXA . COMPND 2 MOLECULE: SCV3V2(G19S); . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR I.G.MUNOZ,J.PRIETO,S.SUBRAMANIAN,J.COLOMA,G.MONTOYA . 301 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 71.4 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 . 46 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 . 2 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 . 15 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 40.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 3 0 0 0 0 0 0 4 1 0 1 1 0 3 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 0 2 2 0 0 2 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 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 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 0 142 0, 0.0 2,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 88.5 -0.7 32.4 14.0 2 3 A T - 0 0 76 59,-0.1 2,-0.5 1,-0.1 0, 0.0 -0.350 360.0-141.4 -66.4 134.2 -4.3 31.9 13.0 3 4 A K - 0 0 172 -2,-0.1 2,-0.3 86,-0.0 -1,-0.1 -0.876 19.1-143.6 -97.7 122.9 -5.7 28.4 13.3 4 5 A Y - 0 0 15 -2,-0.5 2,-0.1 1,-0.1 57,-0.1 -0.632 17.9-106.3 -94.3 143.3 -8.1 27.5 10.4 5 6 A N > - 0 0 129 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.362 24.9-129.7 -63.4 144.2 -11.2 25.4 10.6 6 7 A K H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 105.8 53.3 -68.2 -35.6 -10.9 21.9 9.2 7 8 A E H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 109.7 49.3 -69.1 -36.6 -14.0 22.0 7.0 8 9 A F H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.953 114.0 46.3 -62.3 -48.7 -12.7 25.3 5.4 9 10 A L H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.841 109.9 53.9 -62.9 -38.1 -9.3 23.6 4.9 10 11 A L H X S+ 0 0 10 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.936 113.3 41.1 -62.7 -49.4 -10.8 20.4 3.4 11 12 A Y H X S+ 0 0 9 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.904 116.1 50.9 -65.3 -41.6 -12.9 22.3 0.8 12 13 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.854 104.4 56.3 -67.3 -38.7 -9.9 24.6 0.0 13 14 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 82,-0.3 0.907 109.3 48.3 -57.0 -42.4 -7.5 21.7 -0.5 14 15 A G H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.947 113.3 45.8 -62.6 -46.7 -9.8 20.4 -3.1 15 16 A F H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.4 0.874 113.6 49.8 -66.7 -38.3 -10.1 23.8 -4.8 16 17 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.936 105.8 55.4 -64.2 -49.4 -6.3 24.4 -4.7 17 18 A D H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.848 118.7 37.5 -51.7 -35.8 -5.6 20.9 -6.2 18 19 A G H < S+ 0 0 13 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.974 139.9 0.9 -78.6 -65.1 -7.9 22.1 -9.0 19 20 A D H < S+ 0 0 42 -4,-3.1 26,-1.8 -5,-0.1 -3,-0.2 0.268 106.9 92.8-116.5 6.7 -7.2 25.8 -9.7 20 21 A G E < -A 44 0A 2 -4,-2.3 2,-0.3 -5,-0.4 24,-0.2 -0.422 55.2-146.5 -98.3 176.5 -4.5 26.8 -7.2 21 22 A S E -A 43 0A 36 22,-2.4 22,-2.3 -2,-0.1 2,-0.5 -0.994 12.8-162.4-146.5 137.5 -0.7 27.0 -7.4 22 23 A I E -A 42 0A 2 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.973 32.5-178.6-117.7 112.0 2.2 26.4 -5.1 23 24 A I E -A 41 0A 38 18,-2.5 18,-2.2 -2,-0.5 2,-0.4 -0.873 23.6-170.5-124.7 140.4 5.1 28.1 -6.8 24 25 A A E +A 40 0A 8 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.998 17.8 180.0-130.3 126.5 8.8 28.5 -6.0 25 26 A Q E -A 39 0A 77 14,-2.8 14,-2.6 -2,-0.4 2,-0.6 -0.904 27.0-143.9-128.4 153.8 10.9 30.9 -8.2 26 27 A I E -A 38 0A 7 116,-0.4 12,-0.2 -2,-0.3 116,-0.1 -0.923 24.2-159.0-116.7 102.2 14.5 32.1 -8.4 27 28 A N E -A 37 0A 46 10,-3.3 10,-2.5 -2,-0.6 2,-0.1 -0.694 19.4-124.3 -83.7 121.0 14.5 35.7 -9.4 28 29 A P E +A 36 0A 89 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.471 42.7 169.8 -58.2 134.0 17.7 37.1 -10.9 29 30 A N > - 0 0 51 6,-2.2 3,-1.2 -2,-0.1 6,-0.1 -0.818 31.0-161.7-157.2 109.5 18.6 40.1 -8.8 30 31 A Q T 3 S+ 0 0 142 -2,-0.3 5,-0.2 1,-0.3 -1,-0.1 0.877 92.8 55.4 -60.5 -41.9 21.8 42.0 -8.8 31 32 A S T 3 S+ 0 0 117 4,-0.1 -1,-0.3 3,-0.1 2,-0.1 0.567 90.8 98.1 -71.9 -8.5 21.4 43.7 -5.3 32 33 A S S X S- 0 0 28 -3,-1.2 3,-1.0 1,-0.1 5,-0.1 -0.402 86.1-113.5 -77.9 159.1 20.9 40.2 -3.7 33 34 A K T 3 S+ 0 0 137 1,-0.3 -1,-0.1 3,-0.1 4,-0.1 0.928 116.2 25.3 -59.3 -51.3 23.8 38.4 -1.9 34 35 A F T 3 S- 0 0 30 2,-0.5 -1,-0.3 116,-0.0 3,-0.1 0.014 117.2-103.4-106.2 27.3 24.1 35.6 -4.4 35 36 A K S < S+ 0 0 100 -3,-1.0 -6,-2.2 -5,-0.2 2,-0.3 0.614 97.4 81.9 66.0 14.1 22.7 37.5 -7.3 36 37 A H E -A 28 0A 24 -8,-0.3 -2,-0.5 -6,-0.1 2,-0.4 -0.992 61.6-152.4-145.5 149.5 19.3 35.7 -7.0 37 38 A R E -A 27 0A 106 -10,-2.5 -10,-3.3 -2,-0.3 2,-0.4 -0.987 16.8-132.8-124.2 133.4 16.3 36.0 -4.8 38 39 A L E -A 26 0A 29 -2,-0.4 2,-0.5 -12,-0.2 -12,-0.2 -0.687 20.4-167.3 -83.3 132.3 13.9 33.2 -3.8 39 40 A R E -A 25 0A 85 -14,-2.6 -14,-2.8 -2,-0.4 2,-0.5 -0.983 5.8-170.2-123.0 124.8 10.2 33.8 -4.1 40 41 A L E +A 24 0A 6 -2,-0.5 2,-0.4 38,-0.3 -16,-0.2 -0.970 15.9 174.5-113.6 122.5 7.5 31.5 -2.6 41 42 A T E -A 23 0A 6 -18,-2.2 -18,-2.5 -2,-0.5 2,-0.5 -0.988 24.3-157.8-135.9 133.8 3.9 32.2 -3.7 42 43 A F E -AB 22 77A 0 35,-2.4 35,-2.4 -2,-0.4 2,-0.4 -0.929 24.9-178.1-104.5 131.4 0.5 30.6 -3.2 43 44 A Y E -AB 21 76A 41 -22,-2.3 -22,-2.4 -2,-0.5 2,-0.4 -0.957 23.6-167.1-127.9 147.1 -2.1 31.5 -5.8 44 45 A V E -AB 20 75A 0 31,-2.1 31,-2.9 -2,-0.4 2,-0.4 -0.975 20.9-158.0-128.0 122.5 -5.8 30.7 -6.5 45 46 A T E + B 0 74A 41 -26,-1.8 2,-0.3 -2,-0.4 29,-0.2 -0.784 20.4 157.1-100.7 140.5 -6.8 31.7 -10.0 46 47 A Q E - B 0 73A 10 27,-2.6 27,-2.8 -2,-0.4 -2,-0.1 -0.954 46.9 -87.9-162.1 143.7 -10.4 32.4 -11.0 47 48 A K E > - B 0 72A 67 -2,-0.3 3,-1.9 25,-0.2 25,-0.3 -0.132 42.2-119.2 -44.7 141.0 -12.4 34.3 -13.6 48 49 A T G > S+ 0 0 34 23,-2.4 3,-1.8 1,-0.3 4,-0.2 0.771 111.1 67.1 -64.9 -27.0 -13.1 37.9 -12.6 49 50 A Q G 3 S+ 0 0 127 22,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.724 107.7 43.9 -66.4 -14.8 -16.9 37.5 -12.6 50 51 A R G X> S+ 0 0 42 -3,-1.9 3,-1.5 1,-0.1 4,-0.6 0.098 74.7 117.6-112.9 22.7 -16.2 35.2 -9.7 51 52 A R H <> + 0 0 75 -3,-1.8 4,-2.8 1,-0.3 5,-0.2 0.687 60.7 76.8 -66.7 -15.7 -13.7 37.3 -7.8 52 53 A W H 3> S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.907 92.3 56.4 -55.5 -36.1 -16.1 37.5 -4.8 53 54 A F H <> S+ 0 0 8 -3,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.884 109.5 43.1 -61.9 -40.3 -14.8 34.0 -4.2 54 55 A L H X S+ 0 0 0 -4,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.836 110.5 55.5 -76.2 -33.6 -11.2 35.2 -4.0 55 56 A D H X S+ 0 0 62 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.868 106.0 52.6 -64.8 -36.3 -12.2 38.2 -1.9 56 57 A K H X S+ 0 0 76 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.880 104.0 58.3 -63.4 -35.8 -13.8 35.8 0.5 57 58 A L H X S+ 0 0 4 -4,-1.2 4,-3.1 1,-0.2 5,-0.4 0.899 102.7 51.3 -61.9 -44.1 -10.4 34.0 0.5 58 59 A V H X S+ 0 0 40 -4,-1.7 4,-2.3 1,-0.2 5,-0.4 0.908 113.5 45.7 -58.2 -43.5 -8.5 37.1 1.7 59 60 A D H < S+ 0 0 132 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.895 116.4 44.8 -67.6 -40.1 -11.0 37.4 4.6 60 61 A E H < S+ 0 0 59 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 120.6 37.9 -74.8 -41.2 -10.9 33.7 5.5 61 62 A I H < S- 0 0 2 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.852 100.5-140.8 -78.7 -35.2 -7.2 33.4 5.4 62 63 A G S < S+ 0 0 58 -4,-2.3 2,-0.3 -5,-0.4 -3,-0.2 0.573 71.1 53.0 90.9 11.6 -6.8 36.8 6.8 63 64 A V S S+ 0 0 29 -5,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.959 73.3 58.5-167.5 164.1 -3.8 37.9 4.7 64 65 A G - 0 0 25 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.469 64.8-117.1 94.7-173.0 -2.8 38.1 1.0 65 66 A Y E -C 76 0A 125 11,-2.1 11,-2.9 -2,-0.2 2,-0.5 -0.972 8.6-112.7-159.3 167.6 -4.6 40.0 -1.7 66 67 A V E -C 75 0A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.933 26.9-170.2-111.2 133.2 -6.6 39.8 -4.9 67 68 A R E -C 74 0A 110 7,-2.3 7,-2.0 -2,-0.5 2,-0.5 -0.856 14.8-137.4-115.8 161.1 -5.3 41.2 -8.2 68 69 A D E -C 73 0A 80 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.961 16.6-179.4-122.0 116.8 -7.1 41.6 -11.5 69 70 A S E > -C 72 0A 68 3,-2.8 3,-1.0 -2,-0.5 2,-0.7 -0.529 60.4 -85.8-110.6 64.4 -5.4 40.7 -14.8 70 71 A G T 3 S+ 0 0 63 -2,-0.4 -1,-0.1 1,-0.2 -22,-0.0 -0.637 113.1 7.2 77.8-113.7 -8.2 41.6 -17.2 71 72 A S T 3 S+ 0 0 97 -2,-0.7 -23,-2.4 -3,-0.1 -22,-0.4 0.667 129.9 54.9 -77.8 -17.5 -10.7 38.8 -17.6 72 73 A V E < -BC 47 69A 55 -3,-1.0 -3,-2.8 -25,-0.3 2,-0.3 -0.880 64.8-161.9-121.4 147.7 -9.1 36.7 -14.8 73 74 A S E -BC 46 68A 0 -27,-2.8 -27,-2.6 -2,-0.3 2,-0.3 -0.807 3.8-154.0-123.1 167.5 -8.2 37.4 -11.2 74 75 A Q E -BC 45 67A 33 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.5 -0.988 15.7-141.5-144.7 131.9 -5.9 35.8 -8.5 75 76 A Y E -BC 44 66A 0 -31,-2.9 -31,-2.1 -2,-0.3 2,-0.4 -0.809 33.5-166.3 -80.6 135.0 -5.7 35.5 -4.8 76 77 A V E -BC 43 65A 4 -11,-2.9 -11,-2.1 -2,-0.5 2,-0.4 -0.987 18.8-177.9-130.5 133.4 -2.0 35.8 -3.9 77 78 A L E +B 42 0A 0 -35,-2.4 -35,-2.4 -2,-0.4 -2,-0.0 -0.951 21.1 146.1-134.1 114.1 -0.2 35.1 -0.7 78 79 A S + 0 0 22 -2,-0.4 -38,-0.3 -37,-0.2 2,-0.2 0.586 30.9 115.7-119.3 -25.6 3.6 35.8 -0.6 79 80 A E > - 0 0 125 1,-0.1 4,-2.4 4,-0.1 5,-0.2 -0.369 62.0-139.5 -59.8 123.0 4.3 36.9 3.0 80 81 A I H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.849 91.6 45.5 -59.6 -45.4 6.6 34.2 4.4 81 82 A K H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.957 117.4 41.0 -68.6 -52.7 5.3 33.7 7.9 82 83 A P H > S+ 0 0 26 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.898 113.6 57.2 -61.2 -34.8 1.6 33.6 7.1 83 84 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.893 108.2 45.9 -60.8 -41.7 2.4 31.4 4.1 84 85 A H H X S+ 0 0 36 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.917 113.5 48.5 -67.8 -44.5 4.1 28.9 6.3 85 86 A N H X S+ 0 0 20 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.942 115.1 45.8 -60.4 -46.3 1.3 28.9 8.9 86 87 A F H >X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 3,-0.5 0.958 114.6 44.1 -63.2 -54.2 -1.3 28.5 6.1 87 88 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.832 106.5 61.4 -65.2 -35.5 0.4 25.7 4.1 88 89 A T H 3< S+ 0 0 60 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.909 112.7 38.7 -53.2 -39.7 1.3 23.8 7.2 89 90 A Q H << S+ 0 0 31 -4,-1.2 -2,-0.2 -3,-0.5 4,-0.2 0.865 118.0 47.5 -83.5 -33.2 -2.4 23.5 7.9 90 91 A L H >X S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 4,-0.6 0.869 95.4 74.9 -71.5 -37.4 -3.5 22.9 4.3 91 92 A Q G >< S+ 0 0 43 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.697 81.5 63.1 -62.5 -28.1 -1.0 20.3 3.3 92 93 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.781 110.2 44.3 -65.7 -17.3 -2.4 17.2 5.1 93 94 A F G <4 S+ 0 0 42 -3,-2.1 -2,-0.2 -4,-0.2 2,-0.1 0.547 89.0 103.7-103.3 -11.2 -5.5 17.5 2.9 94 95 A L << + 0 0 4 -4,-0.6 -80,-0.1 -3,-0.5 -81,-0.1 -0.458 38.8 176.2 -71.4 144.9 -3.8 18.2 -0.5 95 96 A K S S+ 0 0 99 -82,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.636 78.7 26.2-117.1 -35.5 -3.7 15.3 -2.9 96 97 A L S S+ 0 0 27 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.723 131.1 33.5-103.2 -28.3 -2.1 16.7 -6.1 97 98 A K S > S+ 0 0 36 -84,-0.1 4,-1.9 1,-0.1 5,-0.1 0.103 82.9 109.5-117.9 21.2 -0.0 19.5 -4.7 98 99 A Q H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.886 78.4 49.6 -67.2 -42.5 1.0 18.1 -1.4 99 100 A K H > S+ 0 0 136 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.913 109.3 52.8 -63.7 -44.2 4.7 17.5 -2.2 100 101 A Q H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 110.2 48.4 -54.7 -46.1 5.0 21.1 -3.5 101 102 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.922 111.7 49.2 -61.9 -45.9 3.5 22.4 -0.3 102 103 A N H X S+ 0 0 68 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.892 111.8 48.5 -59.9 -42.7 6.0 20.2 1.7 103 104 A L H X S+ 0 0 18 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.888 109.2 52.6 -66.5 -40.0 8.9 21.4 -0.3 104 105 A V H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.870 110.9 48.1 -63.8 -35.6 7.9 25.1 0.1 105 106 A L H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 110.3 51.0 -66.6 -48.1 7.8 24.5 3.8 106 107 A K H X S+ 0 0 95 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.932 112.3 48.2 -52.6 -48.1 11.2 22.9 3.8 107 108 A I H >X S+ 0 0 0 -4,-2.8 3,-0.8 1,-0.2 4,-0.5 0.951 109.2 51.1 -60.3 -51.9 12.5 25.9 1.8 108 109 A I H >< S+ 0 0 17 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.856 109.0 52.7 -54.8 -37.3 11.0 28.4 4.2 109 110 A E H 3< S+ 0 0 109 -4,-2.2 -1,-0.2 1,-0.2 4,-0.2 0.777 112.2 44.1 -71.9 -27.2 12.5 26.7 7.2 110 111 A Q H 4 S+ 0 0 104 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.924 117.4 40.1 -52.8 -47.1 17.9 31.8 7.3 113 114 A S H >> S+ 0 0 47 -4,-0.2 3,-1.2 1,-0.2 4,-0.7 0.820 109.5 59.8 -73.9 -29.8 20.7 29.3 6.8 114 115 A A H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 7,-0.2 0.581 101.1 57.0 -73.6 -9.3 20.4 29.4 3.0 115 116 A K T << S+ 0 0 59 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.465 105.0 50.7 -99.0 -3.5 21.2 33.2 3.1 116 117 A E T <4 S+ 0 0 77 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.571 110.2 45.4-108.2 -14.9 24.5 32.7 4.9 117 118 A S X - 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