==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAR-11 3R3O . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 . 32 24.8 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 . 1 0.8 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 . 28 21.7 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 1 1 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 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 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 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 64 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.7 2.5 -15.2 -8.2 2 8 A H - 0 0 153 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.977 360.0-130.0-128.8 138.5 3.2 -18.7 -6.9 3 9 A K E -A 63 0A 97 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.653 28.5-170.9 -82.1 137.7 4.2 -20.1 -3.4 4 10 A E E -A 62 0A 42 58,-2.1 58,-3.2 -2,-0.3 -2,-0.0 -0.968 24.8 -97.5-129.3 152.1 7.2 -22.4 -3.4 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.204 45.3 152.4 -70.5 155.4 8.6 -24.6 -0.6 6 12 A A E -AB 60 21A 13 54,-1.4 54,-0.7 15,-0.1 2,-0.3 -0.932 29.7-135.4-165.4 164.6 11.5 -23.7 1.7 7 13 A T E - B 0 20A 84 13,-1.3 13,-3.0 -2,-0.3 2,-0.2 -0.969 29.6-102.8-129.3 147.9 12.6 -24.7 5.2 8 14 A L E + B 0 19A 51 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.505 33.6 172.3 -64.3 132.0 13.9 -22.5 8.0 9 15 A I E - 0 0 70 9,-2.8 2,-0.3 -2,-0.2 10,-0.2 0.753 68.7 -32.6 -97.3 -55.5 17.6 -22.5 8.5 10 16 A K E - B 0 18A 123 8,-2.0 8,-2.7 0, 0.0 -1,-0.2 -0.923 53.2-110.2-162.4 148.0 17.5 -19.7 11.1 11 17 A A E + B 0 17A 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.308 31.8 173.9 -59.7 145.8 15.9 -16.4 12.1 12 18 A I - 0 0 84 4,-1.0 2,-0.2 1,-0.5 5,-0.2 0.563 51.8 -47.8-117.8 -74.7 18.0 -13.3 11.6 13 19 A D S S- 0 0 22 3,-1.6 -1,-0.5 33,-0.1 3,-0.3 -0.727 75.0 -57.5-144.8-159.8 16.0 -10.2 12.4 14 20 A G S S+ 0 0 1 22,-0.3 77,-0.1 -2,-0.2 23,-0.1 0.891 129.9 17.6 -55.1 -47.1 12.7 -8.5 11.6 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.8 20,-0.1 2,-0.3 0.317 116.5 64.3-121.5 13.8 13.0 -8.4 7.9 16 22 A T E + C 0 29A 13 -3,-0.3 -3,-1.6 13,-0.2 -4,-1.0 -0.972 52.7 171.7-130.4 155.3 15.7 -11.0 6.9 17 23 A V E -BC 11 28A 9 11,-1.9 11,-3.2 -2,-0.3 2,-0.7 -0.990 32.0-122.4-161.1 145.0 15.8 -14.8 7.4 18 24 A K E +BC 10 27A 74 -8,-2.7 -9,-2.8 -2,-0.3 -8,-2.0 -0.867 41.0 168.0 -99.0 116.3 18.0 -17.7 6.4 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.2 -2,-0.7 2,-0.6 -0.880 38.7-122.3-123.3 156.3 16.0 -20.3 4.5 20 26 A M E -BC 7 25A 80 -13,-3.0 -13,-1.3 -2,-0.3 2,-0.4 -0.912 36.7-179.8 -96.9 119.2 16.9 -23.4 2.4 21 27 A Y E > -BC 6 24A 19 3,-2.8 3,-2.2 -2,-0.6 -15,-0.1 -0.984 68.1 -9.2-128.7 131.5 15.3 -22.8 -1.1 22 28 A K T 3 S- 0 0 155 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.860 131.9 -56.6 40.6 40.3 15.7 -25.3 -3.9 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.548 117.8 106.9 82.8 2.6 18.1 -27.1 -1.6 24 30 A Q E < S-C 21 0A 125 -3,-2.2 -3,-2.8 2,-0.0 2,-0.2 -0.941 72.0-116.0-119.3 137.4 20.5 -24.1 -1.2 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.537 43.8 167.7 -68.9 138.5 21.0 -21.8 1.9 26 32 A M E -C 19 0A 46 -7,-2.2 -7,-2.6 -2,-0.2 2,-0.5 -0.991 36.5-128.6-150.8 141.1 20.0 -18.2 1.2 27 33 A T E -C 18 0A 44 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.848 30.3-154.3 -86.8 127.2 19.4 -15.1 3.2 28 34 A F E -Cd 17 76A 0 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.5 -0.865 7.7-155.9-102.7 137.4 16.0 -13.6 2.3 29 35 A R E -Cd 16 77A 22 47,-3.7 49,-1.2 -2,-0.4 2,-0.3 -0.951 30.0-116.7-108.1 126.3 15.1 -9.9 2.6 30 36 A L E > - d 0 78A 6 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.477 30.6-119.1 -68.8 129.6 11.3 -9.4 2.9 31 37 A L T 3 S+ 0 0 11 47,-2.2 49,-0.1 -2,-0.3 71,-0.1 -0.360 84.1 6.5 -64.2 145.8 9.8 -7.4 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.455 108.4 88.8 72.5 10.3 8.0 -4.1 0.6 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.897 51.6-158.6-136.1 164.8 8.8 -3.7 4.3 34 40 A D E -H 98 0B 55 64,-1.8 64,-2.2 -2,-0.3 3,-0.1 -0.910 9.3-167.4-143.7 115.8 11.4 -2.2 6.7 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.654 37.1 -97.5 -88.0 153.5 11.8 -3.3 10.3 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.389 49.0-100.0 -58.7 152.5 14.0 -1.3 12.8 37 43 A E > - 0 0 90 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.338 38.3-101.7 -67.6 160.0 17.5 -2.7 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.833 123.7 53.5 -55.5 -35.5 18.0 -4.9 16.2 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.435 100.7 81.1 -80.2 -0.5 19.8 -2.0 18.0 40 52 A E S X S- 0 0 98 -3,-2.4 3,-2.1 1,-0.1 2,-0.1 -0.603 98.2 -72.0-104.3 166.7 16.9 0.4 17.3 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.346 121.7 6.4 -59.0 128.8 13.6 1.1 19.0 42 54 A Y T 3> S+ 0 0 43 -4,-0.1 4,-2.4 -2,-0.1 -1,-0.3 0.375 99.3 113.2 73.8 -1.8 11.2 -1.9 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.5 -6,-0.3 -5,-0.2 0.925 75.7 47.9 -61.6 -47.0 14.0 -3.7 16.6 44 56 A P H > S+ 0 0 53 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.896 113.3 48.5 -64.3 -36.4 14.1 -6.4 19.3 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.895 110.4 50.7 -67.6 -40.7 10.3 -6.8 19.1 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.940 111.9 48.0 -61.8 -45.7 10.4 -7.0 15.3 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 112.9 47.9 -58.2 -46.2 13.1 -9.7 15.5 48 60 A A H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.911 112.7 49.1 -63.4 -40.3 11.2 -11.7 18.2 49 61 A F H X S+ 0 0 60 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.941 114.0 43.4 -67.8 -47.5 8.0 -11.5 16.2 50 62 A A H X S+ 0 0 9 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.852 115.0 51.7 -63.4 -38.9 9.5 -12.7 12.9 51 63 A K H X S+ 0 0 94 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.914 110.6 45.8 -66.4 -49.0 11.5 -15.4 14.7 52 64 A K H X S+ 0 0 137 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.925 111.4 54.6 -59.6 -43.3 8.4 -16.8 16.5 53 65 A M H X S+ 0 0 15 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.917 116.0 35.4 -61.5 -43.6 6.4 -16.7 13.3 54 66 A V H < S+ 0 0 7 -4,-2.0 -1,-0.2 2,-0.2 3,-0.2 0.837 117.0 51.5 -80.0 -34.7 9.0 -18.8 11.3 55 67 A E H < S+ 0 0 93 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.801 111.4 48.0 -73.6 -29.7 10.1 -21.1 14.1 56 68 A N H < S+ 0 0 113 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.652 90.6 105.8 -79.8 -21.6 6.6 -22.1 15.0 57 69 A A < - 0 0 20 -4,-0.6 3,-0.1 -5,-0.2 -3,-0.0 -0.368 53.4-162.1 -67.5 138.5 5.5 -22.8 11.3 58 70 A K S S+ 0 0 202 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.762 86.2 35.4 -82.3 -25.2 5.0 -26.3 10.0 59 71 A K - 0 0 110 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.988 66.3-169.8-138.3 117.5 5.3 -25.0 6.5 60 72 A I E -AE 6 82A 10 -54,-0.7 -54,-1.4 -2,-0.4 2,-0.4 -0.926 12.8-173.6-104.3 133.6 7.4 -22.1 5.2 61 73 A E E -AE 5 81A 27 20,-2.2 20,-2.8 -2,-0.4 2,-0.4 -0.984 14.7-147.1-127.6 150.6 6.8 -20.9 1.6 62 74 A V E -AE 4 80A 0 -58,-3.2 -58,-2.1 -2,-0.4 2,-0.5 -0.901 10.4-169.2-116.4 134.1 8.6 -18.4 -0.6 63 75 A E E -AE 3 79A 12 16,-2.3 16,-2.7 -2,-0.4 -60,-0.2 -0.920 7.4-157.0-128.2 105.4 6.8 -16.2 -3.1 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.443 13.1-136.3 -75.1 153.9 8.8 -14.2 -5.6 65 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.189 36.6 -84.7 -93.7-163.8 7.2 -11.2 -7.2 66 78 A K S S+ 0 0 165 39,-0.1 40,-0.2 -2,-0.1 3,-0.1 0.612 105.0 47.4 -82.4 -14.2 7.4 -10.3 -11.0 67 79 A G S S- 0 0 33 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.186 105.5 -10.6-110.8-141.8 10.8 -8.5 -10.9 68 80 A Q - 0 0 124 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.313 45.1-163.8 -71.7 144.1 14.3 -9.2 -9.5 69 81 A R S S+ 0 0 121 1,-0.1 8,-2.3 -3,-0.1 2,-0.4 0.466 73.6 47.9-105.2 -10.7 14.6 -12.1 -7.1 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.994 74.8-139.4-131.4 137.1 18.0 -11.2 -5.6 71 83 A D > - 0 0 23 4,-2.8 3,-2.1 -2,-0.4 -2,-0.1 -0.279 41.5 -88.5 -87.4-177.7 19.2 -7.8 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.637 128.9 54.8 -68.2 -14.7 22.6 -6.3 -4.9 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.306 121.3-105.1 -92.8 2.0 23.8 -8.1 -1.7 74 86 A G S < S+ 0 0 50 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.599 73.7 143.6 82.1 7.6 22.7 -11.6 -3.0 75 87 A R - 0 0 66 -49,-0.1 -4,-2.8 -47,-0.1 -1,-0.3 -0.665 54.6-117.7 -76.9 136.4 19.7 -11.7 -0.6 76 88 A G E -dF 28 70A 0 -49,-2.6 -47,-3.7 -2,-0.3 2,-0.6 -0.506 22.8-144.5 -68.5 143.6 16.6 -13.3 -2.1 77 89 A L E +d 29 0A 19 -8,-2.3 -12,-0.5 -49,-0.2 2,-0.3 -0.953 42.9 126.4-114.4 113.1 13.6 -10.9 -2.3 78 90 A A E -d 30 0A 0 -49,-1.2 -47,-2.2 -2,-0.6 2,-0.5 -0.943 63.3-100.3-152.9 168.4 10.3 -12.6 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.5 -0.892 43.5-149.1 -93.0 129.3 7.1 -12.6 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.901 10.3-161.6-108.2 131.7 7.6 -15.2 3.1 81 93 A Y E -EG 61 86A 16 -20,-2.8 -20,-2.2 -2,-0.5 2,-0.5 -0.910 9.3-161.1-116.1 144.2 4.6 -17.3 4.4 82 94 A A E > S-EG 60 85A 6 3,-3.0 3,-2.0 -2,-0.4 -22,-0.2 -0.970 82.7 -25.3-124.0 110.0 4.3 -19.2 7.6 83 95 A D T 3 S- 0 0 82 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.886 129.8 -47.4 48.8 44.1 1.5 -21.8 7.6 84 96 A G T 3 S+ 0 0 43 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.284 116.8 112.5 91.8 -11.0 -0.2 -19.7 4.9 85 97 A K E < -G 82 0A 124 -3,-2.0 -3,-3.0 3,-0.0 2,-0.4 -0.845 69.2-122.2-100.8 129.3 0.2 -16.4 6.7 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.530 11.9-158.0 -76.6 123.2 2.4 -13.7 5.2 87 99 A V H > S+ 0 0 4 -7,-3.3 4,-2.3 -2,-0.4 5,-0.2 0.914 93.0 57.0 -64.3 -42.7 5.2 -12.7 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.914 112.0 41.2 -51.4 -48.5 5.6 -9.4 5.5 89 101 A E H > S+ 0 0 65 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.867 111.6 55.2 -70.2 -40.5 2.0 -8.4 6.1 90 102 A A H X S+ 0 0 16 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.889 106.5 50.6 -63.2 -45.9 1.9 -9.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.8 0.947 114.0 45.2 -53.8 -48.7 4.9 -7.4 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.1 -5,-0.2 -2,-0.2 0.942 109.5 55.0 -63.5 -41.5 3.2 -4.3 9.1 93 105 A R H 3<5S+ 0 0 78 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 108.9 48.3 -64.9 -30.7 -0.2 -5.1 10.7 94 106 A Q T 3<5S- 0 0 72 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.353 116.0-113.6 -88.7 4.8 1.4 -5.2 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.4 2,-0.2 -3,-0.2 0.824 86.2 119.3 67.5 27.0 3.2 -1.9 13.6 96 108 A L S - 0 0 154 -2,-1.1 3,-2.0 3,-0.4 -3,-0.0 -0.817 35.6 -96.4-101.4 140.5 10.2 -0.6 -6.4 104 116 A K T 3 S+ 0 0 205 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.199 109.0 21.4 -49.4 136.3 8.3 -0.7 -9.7 105 117 A G T 3 S+ 0 0 39 -38,-0.1 -38,-0.3 1,-0.1 -1,-0.3 0.416 115.2 66.3 81.1 -6.8 7.7 -4.3 -10.8 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.448 76.0 94.3-127.1 58.8 8.2 -5.9 -7.4 107 119 A N > + 0 0 58 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.100 32.2 129.6-138.7 33.2 5.1 -4.4 -5.8 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.889 82.9 39.5 -56.3 -41.5 2.3 -6.9 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.230 82.3 114.3-101.0 18.0 1.2 -6.9 -2.5 110 122 A E H <> S+ 0 0 40 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.935 79.1 41.8 -48.6 -57.4 1.7 -3.1 -2.0 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.890 111.5 55.5 -70.1 -32.3 -1.9 -2.2 -1.4 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 113.2 43.6 -58.7 -46.7 -2.5 -5.2 0.8 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.869 110.5 53.4 -69.1 -37.2 0.4 -4.1 3.0 114 126 A R H X S+ 0 0 91 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.886 106.7 53.8 -63.8 -34.8 -0.6 -0.4 3.0 115 127 A K H X S+ 0 0 150 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.934 109.8 47.6 -64.4 -42.3 -4.1 -1.4 4.2 116 128 A A H X S+ 0 0 6 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.885 110.7 51.7 -65.0 -43.2 -2.4 -3.3 7.1 117 129 A E H X S+ 0 0 25 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.922 107.5 52.7 -57.6 -43.0 -0.2 -0.3 7.8 118 130 A A H X S+ 0 0 38 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.902 111.2 46.4 -63.9 -36.8 -3.2 2.0 8.0 119 131 A Q H X S+ 0 0 71 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.921 112.1 50.0 -74.7 -40.1 -4.9 -0.2 10.5 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.870 111.8 50.1 -56.6 -40.8 -1.8 -0.6 12.6 121 133 A K H ><5S+ 0 0 101 -4,-2.5 3,-1.4 3,-0.2 -2,-0.2 0.911 107.1 53.5 -68.7 -39.6 -1.5 3.2 12.6 122 134 A K H 3<5S+ 0 0 142 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.921 111.1 45.8 -58.1 -44.8 -5.1 3.6 13.6 123 135 A E T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.433 108.8-129.2 -78.7 1.7 -4.5 1.4 16.6 124 136 A K T < 5 - 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