==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-11 3QOJ . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 24.0 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 . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 6 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 80 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.7 33.6 11.9 -8.2 2 8 A H - 0 0 109 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.981 360.0-122.3-137.5 154.2 34.3 8.5 -6.8 3 9 A K E -A 63 0A 87 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.591 27.6-171.3 -89.6 140.9 35.4 6.9 -3.6 4 10 A E E -A 62 0A 22 58,-2.3 58,-2.6 -2,-0.3 2,-0.0 -0.940 28.0 -96.0-128.7 153.1 38.5 4.7 -3.7 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.318 45.0 156.5 -68.9 151.3 39.9 2.5 -0.9 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.948 27.3-138.8-156.5 164.6 42.7 3.4 1.4 7 13 A T E -D 20 0B 82 13,-1.5 13,-3.1 -2,-0.3 2,-0.4 -0.951 28.6-106.1-124.8 149.4 43.9 2.3 4.9 8 14 A L E +D 19 0B 49 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.589 33.7 172.4 -69.2 130.5 45.2 4.5 7.7 9 15 A I E - 0 0 78 9,-3.0 2,-0.3 -2,-0.4 10,-0.2 0.803 69.5 -24.7 -96.5 -52.4 48.9 4.4 8.3 10 16 A K E -D 18 0B 143 8,-1.9 8,-3.2 0, 0.0 -1,-0.3 -0.967 56.1-118.1-159.7 143.0 49.1 7.2 10.9 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.427 30.7 174.2 -68.3 147.0 47.2 10.3 12.0 12 18 A I - 0 0 89 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.562 51.7 -44.6-119.1 -66.4 49.3 13.5 11.6 13 19 A D S S- 0 0 22 3,-2.0 3,-0.5 33,-0.1 -1,-0.5 -0.751 75.7 -57.4-151.9-161.7 47.2 16.6 12.4 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 1,-0.2 77,-0.1 0.840 130.8 16.6 -57.7 -36.8 43.8 18.2 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.3 0.272 118.6 61.7-126.6 11.0 44.1 18.3 8.0 16 22 A T E + E 0 29B 12 -3,-0.5 -3,-2.0 13,-0.2 -4,-1.2 -0.989 50.9 161.5-133.9 148.6 46.9 15.8 7.1 17 23 A K E -DE 11 28B 0 11,-1.8 11,-3.2 -2,-0.3 2,-0.6 -0.979 38.5-110.6-156.1 162.7 47.3 12.1 7.6 18 24 A K E +DE 10 27B 72 -8,-3.2 -9,-3.0 -2,-0.3 -8,-1.9 -0.901 42.7 171.3-100.6 118.3 49.3 9.2 6.3 19 25 A L E -DE 8 26B 0 7,-2.5 7,-2.5 -2,-0.6 2,-0.6 -0.881 35.7-123.1-122.7 155.0 47.3 6.7 4.3 20 26 A M E +DE 7 25B 80 -13,-3.1 -13,-1.5 -2,-0.3 2,-0.4 -0.913 36.0 177.3 -95.4 125.2 48.1 3.7 2.1 21 27 A Y E > - E 0 24B 20 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.987 68.9 -7.3-136.7 128.4 46.6 4.3 -1.3 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.827 131.2 -58.7 48.1 36.3 47.0 1.8 -4.2 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.492 117.0 107.2 81.3 8.2 49.4 0.0 -1.9 24 30 A Q E < S-E 21 0B 127 -3,-2.1 -3,-2.6 -5,-0.0 2,-0.2 -0.921 72.2-116.3-124.1 139.3 51.8 3.0 -1.4 25 31 A P E +E 20 0B 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.519 44.0 166.1 -72.6 133.3 52.3 5.2 1.6 26 32 A M E -E 19 0B 41 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.5 -0.995 37.2-124.8-143.9 149.3 51.3 8.8 1.0 27 33 A T E -E 18 0B 30 -2,-0.3 49,-2.9 47,-0.3 2,-0.4 -0.816 31.1-155.8 -88.7 131.8 50.6 11.9 3.0 28 34 A F E -Ef 17 76B 0 -11,-3.2 -11,-1.8 -2,-0.5 2,-0.4 -0.905 8.1-158.6-109.0 139.8 47.1 13.3 2.2 29 35 A R E -Ef 16 77B 22 47,-3.2 49,-1.5 -2,-0.4 2,-0.2 -0.976 29.2-114.6-113.0 129.4 46.1 16.9 2.7 30 36 A L E > - f 0 78B 1 -15,-2.5 3,-0.9 -2,-0.4 49,-0.2 -0.431 31.1-120.0 -67.9 128.4 42.3 17.5 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.6 49,-0.1 -2,-0.2 71,-0.1 -0.375 84.5 6.8 -65.2 144.7 40.8 19.6 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.7 74,-0.1 2,-0.3 0.465 108.4 89.7 67.1 18.1 39.0 22.9 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.878 51.6-159.4-138.0 165.0 39.8 23.3 4.5 34 40 A D E -H 98 0C 54 64,-1.7 64,-2.3 -2,-0.3 3,-0.1 -0.921 9.9-167.0-143.3 115.9 42.4 24.7 6.9 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.759 36.4 -95.4 -88.5 157.0 42.8 23.5 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.260 47.4-103.8 -59.7 146.8 44.9 25.4 13.0 37 43 A E > - 0 0 88 1,-0.1 3,-2.2 -24,-0.1 6,-0.2 -0.381 36.4-103.8 -63.7 157.9 48.5 24.0 13.3 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.847 123.6 55.4 -53.1 -36.7 49.1 21.9 16.4 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.490 100.7 76.8 -76.5 -3.7 50.9 24.9 18.0 40 52 A E S X S- 0 0 98 -3,-2.2 3,-1.9 1,-0.1 2,-0.1 -0.567 99.4 -73.5-104.2 166.6 47.9 27.2 17.4 41 53 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.392 121.4 9.8 -59.5 137.4 44.6 27.6 19.3 42 54 A Y T 3> S+ 0 0 49 -2,-0.1 4,-2.7 -4,-0.1 -1,-0.3 0.352 99.2 112.3 66.3 -2.1 42.2 24.7 18.4 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.5 -6,-0.2 5,-0.2 0.948 77.4 44.6 -66.4 -49.8 45.1 23.0 16.7 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.903 114.3 51.2 -60.9 -35.5 45.3 20.2 19.3 45 57 A E H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.905 111.0 47.5 -65.7 -43.2 41.5 19.9 19.2 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.901 110.8 51.8 -61.3 -47.0 41.4 19.6 15.4 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.934 112.5 46.1 -55.1 -45.3 44.2 17.0 15.5 48 60 A A H X S+ 0 0 56 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.878 110.4 52.3 -70.0 -32.6 42.4 14.9 18.0 49 61 A F H X S+ 0 0 61 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.955 113.7 42.5 -66.9 -49.8 39.1 15.2 16.2 50 62 A T H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.898 113.9 52.9 -61.4 -47.7 40.6 14.0 12.8 51 63 A K H X S+ 0 0 97 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.927 111.5 45.4 -54.6 -47.8 42.7 11.3 14.6 52 64 A K H X S+ 0 0 138 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.947 112.1 52.5 -62.2 -44.8 39.6 9.8 16.3 53 65 A M H < S+ 0 0 28 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.897 117.1 35.5 -60.3 -43.3 37.5 10.0 13.2 54 66 A V H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.830 117.3 50.9 -85.1 -32.8 40.0 8.1 11.1 55 67 A E H < S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.803 111.9 47.6 -72.6 -29.3 41.3 5.6 13.7 56 68 A N S < S+ 0 0 100 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.612 91.6 106.6 -86.5 -14.1 37.8 4.6 14.7 57 69 A A - 0 0 17 -4,-0.5 3,-0.2 -3,-0.2 -3,-0.0 -0.439 55.8-158.8 -74.0 139.0 36.7 4.0 11.1 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.815 86.0 31.4 -79.0 -27.7 36.2 0.6 9.7 59 71 A K - 0 0 104 -52,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.979 66.5-167.5-138.7 116.6 36.6 1.9 6.2 60 72 A I E -AB 6 82A 12 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.858 13.7-176.4 -97.9 139.0 38.7 4.8 5.0 61 73 A E E -AB 5 81A 29 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.986 15.5-148.5-135.3 147.6 38.1 6.1 1.4 62 74 A V E -AB 4 80A 0 -58,-2.6 -58,-2.3 -2,-0.4 2,-0.5 -0.922 8.5-168.7-112.5 138.3 39.7 8.8 -0.7 63 75 A E E -AB 3 79A 7 16,-2.5 16,-2.8 -2,-0.4 2,-0.2 -0.947 9.2-156.4-126.5 112.2 37.9 10.8 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.515 14.5-130.6 -78.9 160.0 39.9 12.9 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.135 35.5 -85.3 -93.4-163.8 38.4 15.9 -7.3 66 78 A K S S+ 0 0 171 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.622 104.9 39.3 -80.2 -14.1 38.5 16.8 -11.0 67 79 A G S S+ 0 0 32 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.145 105.0 5.0-112.1-140.7 41.9 18.6 -10.9 68 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.195 47.4-169.6 -51.6 131.1 45.3 18.3 -9.4 69 81 A R S S+ 0 0 113 1,-0.1 8,-2.3 -3,-0.1 2,-0.3 0.570 71.6 36.3-100.0 -15.3 45.7 15.2 -7.3 70 82 A T B S-G 76 0B 76 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.984 76.1-137.8-135.5 141.1 49.0 16.0 -5.6 71 83 A D > - 0 0 24 4,-2.6 3,-1.9 -2,-0.3 -2,-0.1 -0.259 41.4 -84.6 -90.6-170.9 50.3 19.3 -4.3 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.631 129.7 54.1 -69.8 -14.0 53.7 20.9 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.277 121.1-107.3 -97.9 5.4 54.9 19.0 -1.5 74 86 A G S < S+ 0 0 51 -3,-1.9 2,-0.3 1,-0.3 -47,-0.3 0.626 71.5 146.3 76.7 9.7 53.8 15.6 -3.0 75 87 A R - 0 0 65 -49,-0.1 -4,-2.6 -47,-0.1 -1,-0.3 -0.684 54.2-114.5 -78.7 137.5 50.7 15.4 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.9 -47,-3.2 -2,-0.3 2,-0.6 -0.438 24.9-145.3 -60.8 140.0 47.6 13.7 -2.1 77 89 A L E +f 29 0B 19 -8,-2.3 -12,-0.5 -49,-0.2 2,-0.3 -0.964 42.4 130.0-114.7 113.5 44.7 16.3 -2.3 78 90 A A E -f 30 0B 1 -49,-1.5 -47,-2.6 -2,-0.6 2,-0.5 -0.955 62.6-104.2-150.9 165.3 41.4 14.6 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.8 -16,-2.5 -2,-0.3 2,-0.4 -0.901 43.9-149.6 -89.5 133.8 38.1 14.4 0.3 80 92 A I E -B 62 0A 0 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.898 8.9-159.8-115.1 127.6 38.6 11.7 2.9 81 93 A Y E -BC 61 86A 17 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.5 -0.916 8.3-163.0-108.7 138.6 35.7 9.6 4.2 82 94 A A E > S-BC 60 85A 9 3,-2.9 3,-2.2 -2,-0.4 -22,-0.2 -0.983 85.3 -23.9-118.2 112.8 35.5 7.6 7.5 83 95 A D T 3 S- 0 0 86 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.884 129.8 -50.1 47.2 44.0 32.7 5.0 7.3 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.347 115.2 115.4 84.6 -5.3 31.0 7.2 4.7 85 97 A K E < -C 82 0A 117 -3,-2.2 -3,-2.9 4,-0.0 2,-0.4 -0.853 69.0-121.3 -97.6 131.9 31.2 10.5 6.6 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.522 13.1-156.7 -76.4 125.6 33.5 13.2 5.1 87 99 A V H > S+ 0 0 0 -7,-3.4 4,-2.6 -2,-0.4 5,-0.2 0.918 93.2 56.3 -64.2 -42.4 36.3 14.3 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.932 111.4 42.0 -55.1 -48.2 36.6 17.6 5.6 89 101 A E H > S+ 0 0 58 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.892 111.8 55.1 -66.7 -42.1 32.9 18.5 6.1 90 102 A A H X S+ 0 0 4 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.890 107.0 49.7 -64.3 -40.1 32.9 17.2 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 6,-0.8 0.932 113.3 46.6 -60.7 -47.3 35.8 19.4 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-1.8 -5,-0.2 -2,-0.2 0.927 110.2 53.6 -61.9 -41.6 34.2 22.5 9.2 93 105 A R H 3<5S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.810 108.7 49.8 -69.7 -26.2 30.8 21.6 10.8 94 106 A Q T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.378 114.9-113.1 -89.6 7.2 32.4 21.5 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.3 2,-0.2 -3,-0.2 0.797 88.0 115.6 67.3 27.3 34.2 24.8 13.9 96 108 A L S - 0 0 152 -2,-1.3 3,-1.9 3,-0.4 -3,-0.0 -0.756 35.0 -95.8 -99.1 144.1 41.2 26.5 -6.1 104 116 A K T 3 S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.189 108.0 17.6 -60.6 135.3 39.3 26.5 -9.4 105 117 A G T 3 S+ 0 0 34 -38,-0.1 -1,-0.3 1,-0.1 -38,-0.2 0.506 115.8 67.5 76.4 -0.1 38.6 23.0 -10.7 106 118 A N S < S+ 0 0 11 -3,-1.9 -3,-0.4 -40,-0.2 -74,-0.1 -0.425 76.1 93.8-125.6 58.4 39.2 21.2 -7.4 107 119 A N > + 0 0 55 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.023 33.7 131.5-136.8 35.0 36.2 22.7 -5.7 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.887 82.1 38.9 -55.2 -43.9 33.4 20.1 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.181 81.9 113.3 -95.2 20.7 32.3 20.2 -2.5 110 122 A E H <> S+ 0 0 36 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.930 78.9 44.1 -59.3 -49.0 32.8 23.9 -1.9 111 123 A Q H > S+ 0 0 131 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.915 111.8 53.1 -69.3 -38.6 29.1 24.7 -1.4 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.919 113.4 44.9 -53.9 -48.7 28.5 21.7 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.896 109.6 53.3 -71.1 -36.9 31.4 22.8 3.0 114 126 A R H X S+ 0 0 93 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.893 106.2 54.5 -65.8 -32.1 30.4 26.5 3.1 115 127 A K H X S+ 0 0 133 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.946 108.8 48.6 -62.7 -37.3 27.0 25.4 4.3 116 128 A A H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.898 109.9 52.0 -67.9 -44.5 28.6 23.5 7.2 117 129 A E H X S+ 0 0 25 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.922 106.7 53.1 -61.6 -40.9 30.8 26.5 8.1 118 130 A A H X S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.918 110.0 48.1 -60.8 -40.0 27.8 28.8 8.2 119 131 A Q H X S+ 0 0 66 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.922 111.6 49.1 -66.9 -42.5 26.1 26.4 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.2 0.903 112.9 48.6 -62.9 -37.1 29.3 26.2 12.8 121 133 A K H ><5S+ 0 0 95 -4,-2.7 3,-1.3 2,-0.2 -2,-0.2 0.911 108.7 51.5 -70.7 -39.7 29.5 29.9 12.8 122 134 A K H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.891 112.7 48.0 -63.3 -38.9 25.8 30.4 13.8 123 135 A E T 3<5S- 0 0 102 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.497 107.9-130.7 -78.5 -4.2 26.4 28.0 16.7 124 136 A K T < 5 + 0 0 138 -3,-1.3 2,-0.4 -4,-0.2 -3,-0.2 0.859 42.8 178.9 55.5 40.8 29.6 29.9 17.7 125 137 A L > < - 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