==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 01-DEC-11 4AAB . COMPND 2 MOLECULE: DNA ENDONUCLEASE I-CREI; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDOMONAS REINHARDTII; . AUTHOR R.MOLINA,P.REDONDO,S.STELLA,M.MARENCHINO,M.D'ABRAMO,F.L.GERV . 304 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 73.4 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 . 44 14.5 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 . 1 0.3 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 0 1 0 0 0 4 0 0 2 0 0 4 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 2 0 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 0 163 0, 0.0 2,-0.1 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 129.0 4.9 7.5 1.5 2 3 A T - 0 0 86 59,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.331 360.0-129.4 -74.1 145.8 5.0 10.9 -0.1 3 4 A K - 0 0 196 -2,-0.1 2,-0.2 86,-0.0 -1,-0.1 -0.840 21.9-143.1 -96.0 122.0 7.8 11.9 -2.6 4 5 A Y - 0 0 22 -2,-0.6 2,-0.2 1,-0.1 57,-0.1 -0.544 21.4-105.9 -86.3 147.3 9.6 15.1 -1.9 5 6 A N > - 0 0 100 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.500 23.5-130.8 -70.3 139.6 10.7 17.5 -4.6 6 7 A K H > S+ 0 0 103 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.868 105.1 53.4 -62.2 -44.6 14.5 17.5 -5.3 7 8 A E H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.915 111.0 49.4 -56.2 -42.9 15.0 21.3 -5.1 8 9 A F H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.952 111.8 47.3 -60.3 -51.8 13.4 21.2 -1.7 9 10 A L H X S+ 0 0 8 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.890 110.6 53.2 -58.1 -42.0 15.6 18.3 -0.6 10 11 A L H X S+ 0 0 11 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.947 114.4 39.4 -60.5 -53.1 18.7 20.1 -1.8 11 12 A Y H X S+ 0 0 14 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.929 117.5 49.9 -60.9 -47.3 18.1 23.3 0.0 12 13 A L H X S+ 0 0 2 -4,-3.0 4,-2.8 -5,-0.2 5,-0.2 0.916 108.0 54.0 -60.1 -44.0 16.8 21.5 3.1 13 14 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 82,-0.2 0.942 109.6 47.5 -54.1 -50.3 19.9 19.3 3.1 14 15 A G H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.946 114.3 46.6 -55.8 -48.9 22.2 22.3 3.1 15 16 A F H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.834 111.6 51.1 -67.9 -32.3 20.2 23.9 5.9 16 17 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.912 105.7 54.6 -68.1 -44.1 20.1 20.7 7.9 17 18 A D H < S+ 0 0 0 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.854 118.3 38.8 -57.8 -33.2 23.9 20.3 7.6 18 19 A G H < S+ 0 0 10 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.973 138.4 2.9 -78.1 -64.0 24.1 23.8 9.0 19 20 A D H < S+ 0 0 47 -4,-2.9 26,-1.7 -5,-0.1 -3,-0.2 0.280 106.9 92.2-117.3 11.2 21.4 24.2 11.7 20 21 A G E < -A 44 0A 7 -4,-2.1 2,-0.4 -5,-0.3 24,-0.3 -0.423 55.2-144.8-100.5 175.4 19.8 20.8 12.0 21 22 A S E -A 43 0A 28 22,-3.0 22,-2.5 -2,-0.1 2,-0.6 -0.985 10.2-159.7-145.7 132.7 20.4 17.7 14.1 22 23 A I E -A 42 0A 2 -2,-0.4 2,-0.4 20,-0.2 20,-0.2 -0.957 33.1-174.0-109.0 110.3 20.1 14.0 13.6 23 24 A I E -A 41 0A 33 18,-2.9 18,-2.4 -2,-0.6 2,-0.4 -0.835 20.0-172.5-118.0 139.2 19.8 12.6 17.1 24 25 A A E -A 40 0A 9 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.997 14.1-173.0-130.2 136.7 19.7 9.1 18.6 25 26 A Q E -A 39 0A 80 14,-3.5 14,-3.2 -2,-0.4 2,-0.6 -0.970 28.7-156.0-138.1 146.5 19.0 8.3 22.2 26 27 A I E -A 38 0A 6 116,-0.4 12,-0.2 -2,-0.4 116,-0.1 -0.954 29.5-163.4-110.8 103.3 19.0 5.5 24.7 27 28 A K E -A 37 0A 80 10,-2.5 10,-2.0 -2,-0.6 -2,-0.0 -0.802 19.8-127.1-100.6 108.5 16.6 6.8 27.3 28 29 A P E +A 36 0A 83 0, 0.0 2,-0.3 0, 0.0 8,-0.3 -0.320 45.5 159.7 -49.0 118.8 16.6 5.0 30.7 29 30 A N > - 0 0 63 6,-2.2 3,-1.8 3,-0.1 6,-0.1 -0.865 38.3-149.5-153.4 116.7 13.0 4.1 31.2 30 31 A Q T 3 S+ 0 0 151 -2,-0.3 5,-0.2 1,-0.3 6,-0.1 0.622 91.1 67.8 -61.5 -17.2 11.7 1.4 33.6 31 32 A S T 3 S+ 0 0 100 4,-0.1 2,-0.3 3,-0.1 -1,-0.3 0.501 82.9 88.5 -87.2 -3.1 8.7 0.5 31.5 32 33 A Y S X S- 0 0 82 -3,-1.8 3,-2.1 1,-0.1 5,-0.1 -0.707 84.2-121.4 -95.9 150.2 10.7 -1.0 28.6 33 34 A K T 3 S+ 0 0 153 1,-0.3 -1,-0.1 -2,-0.3 82,-0.0 0.896 117.6 36.5 -53.5 -46.3 11.7 -4.7 28.5 34 35 A F T 3 S- 0 0 29 2,-0.3 -1,-0.3 -3,-0.0 116,-0.1 0.080 116.1-113.8 -98.7 22.3 15.4 -3.7 28.4 35 36 A K S < S+ 0 0 80 -3,-2.1 -6,-2.2 -5,-0.2 2,-0.3 0.591 89.3 81.3 63.1 13.2 14.9 -0.7 30.7 36 37 A H E -A 28 0A 9 -8,-0.3 2,-0.4 -6,-0.1 -2,-0.3 -0.996 68.2-137.3-147.7 144.7 15.7 1.8 27.9 37 38 A Q E -A 27 0A 62 -10,-2.0 -10,-2.5 -2,-0.3 2,-0.6 -0.835 17.3-134.2 -97.8 140.2 13.8 3.4 25.0 38 39 A L E -A 26 0A 26 -2,-0.4 2,-0.5 -12,-0.2 -12,-0.2 -0.871 31.2-172.3 -91.4 120.3 15.4 3.8 21.6 39 40 A S E -A 25 0A 11 -14,-3.2 -14,-3.5 -2,-0.6 2,-0.4 -0.965 12.8-173.3-125.7 124.2 14.7 7.3 20.5 40 41 A L E -A 24 0A 8 -2,-0.5 2,-0.4 38,-0.3 -16,-0.2 -0.915 8.4-178.4-112.4 139.7 15.3 8.9 17.1 41 42 A T E -A 23 0A 16 -18,-2.4 -18,-2.9 -2,-0.4 2,-0.5 -0.973 20.0-162.5-142.8 128.1 14.8 12.6 16.4 42 43 A F E +AB 22 77A 1 35,-2.6 35,-2.2 -2,-0.4 2,-0.3 -0.947 29.9 175.3 -99.0 125.6 15.2 14.8 13.3 43 44 A Q E -AB 21 76A 40 -22,-2.5 -22,-3.0 -2,-0.5 2,-0.4 -0.969 26.5-167.0-136.3 141.4 15.3 18.4 14.4 44 45 A V E -AB 20 75A 0 31,-1.6 31,-2.8 -2,-0.3 2,-0.3 -0.985 20.2-155.1-127.2 122.7 15.8 21.9 12.9 45 46 A T E + B 0 74A 36 -26,-1.7 2,-0.3 -2,-0.4 29,-0.2 -0.727 19.8 160.6-103.2 142.7 16.5 24.7 15.3 46 47 A Q E - B 0 73A 11 27,-2.3 27,-2.8 -2,-0.3 5,-0.1 -0.974 47.3 -88.5-159.0 145.1 15.9 28.4 14.7 47 48 A K E > - B 0 72A 83 -2,-0.3 3,-2.4 25,-0.2 25,-0.3 -0.231 45.1-118.6 -48.6 135.9 15.4 31.6 16.7 48 49 A T G > S+ 0 0 29 23,-2.6 3,-2.4 1,-0.3 4,-0.2 0.822 110.1 68.3 -56.4 -31.6 11.7 31.9 17.6 49 50 A Q G 3 S+ 0 0 131 22,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.759 106.2 42.9 -60.8 -20.4 11.4 35.2 15.7 50 51 A R G X> S+ 0 0 42 -3,-2.4 3,-2.0 1,-0.1 4,-0.7 0.055 74.4 120.9-107.7 21.9 11.9 33.1 12.5 51 52 A R H <> + 0 0 84 -3,-2.4 4,-2.7 1,-0.3 5,-0.2 0.732 60.2 76.7 -62.3 -18.4 9.6 30.2 13.5 52 53 A W H 3> S+ 0 0 119 -3,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.853 90.9 56.7 -55.5 -33.1 7.5 30.9 10.4 53 54 A F H <> S+ 0 0 9 -3,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.935 108.6 44.2 -63.8 -46.9 10.4 29.2 8.6 54 55 A L H X S+ 0 0 0 -4,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.859 108.0 58.8 -65.9 -36.8 10.0 26.1 10.7 55 56 A D H X S+ 0 0 56 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.880 103.5 53.0 -60.5 -37.5 6.2 26.3 10.3 56 57 A K H X S+ 0 0 71 -4,-1.9 4,-3.3 1,-0.2 5,-0.3 0.930 100.5 61.3 -61.1 -44.5 6.7 26.1 6.5 57 58 A L H X S+ 0 0 6 -4,-1.5 4,-3.3 1,-0.2 5,-0.4 0.866 102.5 52.1 -47.8 -42.0 8.8 22.9 7.1 58 59 A V H X S+ 0 0 35 -4,-1.3 4,-3.1 2,-0.2 5,-0.4 0.946 111.6 45.2 -62.5 -49.1 5.7 21.3 8.6 59 60 A D H < S+ 0 0 127 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.957 118.4 43.2 -56.2 -50.8 3.6 22.2 5.6 60 61 A E H < S+ 0 0 78 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 121.3 38.3 -69.6 -41.2 6.3 21.1 3.1 61 62 A I H < S- 0 0 5 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.846 96.2-146.4 -75.2 -32.7 7.2 17.9 5.0 62 63 A G S < S+ 0 0 62 -4,-3.1 2,-0.3 -5,-0.4 -3,-0.2 0.592 71.4 59.2 79.3 11.4 3.5 17.3 5.8 63 64 A V S S+ 0 0 29 -5,-0.4 -1,-0.2 -6,-0.3 -2,-0.2 -0.959 74.1 53.5-162.4 165.0 4.4 15.8 9.1 64 65 A G - 0 0 18 -2,-0.3 2,-0.3 -3,-0.1 13,-0.2 -0.441 65.2-119.0 92.6-175.2 6.2 16.7 12.3 65 66 A Y E -C 76 0A 97 11,-1.8 11,-2.3 -2,-0.1 2,-0.5 -0.981 9.9-114.8-159.4 164.5 5.6 19.8 14.5 66 67 A V E -C 75 0A 23 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.908 24.0-167.5-107.4 131.2 7.2 23.0 15.8 67 68 A R E -C 74 0A 141 7,-2.7 7,-2.8 -2,-0.5 2,-0.6 -0.976 11.1-148.0-121.1 132.6 7.8 23.6 19.5 68 69 A D E +C 73 0A 77 -2,-0.4 5,-0.2 5,-0.2 3,-0.1 -0.853 15.8 177.9 -97.7 119.5 8.8 26.9 21.0 69 70 A R - 0 0 173 3,-2.5 2,-0.4 -2,-0.6 4,-0.2 0.328 60.9 -82.3-103.7 4.7 11.1 26.6 24.0 70 71 A G S S+ 0 0 47 2,-0.5 3,-0.0 1,-0.1 -22,-0.0 -0.853 111.1 11.6 138.1-102.0 11.5 30.4 24.5 71 72 A S S S+ 0 0 102 -2,-0.4 -23,-2.6 -23,-0.1 -22,-0.4 0.645 131.4 45.7 -84.1 -16.6 14.0 32.3 22.5 72 73 A V E -B 47 0A 24 -25,-0.3 -3,-2.5 -24,-0.1 -2,-0.5 -0.912 67.8-161.4-129.4 154.4 14.5 29.3 20.2 73 74 A S E -BC 46 68A 0 -27,-2.8 -27,-2.3 -2,-0.3 2,-0.4 -0.889 7.7-144.9-131.4 161.1 12.1 26.9 18.5 74 75 A N E -BC 45 67A 10 -7,-2.8 -7,-2.7 -2,-0.3 2,-0.4 -0.990 12.0-143.4-133.8 133.3 12.5 23.5 16.9 75 76 A Y E -BC 44 66A 0 -31,-2.8 -31,-1.6 -2,-0.4 2,-0.4 -0.780 35.7-165.3 -78.6 141.3 11.0 21.6 14.0 76 77 A I E +BC 43 65A 15 -11,-2.3 -11,-1.8 -2,-0.4 2,-0.4 -0.995 23.7 177.9-137.7 131.9 10.7 18.0 15.3 77 78 A L E +B 42 0A 0 -35,-2.2 -35,-2.6 -2,-0.4 -2,-0.0 -0.944 20.8 145.0-135.4 117.9 10.1 14.7 13.6 78 79 A S + 0 0 50 -2,-0.4 2,-0.3 -37,-0.2 -38,-0.3 0.525 31.6 115.7-125.9 -18.6 10.1 11.6 15.8 79 80 A E > - 0 0 109 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.445 61.7-140.6 -61.2 119.3 7.5 9.3 14.1 80 81 A I H > S+ 0 0 68 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.870 92.4 43.0 -53.9 -51.5 9.4 6.3 13.0 81 82 A K H > S+ 0 0 171 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.971 116.7 44.8 -65.0 -54.2 7.8 5.6 9.6 82 83 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.893 113.3 54.6 -55.7 -35.4 7.5 9.2 8.4 83 84 A L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.928 107.3 48.1 -64.1 -44.2 11.1 9.6 9.6 84 85 A H H X S+ 0 0 54 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.971 112.8 48.6 -59.9 -53.8 12.4 6.7 7.6 85 86 A N H X S+ 0 0 24 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.897 115.5 44.4 -50.3 -47.5 10.6 7.9 4.4 86 87 A F H >X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 3,-0.6 0.956 114.5 45.6 -68.4 -54.8 11.9 11.4 4.8 87 88 A L H 3X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.794 105.3 62.5 -56.7 -32.5 15.6 10.6 5.7 88 89 A T H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.903 112.6 37.3 -62.4 -36.7 15.7 8.0 2.8 89 90 A Q H << S+ 0 0 39 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.780 121.0 43.8 -84.9 -30.3 15.1 10.9 0.4 90 91 A L H >X S+ 0 0 0 -4,-2.0 3,-2.8 1,-0.2 4,-0.5 0.883 95.4 79.0 -81.3 -40.9 17.2 13.6 2.2 91 92 A Q G >< S+ 0 0 38 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.752 84.4 59.7 -34.9 -51.3 20.2 11.3 2.9 92 93 A P G 34 S+ 0 0 68 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.718 108.3 46.3 -56.6 -22.4 21.7 11.5 -0.6 93 94 A F G <4 S+ 0 0 41 -3,-2.8 -2,-0.2 -4,-0.1 2,-0.2 0.461 87.7 102.5-105.2 -3.8 22.0 15.3 -0.4 94 95 A L << + 0 0 5 -3,-1.3 -80,-0.1 -4,-0.5 -81,-0.1 -0.506 37.7 172.9 -76.5 150.1 23.5 15.5 3.1 95 96 A K S S+ 0 0 98 -82,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.568 80.9 29.3-126.7 -35.2 27.3 16.2 3.3 96 97 A L S S+ 0 0 24 1,-0.1 4,-0.2 2,-0.1 3,-0.1 0.747 131.7 32.6 -95.7 -28.7 27.9 16.7 7.0 97 98 A K S > S+ 0 0 33 1,-0.1 4,-2.4 -84,-0.1 5,-0.2 0.197 82.3 107.8-118.7 16.8 25.1 14.6 8.4 98 99 A Q H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.923 79.5 50.2 -64.0 -46.0 24.8 11.7 5.9 99 100 A K H > S+ 0 0 145 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 111.9 48.9 -61.0 -41.5 26.4 9.0 8.0 100 101 A Q H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 110.7 50.6 -61.3 -50.0 24.1 9.9 11.0 101 102 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.956 113.3 45.4 -50.5 -55.5 21.0 9.8 8.7 102 103 A N H X S+ 0 0 63 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.853 109.2 54.7 -59.9 -37.5 22.0 6.4 7.3 103 104 A L H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.872 108.2 51.0 -64.7 -35.1 22.8 5.1 10.8 104 105 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 -3,-0.3 -2,-0.2 0.953 109.3 49.6 -63.8 -51.0 19.3 6.1 11.8 105 106 A L H X S+ 0 0 13 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.907 111.2 50.0 -49.3 -48.2 17.8 4.3 8.7 106 107 A K H X S+ 0 0 100 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.899 111.1 49.7 -61.8 -42.2 19.8 1.2 9.7 107 108 A I H >X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 3,-0.7 0.934 109.0 50.2 -62.5 -49.6 18.5 1.4 13.2 108 109 A I H >< S+ 0 0 17 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.902 108.7 52.2 -56.9 -45.5 14.8 1.8 12.3 109 110 A E H 3< S+ 0 0 119 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.733 113.4 45.1 -65.3 -23.4 14.9 -1.2 10.0 110 111 A Q H XX S+ 0 0 58 -4,-0.9 4,-1.9 -3,-0.7 3,-0.7 0.504 82.4 98.6 -99.9 -8.3 16.5 -3.4 12.7 111 112 A L H S+ 0 0 35 -3,-0.7 4,-1.2 1,-0.2 3,-0.7 0.786 106.4 60.8 -72.4 -30.0 15.0 -7.6 15.7 114 115 A A H 3< S+ 0 0 1 -4,-1.9 7,-0.3 -3,-0.4 -1,-0.2 0.763 96.6 61.5 -70.5 -25.1 16.4 -5.5 18.6 115 116 A K T 3< S+ 0 0 123 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.780 102.5 53.8 -67.2 -29.4 13.2 -6.3 20.5 116 117 A E T <4 S+ 0 0 151 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.1 0.984 109.3 30.4 -75.6 -63.0 14.0 -10.0 20.5 117 118 A S X - 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