==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-AUG-08 3E5S . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 258 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 23.6 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 4 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 7 A L 0 0 85 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 175.4 19.6 -5.4 8.0 2 8 A H - 0 0 108 62,-0.4 62,-0.5 63,-0.0 2,-0.3 -0.999 360.0-125.8-144.5 144.9 18.8 -4.0 4.6 3 9 A K E -A 63 0A 88 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.612 22.7-167.7 -88.7 144.5 17.6 -0.7 3.1 4 10 A E E -A 62 0A 25 58,-2.5 58,-3.0 -2,-0.3 -2,-0.0 -0.944 25.5-102.9-128.3 150.0 14.6 -0.5 0.7 5 11 A P E +A 61 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.236 45.3 152.4 -70.1 162.1 13.3 2.4 -1.4 6 12 A A E -A 60 0A 13 54,-0.9 54,-0.7 15,-0.1 2,-0.4 -0.931 30.7-132.2-173.9 162.7 10.4 4.6 -0.6 7 13 A T E -D 20 0B 83 13,-1.7 13,-3.6 -2,-0.3 2,-0.1 -0.981 28.3-105.3-130.5 147.6 9.2 8.1 -1.3 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.372 34.6 168.4 -67.7 137.5 7.9 10.7 1.1 9 15 A I E S- 0 0 75 9,-3.0 2,-0.3 1,-0.2 10,-0.2 0.640 73.6 -11.4-108.7 -53.6 4.2 11.4 1.1 10 16 A K E -D 18 0B 104 8,-1.8 8,-3.6 0, 0.0 2,-1.0 -0.958 50.3-139.1-154.4 130.5 4.1 13.5 4.2 11 17 A A E +D 17 0B 4 -2,-0.3 6,-0.2 6,-0.2 40,-0.1 -0.792 32.5 179.3 -84.0 103.5 6.4 14.4 7.1 12 18 A I - 0 0 48 -2,-1.0 2,-0.2 4,-0.5 -1,-0.2 0.992 45.7 -51.2 -75.4 -65.4 3.8 14.3 9.9 13 19 A D S S- 0 0 59 3,-1.6 3,-0.2 37,-0.0 -1,-0.2 -0.770 76.9 -48.7-157.2-164.8 5.6 15.0 13.1 14 20 A G S S+ 0 0 8 -2,-0.2 77,-0.1 1,-0.2 23,-0.1 0.892 130.1 20.5 -48.7 -51.2 8.7 14.1 15.3 15 21 A D S S+ 0 0 12 20,-0.1 15,-2.8 14,-0.1 2,-0.3 0.472 115.2 65.2-106.2 -5.9 8.3 10.4 15.3 16 22 A T E + E 0 29B 10 -3,-0.2 -3,-1.6 13,-0.2 -4,-0.5 -0.946 46.9 177.3-126.4 147.4 6.1 9.6 12.2 17 23 A V E -DE 11 28B 2 11,-1.8 11,-3.0 -2,-0.3 2,-0.6 -0.993 23.8-136.5-140.9 140.6 6.4 9.9 8.5 18 24 A K E +DE 10 27B 73 -8,-3.6 -9,-3.0 -2,-0.3 -8,-1.8 -0.880 35.7 170.2-102.2 125.1 4.0 8.9 5.7 19 25 A L E -DE 8 26B 0 7,-3.0 7,-2.7 -2,-0.6 2,-0.7 -0.922 40.9-117.5-131.4 159.4 5.8 7.2 2.9 20 26 A M E +DE 7 25B 79 -13,-3.6 -13,-1.7 -2,-0.3 2,-0.4 -0.896 40.5 176.9 -95.1 115.0 5.1 5.3 -0.2 21 27 A Y E > - E 0 24B 17 3,-2.6 3,-1.6 -2,-0.7 -15,-0.1 -0.994 69.8 -5.8-124.6 125.5 6.6 1.8 0.4 22 28 A K T 3 S- 0 0 142 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.841 130.5 -59.7 56.4 36.4 6.2 -0.9 -2.2 23 29 A G T 3 S+ 0 0 51 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.434 118.7 105.6 76.5 0.6 3.8 1.5 -4.1 24 30 A Q E < S-E 21 0B 122 -3,-1.6 -3,-2.6 2,-0.0 -1,-0.2 -0.909 75.7-114.6-117.9 136.9 1.5 1.7 -1.1 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.491 44.3 169.2 -69.7 137.0 1.0 4.6 1.3 26 32 A M E -E 19 0B 60 -7,-2.7 -7,-3.0 -2,-0.2 2,-0.5 -0.988 32.1-132.0-151.1 138.4 2.1 3.7 4.8 27 33 A T E -E 18 0B 40 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.817 25.1-158.1 -93.3 126.4 2.7 5.5 8.0 28 34 A F E -Ef 17 76B 0 -11,-3.0 -11,-1.8 -2,-0.5 2,-0.6 -0.897 10.1-153.1-108.1 132.5 6.0 4.7 9.8 29 35 A R E -Ef 16 77B 26 47,-3.2 49,-1.1 -2,-0.4 -13,-0.2 -0.911 33.2-116.2 -95.1 124.9 6.8 5.2 13.4 30 36 A L E > - f 0 78B 1 -15,-2.8 3,-0.9 -2,-0.6 49,-0.2 -0.408 31.0-119.8 -67.3 128.3 10.5 5.6 13.8 31 37 A L T 3 S+ 0 0 12 47,-2.3 49,-0.1 1,-0.2 71,-0.1 -0.321 84.2 10.5 -65.1 150.0 12.2 2.8 15.9 32 38 A L T 3 S+ 0 0 1 69,-0.5 68,-1.2 74,-0.2 2,-0.3 0.535 104.4 99.1 65.8 12.9 14.0 3.5 19.1 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.916 46.2-168.1-133.8 159.1 13.0 7.1 19.6 34 40 A D E -H 98 0C 50 64,-1.4 64,-2.2 -2,-0.3 -3,-0.0 -0.956 16.4-161.4-142.5 116.6 10.6 9.4 21.5 35 41 A T - 0 0 4 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.787 32.6 -98.3 -99.6 144.8 10.3 13.0 20.5 36 42 A P - 0 0 25 0, 0.0 -22,-0.2 0, 0.0 11,-0.1 -0.400 49.8-102.2 -57.1 135.5 8.8 15.7 22.7 37 43 A E > - 0 0 102 1,-0.1 3,-2.1 2,-0.1 6,-0.2 -0.118 33.7-102.5 -57.7 159.4 5.2 16.4 21.8 38 50 A F T 3 S+ 0 0 46 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.878 122.6 49.1 -53.2 -38.8 4.4 19.5 19.8 39 51 A N T 3 S+ 0 0 93 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.324 99.7 78.2 -88.1 9.0 3.2 21.3 22.9 40 52 A E S X S- 0 0 95 -3,-2.1 3,-1.6 1,-0.1 2,-0.3 -0.520 99.8 -65.0-104.8 176.9 6.2 20.4 25.2 41 53 A K T 3 S+ 0 0 146 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.487 121.8 8.9 -71.6 130.5 9.6 22.1 25.3 42 54 A Y T 3> S+ 0 0 52 -2,-0.3 4,-3.0 -4,-0.1 -1,-0.3 0.505 94.5 121.9 78.7 8.6 11.6 21.6 22.1 43 55 A G H <> S+ 0 0 1 -3,-1.6 4,-2.6 2,-0.2 -5,-0.2 0.965 75.7 38.9 -66.6 -57.4 8.6 20.1 20.4 44 56 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.849 120.1 49.9 -60.7 -32.7 8.3 22.6 17.4 45 57 A E H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 112.6 45.3 -70.9 -44.1 12.1 22.6 17.2 46 58 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.871 113.2 52.3 -66.5 -36.1 12.3 18.8 17.2 47 59 A S H X S+ 0 0 9 -4,-2.6 4,-2.9 -5,-0.2 3,-0.2 0.968 108.7 47.1 -68.2 -51.3 9.5 18.6 14.7 48 60 A A H X S+ 0 0 15 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.918 109.5 54.7 -54.6 -47.9 11.0 21.0 12.1 49 61 A F H X S+ 0 0 64 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.890 113.6 42.3 -53.7 -41.9 14.4 19.2 12.4 50 62 A T H X S+ 0 0 1 -4,-1.6 4,-1.9 -3,-0.2 5,-0.2 0.959 114.9 48.2 -71.2 -53.0 12.7 15.9 11.5 51 63 A K H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.944 112.9 48.2 -53.4 -50.9 10.4 17.2 8.8 52 64 A K H X S+ 0 0 20 -4,-3.3 4,-3.0 -5,-0.2 5,-0.3 0.882 105.2 59.1 -63.8 -35.5 13.2 19.1 7.1 53 65 A M H X S+ 0 0 37 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.2 0.908 114.9 35.3 -57.9 -45.7 15.5 16.1 7.2 54 66 A V H < S+ 0 0 3 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.811 118.6 51.2 -79.5 -30.9 13.1 13.9 5.2 55 67 A E H < S+ 0 0 50 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.841 111.3 46.7 -73.9 -35.2 11.8 16.8 3.0 56 68 A N H < S+ 0 0 89 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.742 91.7 106.5 -78.6 -19.8 15.3 17.9 1.9 57 69 A A < - 0 0 20 -4,-0.8 3,-0.2 -5,-0.3 -3,-0.0 -0.239 56.7-157.9 -65.0 141.8 16.4 14.4 1.2 58 70 A K S S+ 0 0 198 1,-0.3 2,-0.4 0, 0.0 -1,-0.1 0.769 85.5 31.0 -85.2 -28.3 16.8 13.3 -2.4 59 71 A K - 0 0 120 -52,-0.0 24,-3.2 -54,-0.0 2,-0.4 -0.977 66.4-166.5-138.6 124.4 16.5 9.6 -1.4 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-0.9 -2,-0.4 2,-0.4 -0.851 11.7-169.4-105.8 141.1 14.5 8.1 1.4 61 73 A E E -AB 5 81A 40 20,-2.1 20,-2.6 -2,-0.4 2,-0.4 -0.990 13.1-144.8-133.1 146.1 15.1 4.5 2.5 62 74 A V E -AB 4 80A 0 -58,-3.0 -58,-2.5 -2,-0.4 2,-0.4 -0.880 13.5-173.9-107.4 136.7 13.2 2.2 4.8 63 75 A E E -AB 3 79A 11 16,-2.0 16,-2.9 -2,-0.4 -60,-0.2 -0.910 8.2-158.2-135.3 106.4 15.1 -0.4 7.0 64 76 A F - 0 0 14 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.412 13.9-134.1 -76.2 158.7 13.1 -2.9 9.0 65 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.264 35.8 -87.4 -98.6-168.0 14.7 -4.6 12.0 66 78 A K S S+ 0 0 149 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.553 104.3 53.1 -85.1 -6.3 14.6 -8.3 12.8 67 79 A G S S- 0 0 28 38,-0.4 38,-0.1 1,-0.3 -2,-0.1 0.010 104.9 -15.8-107.3-149.1 11.3 -8.2 14.7 68 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.2 -0.227 46.5-160.0 -58.8 140.4 7.7 -7.0 14.2 69 81 A R S S+ 0 0 118 1,-0.1 8,-1.9 -3,-0.1 2,-0.3 0.402 74.0 44.4-101.9 -1.4 7.4 -4.6 11.3 70 82 A T B S-G 76 0B 74 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.997 73.2-139.2-143.4 138.9 4.1 -3.0 12.3 71 83 A D > - 0 0 23 4,-2.5 3,-2.2 -2,-0.3 -2,-0.1 -0.287 43.2 -86.1 -89.1-177.5 2.8 -1.8 15.7 72 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.695 128.2 55.9 -62.3 -20.1 -0.6 -2.3 17.2 73 85 A Y T 3 S- 0 0 158 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.418 120.6-106.1 -93.1 1.7 -1.8 0.8 15.4 74 86 A G S < S+ 0 0 47 -3,-2.2 2,-0.4 1,-0.3 -47,-0.3 0.642 72.6 143.5 83.2 14.0 -0.8 -0.5 12.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.709 54.4-116.4 -85.7 137.8 2.2 1.8 11.7 76 88 A G E -fG 28 70B 1 -49,-2.6 -47,-3.2 -2,-0.4 2,-0.5 -0.403 24.5-143.7 -64.9 150.6 5.3 0.4 10.1 77 89 A L E +f 29 0B 20 -8,-1.9 -12,-0.5 -49,-0.2 2,-0.3 -0.971 42.5 122.8-123.1 115.4 8.3 0.2 12.4 78 90 A A E -f 30 0B 0 -49,-1.1 -47,-2.3 -2,-0.5 2,-0.5 -0.953 62.1 -98.6-161.2 169.8 11.7 0.9 10.8 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.0 -2,-0.3 2,-0.4 -0.881 42.3-148.4 -98.3 133.9 14.8 3.0 10.8 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.914 7.9-158.0-112.4 133.7 14.5 5.7 8.1 81 93 A Y E -BC 61 86A 15 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.5 -0.896 5.8-161.2-111.5 140.4 17.4 7.0 6.1 82 94 A A E > S-BC 60 85A 8 3,-3.1 3,-1.9 -2,-0.4 -22,-0.2 -0.966 84.5 -24.2-120.0 111.3 17.6 10.4 4.4 83 95 A D T 3 S- 0 0 78 -24,-3.2 -1,-0.1 -2,-0.5 -23,-0.1 0.903 128.5 -51.1 48.4 43.7 20.4 10.5 1.7 84 96 A G T 3 S+ 0 0 40 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.329 115.4 114.0 82.2 -7.0 22.1 7.7 3.7 85 97 A K E < S-C 82 0A 150 -3,-1.9 -3,-3.1 4,-0.0 2,-0.4 -0.844 72.0-119.5 -96.5 130.2 22.0 9.4 7.1 86 98 A M E > -C 81 0A 9 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.576 16.3-157.3 -73.4 122.8 19.8 7.7 9.6 87 99 A V H > S+ 0 0 1 -7,-3.4 4,-2.2 -2,-0.4 5,-0.2 0.906 92.4 55.2 -64.3 -44.3 16.9 10.0 10.8 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.933 113.9 42.5 -54.8 -44.4 16.4 8.1 14.0 89 101 A E H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.913 110.8 53.2 -71.0 -43.8 20.1 8.6 14.8 90 102 A A H X S+ 0 0 21 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.870 106.6 54.1 -58.0 -40.0 20.4 12.2 13.7 91 103 A K H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.3 0.927 113.1 41.1 -63.4 -47.3 17.4 13.2 15.9 92 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 5,-0.2 0.876 109.6 61.1 -64.5 -41.4 18.9 11.8 19.1 93 105 A R H 3<5S+ 0 0 70 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.776 105.5 46.1 -59.5 -29.6 22.4 13.1 18.2 94 106 A Q T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -3,-0.3 33,-0.2 0.240 118.8-106.4-101.0 14.5 21.2 16.7 18.2 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.3 2,-0.2 -3,-0.2 0.849 89.0 116.7 67.1 35.4 19.4 16.4 21.5 96 108 A L S - 0 0 149 -2,-1.0 3,-2.6 3,-0.5 -36,-0.1 -0.874 34.1 -95.0-106.6 137.5 11.8 -3.8 22.4 104 116 A K T 3 S+ 0 0 205 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.137 112.2 20.8 -42.9 126.0 13.4 -7.3 22.2 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -39,-0.5 -3,-0.0 -38,-0.4 0.063 115.3 66.7 95.4 -22.7 14.0 -8.1 18.6 106 118 A N S < S+ 0 0 9 -3,-2.6 -3,-0.5 -40,-0.2 -74,-0.2 -0.456 71.5 97.4-121.0 57.0 14.0 -4.6 17.2 107 119 A N > + 0 0 67 -5,-0.1 3,-1.8 1,-0.1 4,-0.4 0.098 32.8 124.7-132.0 23.9 17.1 -3.2 18.9 108 120 A T T 3 S+ 0 0 52 1,-0.3 3,-0.3 -3,-0.1 4,-0.2 0.899 85.5 35.8 -51.9 -45.6 19.8 -3.6 16.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.202 85.4 111.5 -97.2 17.6 20.8 0.1 16.4 110 122 A E H <> S+ 0 0 36 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.958 79.8 42.9 -54.3 -54.1 20.2 0.5 20.1 111 123 A Q H > S+ 0 0 136 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.819 112.5 53.5 -66.9 -29.9 23.9 1.0 21.1 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 113.1 44.3 -71.0 -42.7 24.6 3.3 18.1 113 125 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.856 110.5 53.4 -67.7 -36.7 21.6 5.5 19.2 114 126 A R H X S+ 0 0 93 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.889 107.6 51.8 -65.9 -35.8 22.6 5.4 22.9 115 127 A K H X S+ 0 0 132 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.870 108.6 52.2 -64.9 -35.3 26.1 6.6 21.9 116 128 A A H X S+ 0 0 4 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.892 110.7 46.6 -67.9 -37.6 24.5 9.4 20.0 117 129 A E H X S+ 0 0 28 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.862 111.3 51.4 -71.6 -37.3 22.4 10.4 23.1 118 130 A A H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.903 111.8 47.9 -63.1 -40.9 25.5 10.2 25.3 119 131 A Q H < S+ 0 0 66 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.835 110.4 51.1 -68.1 -37.3 27.3 12.5 22.8 120 132 A A H <>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 -1,-0.2 0.778 111.9 48.5 -69.2 -31.6 24.3 14.9 22.7 121 133 A K H ><5S+ 0 0 98 -4,-1.7 3,-4.3 2,-0.2 -2,-0.2 0.930 96.5 66.5 -72.8 -49.3 24.4 15.0 26.5 122 134 A K T 3<5S+ 0 0 183 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.767 112.2 40.4 -43.8 -24.2 28.1 15.6 26.8 123 135 A E T 3 5S- 0 0 86 -4,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.342 103.2-129.4-108.6 7.2 27.0 18.9 25.2 124 136 A K T < 5 - 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