==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAY-13 4KHV . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SORENSON,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) . 7320.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 30 23.3 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 . 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 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 1 2 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 64 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 154.6 2.5 -0.2 -8.2 2 8 A H - 0 0 150 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.968 360.0-132.5-126.8 136.6 3.4 -3.7 -7.0 3 9 A K - 0 0 92 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.663 28.1-171.3 -85.3 134.0 4.2 -5.1 -3.6 4 10 A E E -A 62 0A 43 58,-2.6 58,-2.8 -2,-0.3 2,-0.0 -0.928 26.0 -96.7-124.6 150.0 7.4 -7.4 -3.6 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.314 44.8 157.2 -66.9 149.0 8.8 -9.6 -0.8 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.957 26.0-141.0-154.0 165.5 11.6 -8.6 1.5 7 13 A T E -D 20 0B 80 13,-1.5 13,-3.1 -2,-0.3 2,-0.3 -0.974 29.1-104.5-128.1 150.2 12.7 -9.7 5.0 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.514 35.2 170.7 -67.5 131.0 14.1 -7.6 7.8 9 15 A I E - 0 0 78 9,-3.0 2,-0.3 1,-0.3 10,-0.2 0.761 69.0 -23.5 -98.9 -52.6 17.8 -7.7 8.4 10 16 A K E -D 18 0B 147 8,-2.3 8,-2.8 0, 0.0 -1,-0.3 -0.974 58.2-116.8-160.3 139.3 18.2 -4.9 10.9 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.398 30.0 173.0 -66.7 151.3 16.4 -1.7 12.0 12 18 A I - 0 0 83 4,-1.0 2,-0.2 1,-0.4 5,-0.2 0.565 50.5 -48.2-121.7 -72.0 18.3 1.5 11.5 13 19 A D S S- 0 0 25 3,-1.8 3,-0.4 33,-0.1 -1,-0.4 -0.704 73.1 -58.1-152.6-160.4 16.1 4.6 12.3 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.842 130.2 20.2 -63.8 -34.3 12.8 6.2 11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.279 117.3 61.5-121.6 7.4 13.0 6.4 8.0 16 22 A T E + E 0 29B 12 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.0 -0.983 51.2 170.8-133.2 148.6 15.6 3.8 7.0 17 23 A S E -DE 11 28B 11 11,-1.8 11,-3.1 -2,-0.3 2,-0.7 -0.982 33.2-120.5-150.4 150.6 15.8 -0.0 7.5 18 24 A K E +DE 10 27B 68 -8,-2.8 -9,-3.0 -2,-0.3 -8,-2.3 -0.864 42.8 169.7 -99.8 118.1 18.1 -2.8 6.3 19 25 A L E -DE 8 26B 0 7,-2.5 7,-2.5 -2,-0.7 2,-0.6 -0.870 37.7-120.9-125.4 155.4 16.1 -5.4 4.4 20 26 A M E +DE 7 25B 82 -13,-3.1 -13,-1.5 -2,-0.3 2,-0.4 -0.897 35.6 177.8 -97.7 123.6 16.9 -8.3 2.2 21 27 A Y E > - E 0 24B 21 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.987 69.8 -7.5-133.8 125.1 15.4 -7.7 -1.3 22 28 A K T 3 S- 0 0 160 -17,-0.5 -1,-0.1 -2,-0.4 -16,-0.1 0.817 131.6 -58.4 50.1 37.1 15.9 -10.3 -4.1 23 29 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.559 116.8 108.3 80.2 6.7 18.2 -12.0 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-2.1 -3,-2.6 -5,-0.0 2,-0.2 -0.941 72.0-114.3-120.8 140.9 20.6 -9.0 -1.3 25 31 A P E +E 20 0B 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.533 44.1 168.5 -71.9 131.3 21.1 -6.8 1.7 26 32 A M E -E 19 0B 41 -7,-2.5 -7,-2.5 -2,-0.2 2,-0.5 -0.996 36.5-128.4-143.2 143.1 20.0 -3.2 1.1 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.809 30.8-155.8 -84.4 128.0 19.4 -0.1 3.1 28 34 A F E -Ef 17 76B 2 -11,-3.1 -11,-1.8 -2,-0.5 2,-0.5 -0.905 6.9-157.3-107.1 132.7 15.9 1.2 2.2 29 35 A R E -Ef 16 77B 22 47,-3.3 49,-1.5 -2,-0.4 2,-0.2 -0.944 28.7-115.4-105.0 128.9 14.9 4.9 2.7 30 36 A L E > - f 0 78B 11 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.436 31.9-119.7 -68.2 127.1 11.2 5.5 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.5 49,-0.1 -2,-0.2 71,-0.1 -0.397 84.5 7.3 -63.7 142.8 9.6 7.5 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.7 1,-0.1 2,-0.3 0.450 108.1 92.6 71.1 12.3 7.9 10.9 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.913 50.8-159.9-131.0 166.1 8.8 11.2 4.5 34 40 A D E -H 98 0C 55 64,-2.0 64,-2.2 -2,-0.3 3,-0.0 -0.939 9.6-168.4-143.1 115.6 11.3 12.7 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.730 36.2 -97.7 -88.9 153.3 11.8 11.6 10.4 36 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.298 47.4-100.2 -62.8 150.3 13.9 13.5 12.9 37 43 A E > - 0 0 84 1,-0.1 3,-2.4 -24,-0.1 6,-0.3 -0.385 36.1-105.2 -69.7 153.9 17.5 12.2 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.847 123.5 57.0 -51.0 -36.5 18.0 10.0 16.4 39 51 A N T 3 S+ 0 0 132 4,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.607 100.4 75.4 -64.6 -16.1 19.8 13.0 18.0 40 52 A E S X S- 0 0 97 -3,-2.4 3,-2.1 1,-0.1 2,-0.1 -0.490 99.3 -73.0-102.0 167.7 16.8 15.3 17.5 41 53 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.368 121.5 10.1 -62.3 136.9 13.5 15.7 19.3 42 54 A Y T 3> S+ 0 0 44 -4,-0.1 4,-2.8 -2,-0.1 -1,-0.3 0.326 98.5 113.1 66.5 -1.8 11.1 12.8 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.3 -5,-0.2 0.946 77.0 44.7 -60.3 -52.0 14.1 11.0 16.8 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 113.7 50.8 -58.3 -39.2 14.2 8.3 19.3 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 111.2 48.0 -70.9 -38.1 10.4 7.9 19.2 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.919 111.8 49.6 -65.5 -46.9 10.4 7.6 15.4 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.914 113.2 47.0 -53.2 -49.7 13.2 5.1 15.4 48 60 A A H X S+ 0 0 56 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.901 110.2 53.1 -62.2 -38.5 11.3 3.0 18.0 49 61 A F H X S+ 0 0 58 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.958 113.5 41.6 -62.8 -52.0 8.1 3.3 16.1 50 62 A T H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.929 113.2 54.1 -59.0 -49.6 9.6 2.0 12.9 51 63 A K H X S+ 0 0 96 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.912 112.0 43.8 -53.6 -47.3 11.6 -0.7 14.6 52 64 A K H X S+ 0 0 142 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.942 113.1 51.0 -66.0 -46.1 8.6 -2.1 16.3 53 65 A M H X S+ 0 0 34 -4,-2.6 4,-0.5 -5,-0.2 -2,-0.2 0.922 117.4 38.1 -59.3 -42.5 6.4 -2.0 13.3 54 66 A V H >< S+ 0 0 4 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.891 117.0 49.3 -79.9 -37.0 8.9 -3.8 11.0 55 67 A E H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.783 111.0 49.8 -70.7 -30.2 10.2 -6.3 13.6 56 68 A N H 3< S+ 0 0 116 -4,-2.0 -1,-0.2 -5,-0.2 2,-0.2 0.600 89.1 105.2 -86.1 -13.2 6.7 -7.4 14.7 57 69 A A << - 0 0 18 -4,-0.5 3,-0.2 -3,-0.5 -3,-0.0 -0.464 57.0-157.7 -71.8 138.8 5.5 -8.0 11.2 58 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.793 87.4 34.6 -77.7 -26.5 5.1 -11.5 9.9 59 71 A K - 0 0 113 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.963 66.4-170.1-136.2 118.4 5.4 -10.1 6.3 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.856 12.2-174.9-101.9 139.6 7.4 -7.2 5.1 61 73 A E E -AB 5 81A 29 20,-2.3 20,-2.6 -2,-0.4 2,-0.4 -0.980 15.1-147.9-133.4 150.0 6.9 -5.9 1.6 62 74 A V E -AB 4 80A 0 -58,-2.8 -58,-2.6 -2,-0.3 2,-0.5 -0.934 9.3-168.9-112.6 137.7 8.6 -3.3 -0.6 63 75 A E E - B 0 79A 8 16,-2.4 16,-2.7 -2,-0.4 -60,-0.2 -0.943 8.3-156.5-128.9 114.8 6.8 -1.2 -3.2 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.441 13.6-134.6 -83.7 151.7 8.8 0.9 -5.6 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.159 36.0 -84.8 -87.0-164.5 7.2 3.9 -7.3 66 78 A K S S+ 0 0 163 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.641 104.7 46.5 -79.5 -22.7 7.5 4.8 -11.0 67 79 A G S S- 0 0 33 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.226 105.4 -5.8-102.8-137.9 10.8 6.6 -10.9 68 80 A Q - 0 0 122 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.279 46.3-165.1 -70.4 142.2 14.2 6.1 -9.5 69 81 A R S S+ 0 0 122 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.548 73.2 40.1-102.5 -14.1 14.5 3.0 -7.3 70 82 A T B S-G 76 0B 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.977 74.9-138.5-131.4 143.8 17.9 3.9 -5.6 71 83 A D > - 0 0 23 4,-2.4 3,-2.2 -2,-0.3 -2,-0.1 -0.317 42.1 -84.7 -91.2-175.6 19.2 7.3 -4.4 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.647 129.1 54.6 -66.0 -11.3 22.6 8.8 -4.8 73 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.289 121.0-106.0 -99.4 -0.4 23.8 6.9 -1.6 74 86 A G S < S+ 0 0 52 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.622 72.3 145.8 84.1 8.0 22.7 3.5 -3.1 75 87 A R - 0 0 68 -49,-0.1 -4,-2.4 -47,-0.1 -1,-0.3 -0.654 53.5-114.6 -78.8 137.6 19.6 3.3 -0.8 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-3.3 -2,-0.3 2,-0.6 -0.492 23.9-144.5 -62.3 140.5 16.5 1.7 -2.0 77 89 A L E +f 29 0B 20 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.964 42.4 129.9-114.4 113.0 13.6 4.1 -2.3 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.5 -2,-0.6 2,-0.5 -0.955 61.8-105.4-152.4 163.7 10.3 2.5 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.7 -16,-2.4 -2,-0.3 2,-0.5 -0.889 42.9-149.9 -87.8 132.6 7.0 2.3 0.3 80 92 A I E -B 62 0A 5 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.901 9.2-161.6-113.1 130.4 7.4 -0.3 3.0 81 93 A Y E -BC 61 86A 17 -20,-2.6 -20,-2.3 -2,-0.5 2,-0.5 -0.921 8.0-162.2-112.9 139.3 4.5 -2.4 4.3 82 94 A A E > S-BC 60 85A 6 3,-2.9 3,-1.9 -2,-0.4 -22,-0.2 -0.977 84.6 -24.9-120.4 106.8 4.3 -4.4 7.6 83 95 A D T 3 S- 0 0 60 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.906 130.0 -47.2 49.9 46.5 1.5 -7.0 7.4 84 96 A G T 3 S+ 0 0 49 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.311 115.7 114.6 86.8 -8.6 -0.3 -4.8 4.8 85 97 A K E < -C 82 0A 152 -3,-1.9 -3,-2.9 4,-0.0 2,-0.4 -0.843 68.0-124.2 -99.8 129.9 0.1 -1.5 6.7 86 98 A M E > -C 81 0A 9 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.515 13.1-158.1 -77.5 120.0 2.3 1.1 5.1 87 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.5 -2,-0.4 5,-0.3 0.906 91.6 56.9 -59.1 -45.9 5.0 2.3 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.924 111.0 42.8 -50.0 -54.4 5.5 5.5 5.6 89 101 A E H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.896 111.4 54.9 -61.2 -43.6 1.8 6.4 6.1 90 102 A A H X S+ 0 0 23 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.902 106.6 50.3 -62.0 -41.2 1.8 5.3 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 6,-0.8 0.941 112.8 47.0 -60.0 -46.6 4.7 7.5 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.940 110.3 52.6 -63.5 -42.8 3.0 10.5 9.2 93 105 A R H 3<5S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 109.0 50.5 -65.9 -27.2 -0.3 9.7 10.8 94 106 A Q T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.356 114.8-114.4 -89.5 4.4 1.4 9.5 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.4 -4,-0.2 -3,-0.2 0.796 86.9 116.5 65.7 29.3 3.1 12.9 13.8 96 108 A L S - 0 0 153 -2,-1.2 3,-1.9 3,-0.4 -3,-0.0 -0.787 36.6 -95.3-101.8 143.8 10.1 14.5 -6.3 104 116 A K T 3 S+ 0 0 185 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.178 107.4 18.7 -61.0 137.9 8.1 14.3 -9.5 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -38,-0.4 1,-0.1 -1,-0.2 0.437 115.9 67.6 78.2 -4.6 7.5 10.7 -10.7 106 118 A N S < S+ 0 0 12 -3,-1.9 -3,-0.4 -40,-0.2 -74,-0.1 -0.389 76.7 93.2-123.3 56.4 8.1 9.1 -7.4 107 119 A N > + 0 0 40 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.068 34.0 128.7-135.0 28.8 5.0 10.6 -5.8 108 120 A T T 3 S+ 0 0 70 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.897 82.1 39.2 -56.5 -43.1 2.2 8.1 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.174 82.6 113.2 -96.4 19.2 1.2 8.1 -2.5 110 122 A E H <> S+ 0 0 35 -3,-1.8 4,-3.0 1,-0.2 5,-0.2 0.944 78.1 44.2 -57.0 -49.5 1.6 11.8 -1.9 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.903 110.9 54.5 -68.7 -38.5 -2.0 12.7 -1.4 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.925 112.7 44.4 -53.7 -49.1 -2.6 9.7 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.881 109.8 54.1 -70.5 -36.2 0.3 10.8 3.1 114 126 A R H X S+ 0 0 93 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.898 106.0 53.9 -66.1 -30.3 -0.7 14.5 3.1 115 127 A K H X S+ 0 0 150 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.936 108.9 48.4 -66.4 -39.3 -4.1 13.5 4.3 116 128 A A H X S+ 0 0 6 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.880 110.3 52.2 -66.5 -40.7 -2.5 11.5 7.2 117 129 A E H X S+ 0 0 26 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.925 106.3 53.6 -62.9 -42.0 -0.3 14.6 8.0 118 130 A A H X S+ 0 0 47 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.936 110.9 45.6 -61.3 -40.8 -3.4 16.8 8.2 119 131 A Q H X S+ 0 0 59 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.932 112.3 50.7 -71.4 -41.0 -5.0 14.5 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.883 112.6 48.1 -56.1 -40.7 -1.8 14.2 12.8 121 133 A K H ><5S+ 0 0 95 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.912 109.2 50.8 -70.6 -41.2 -1.6 18.0 12.8 122 134 A K H 3<5S+ 0 0 139 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.876 111.7 49.4 -62.5 -38.3 -5.2 18.5 13.7 123 135 A E T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.522 108.5-129.2 -76.7 -4.6 -4.7 16.0 16.6 124 136 A K T < 5 + 0 0 138 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.866 43.5 179.2 55.0 43.6 -1.5 17.9 17.7 125 137 A L > < - 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