==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-MAY-08 3D4D . 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) . 13855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 69.4 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 . 66 25.6 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 . 1 0.4 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 21.7 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 0 2 2 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 2 0 4 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 0 0 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 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 77 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0-173.7 8.1 -8.2 20.0 2 8 A H - 0 0 111 62,-0.4 62,-0.5 63,-0.0 2,-0.1 -0.981 360.0-128.9-139.0 130.8 9.0 -6.9 23.5 3 9 A K - 0 0 83 -2,-0.4 60,-0.2 60,-0.1 77,-0.1 -0.462 27.3-165.0 -72.3 140.8 10.0 -3.5 24.8 4 10 A E E -A 62 0A 31 58,-2.7 58,-3.4 -2,-0.1 2,-0.0 -0.944 21.9-103.0-128.9 146.1 13.2 -3.4 26.9 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.334 41.2 163.2 -67.7 150.6 14.5 -0.7 29.3 6 12 A A E -A 60 0A 9 54,-1.9 54,-0.6 15,-0.1 2,-0.4 -0.939 26.1-138.3-157.0 155.2 17.4 1.6 28.3 7 13 A T E -B 20 0A 95 13,-2.0 13,-4.0 -2,-0.3 2,-0.2 -0.927 28.6-110.0-114.9 140.9 18.7 4.9 29.7 8 14 A L E +B 19 0A 48 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.503 33.4 171.6 -68.2 132.0 19.9 7.9 27.5 9 15 A I E - 0 0 71 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.786 69.7 -30.6 -98.4 -56.0 23.6 8.6 27.5 10 16 A K E -B 18 0A 145 8,-2.2 8,-2.8 0, 0.0 -1,-0.3 -0.950 54.1-114.7-162.2 143.2 23.5 11.1 24.7 11 17 A A E +B 17 0A 22 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.441 29.8 178.0 -64.2 148.2 21.6 12.1 21.6 12 18 A I E - 0 0 82 4,-1.2 2,-0.3 1,-0.5 5,-0.2 0.705 51.7 -45.2-125.4 -54.0 23.7 11.9 18.4 13 19 A D E > S-B 16 0A 18 3,-1.9 3,-0.6 34,-0.1 -1,-0.5 -0.910 77.8 -57.3-159.7-163.5 21.7 12.8 15.3 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 -2,-0.3 23,-0.1 0.749 131.2 17.7 -53.4 -35.5 18.3 12.1 13.8 15 21 A D T 3 S+ 0 0 3 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.241 114.4 71.8-127.8 12.2 18.6 8.3 13.6 16 22 A T E < +BC 13 29A 11 -3,-0.6 -3,-1.9 13,-0.2 -4,-1.2 -0.997 50.7 170.8-127.9 137.6 21.4 7.4 16.0 17 23 A V E -BC 11 28A 1 11,-2.5 11,-3.6 -2,-0.4 2,-0.6 -0.998 28.2-133.8-140.5 141.4 21.3 7.6 19.8 18 24 A K E +BC 10 27A 69 -8,-2.8 -9,-2.7 -2,-0.3 -8,-2.2 -0.887 37.2 168.9 -99.6 119.1 23.7 6.4 22.5 19 25 A L E -BC 8 26A 0 7,-2.8 7,-1.9 -2,-0.6 2,-0.7 -0.829 40.4-114.7-124.7 157.4 21.9 4.6 25.3 20 26 A M E +BC 7 25A 83 -13,-4.0 -13,-2.0 -2,-0.3 2,-0.4 -0.895 40.6 177.9 -92.3 114.5 22.8 2.4 28.3 21 27 A Y E > - C 0 24A 25 3,-2.5 3,-1.8 -2,-0.7 -15,-0.1 -0.979 67.1 -8.0-124.2 129.6 21.4 -1.0 27.6 22 28 A K T 3 S- 0 0 165 -2,-0.4 -1,-0.2 -17,-0.4 -16,-0.1 0.813 131.7 -57.1 51.2 34.0 21.8 -4.0 29.9 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.532 118.6 102.6 81.3 9.3 24.2 -1.7 31.9 24 30 A Q E < S-C 21 0A 130 -3,-1.8 -3,-2.5 2,-0.0 -1,-0.2 -0.939 76.4-105.2-126.0 142.8 26.5 -1.0 29.0 25 31 A P E +C 20 0A 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.447 46.8 169.0 -61.9 139.4 27.1 2.0 26.6 26 32 A M E -C 19 0A 43 -7,-1.9 -7,-2.8 -2,-0.1 2,-0.4 -0.933 33.8-132.6-159.0 129.3 25.7 1.3 23.1 27 33 A T E -C 18 0A 30 -2,-0.3 49,-3.0 -9,-0.2 2,-0.5 -0.710 27.0-157.2 -77.9 126.5 25.0 3.3 19.9 28 34 A F E -Cd 17 76A 0 -11,-3.6 -11,-2.5 -2,-0.4 2,-0.5 -0.942 7.1-158.0-112.7 130.6 21.5 2.6 18.5 29 35 A R E -Cd 16 77A 21 47,-2.7 49,-1.2 -2,-0.5 -13,-0.2 -0.912 30.5-113.9-103.2 124.3 20.5 3.1 14.9 30 36 A L E > - d 0 78A 3 -15,-2.5 3,-0.7 -2,-0.5 49,-0.2 -0.364 32.9-118.6 -61.5 132.0 16.8 3.5 14.3 31 37 A L T 3 S+ 0 0 11 47,-1.9 49,-0.1 1,-0.2 -1,-0.1 -0.458 84.8 6.2 -68.2 141.8 15.2 0.7 12.3 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.6 1,-0.2 2,-0.3 0.435 108.2 92.9 73.4 7.2 13.5 1.3 9.0 33 39 A V E < -H 99 0B 0 -3,-0.7 2,-0.3 66,-0.3 66,-0.2 -0.823 51.5-158.0-129.9 165.3 14.4 5.0 8.6 34 40 A D E -H 98 0B 55 64,-1.5 64,-2.3 -2,-0.3 3,-0.1 -0.877 12.0-171.4-142.6 110.6 16.9 7.5 7.2 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.694 38.3 -96.0 -88.5 150.5 17.3 11.0 8.6 36 42 A P - 0 0 14 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.311 44.7-104.2 -54.8 149.0 19.5 13.5 6.7 37 43 A E > - 0 0 90 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.438 37.7-103.0 -68.2 156.3 23.0 13.8 8.1 38 50 A F T 3 S+ 0 0 127 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.847 122.3 55.5 -52.9 -38.1 23.6 16.9 10.2 39 51 A N T 3 S+ 0 0 141 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.432 101.8 77.9 -76.5 1.3 25.4 18.7 7.3 40 52 A E S X S- 0 0 98 -3,-2.4 3,-2.2 1,-0.1 2,-0.1 -0.609 98.7 -69.7-109.3 167.5 22.4 18.1 5.0 41 53 A K T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.377 122.3 7.2 -63.0 127.7 19.0 19.7 4.5 42 54 A Y T 3> S+ 0 0 34 -2,-0.1 4,-2.2 -4,-0.1 -1,-0.3 0.456 98.2 117.7 69.4 7.8 16.7 19.0 7.5 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.4 -6,-0.2 -29,-0.2 0.951 75.3 43.1 -61.0 -56.6 19.7 17.4 9.2 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.849 115.9 51.2 -57.7 -35.4 19.7 19.9 12.2 45 57 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.867 111.7 44.1 -73.2 -41.5 15.9 19.7 12.4 46 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.880 114.4 51.8 -67.2 -39.6 15.8 15.9 12.5 47 59 A S H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 112.7 44.4 -60.4 -49.2 18.7 15.9 15.0 48 60 A A H X S+ 0 0 37 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.869 110.4 55.1 -64.5 -40.1 17.0 18.4 17.3 49 61 A F H X S+ 0 0 32 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 112.9 41.7 -59.6 -50.0 13.6 16.5 17.0 50 62 A T H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.923 113.0 53.2 -62.6 -48.4 15.1 13.2 18.2 51 63 A K H X S+ 0 0 103 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.910 110.5 48.2 -52.9 -49.9 17.2 14.9 20.9 52 64 A K H X S+ 0 0 30 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.904 112.0 50.1 -52.9 -49.2 14.1 16.6 22.3 53 65 A M H X S+ 0 0 33 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.914 117.1 37.0 -62.0 -49.6 12.2 13.3 22.2 54 66 A V H < S+ 0 0 4 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.907 117.5 50.0 -73.1 -42.4 14.8 11.2 24.0 55 67 A E H < S+ 0 0 96 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.812 113.4 44.5 -66.7 -34.7 15.9 13.9 26.5 56 68 A N H < S+ 0 0 105 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.544 91.0 105.6 -89.7 -8.5 12.4 14.9 27.7 57 69 A A < - 0 0 18 -4,-0.6 3,-0.1 -3,-0.4 -3,-0.0 -0.518 55.8-159.9 -71.9 135.3 11.3 11.3 28.0 58 70 A K S S+ 0 0 182 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.787 85.4 38.1 -76.1 -33.6 11.0 10.0 31.6 59 71 A K - 0 0 110 -3,-0.0 24,-2.6 -52,-0.0 2,-0.5 -0.974 66.2-170.2-129.8 119.5 11.2 6.4 30.1 60 72 A I E +AE 6 82A 13 -54,-0.6 -54,-1.9 -2,-0.4 2,-0.3 -0.929 12.9 179.4-107.2 128.2 13.3 5.2 27.2 61 73 A E E -AE 5 81A 33 20,-2.3 20,-2.7 -2,-0.5 2,-0.3 -0.935 14.1-150.0-124.9 152.4 12.6 1.7 25.9 62 74 A V E -AE 4 80A 0 -58,-3.4 -58,-2.7 -2,-0.3 2,-0.4 -0.935 5.7-165.1-121.1 148.4 14.2 -0.3 23.1 63 75 A E E - E 0 79A 13 16,-2.1 16,-2.5 -2,-0.3 2,-0.2 -0.940 4.6-158.9-138.0 109.6 12.7 -2.9 20.9 64 76 A F E - E 0 78A 9 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.564 16.7-140.2 -79.7 152.0 14.6 -5.3 18.8 65 77 A D - 0 0 2 12,-0.5 41,-0.2 3,-0.3 -1,-0.1 -0.123 32.6 -87.4 -96.1-160.8 12.8 -7.0 15.8 66 78 A K S S+ 0 0 160 39,-1.3 40,-0.2 -2,-0.1 3,-0.1 0.510 104.8 59.8 -95.9 -6.1 13.1 -10.6 14.6 67 79 A G S S- 0 0 21 38,-0.4 38,-0.2 1,-0.3 -2,-0.1 -0.080 106.5 -17.4 -96.4-156.1 16.0 -10.1 12.2 68 80 A Q - 0 0 123 36,-0.3 -3,-0.3 1,-0.1 -1,-0.3 -0.114 48.7-162.0 -50.0 131.5 19.6 -8.8 12.9 69 81 A R S S+ 0 0 120 1,-0.2 8,-3.0 -3,-0.1 2,-0.4 0.679 72.2 36.0 -93.1 -20.7 20.2 -7.0 16.2 70 82 A T B S-F 76 0A 62 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.988 74.6-134.4-136.5 138.6 23.5 -5.3 15.5 71 83 A D > - 0 0 24 4,-2.9 3,-1.7 -2,-0.4 -2,-0.0 -0.217 39.4 -90.3 -85.3-177.7 24.8 -3.7 12.4 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.739 127.3 55.1 -62.5 -24.3 28.3 -4.0 10.8 73 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.227 122.5-103.7 -92.2 9.0 29.4 -0.9 12.9 74 86 A G S < S+ 0 0 44 -3,-1.7 2,-0.3 1,-0.3 -47,-0.2 0.530 73.8 147.7 79.0 8.5 28.4 -2.5 16.2 75 87 A R - 0 0 61 -49,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.577 52.0-117.8 -81.5 133.8 25.2 -0.3 16.3 76 88 A G E -dF 28 70A 0 -49,-3.0 -47,-2.7 -2,-0.3 2,-0.8 -0.540 21.1-142.5 -69.9 132.6 22.1 -1.7 17.9 77 89 A L E +d 29 0A 20 -8,-3.0 -12,-0.5 -2,-0.3 2,-0.3 -0.829 46.2 130.8-103.2 98.8 19.2 -2.0 15.4 78 90 A A E -dE 30 64A 0 -49,-1.2 -47,-1.9 -2,-0.8 2,-0.5 -0.896 62.1-109.0-142.0 161.0 16.0 -1.1 17.3 79 91 A E E - E 0 63A 2 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.5 -0.862 40.0-149.3 -82.2 131.7 12.8 0.8 17.6 80 92 A I E - E 0 62A 1 -2,-0.5 7,-3.1 -18,-0.2 8,-0.5 -0.936 10.1-161.8-107.4 132.9 13.3 3.4 20.4 81 93 A Y E -GE 86 61A 12 -20,-2.7 -20,-2.3 -2,-0.5 2,-0.5 -0.921 7.8-162.1-116.3 137.4 10.3 4.5 22.4 82 94 A A E > S-GE 85 60A 7 3,-2.9 3,-1.0 -2,-0.4 -22,-0.2 -0.916 83.1 -24.2-125.1 103.4 10.0 7.6 24.5 83 95 A D T 3 S- 0 0 54 -24,-2.6 -1,-0.1 -2,-0.5 -23,-0.1 0.889 131.2 -46.9 54.9 44.8 7.2 7.4 27.1 84 96 A G T 3 S+ 0 0 40 -25,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.304 115.0 119.2 86.6 -6.8 5.5 4.9 24.8 85 97 A K E < -G 82 0A 138 -3,-1.0 -3,-2.9 -32,-0.1 2,-0.4 -0.812 64.3-128.1 -99.9 124.3 6.0 6.9 21.6 86 98 A M E > -G 81 0A 13 -2,-0.5 4,-1.7 -5,-0.2 -5,-0.2 -0.585 11.0-158.9 -72.4 121.0 8.1 5.4 18.8 87 99 A V H > S+ 0 0 2 -7,-3.1 4,-2.0 -2,-0.4 5,-0.2 0.788 90.5 60.3 -65.7 -32.6 10.8 7.8 17.7 88 100 A N H > S+ 0 0 1 -8,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.942 110.3 38.7 -63.0 -49.3 11.1 6.0 14.3 89 101 A E H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.861 111.5 60.8 -69.0 -37.3 7.4 6.7 13.4 90 102 A A H X S+ 0 0 21 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.911 105.6 45.6 -57.1 -49.1 7.5 10.2 14.9 91 103 A L H <>S+ 0 0 0 -4,-2.0 5,-3.2 1,-0.2 6,-0.9 0.907 114.5 47.7 -60.9 -47.3 10.3 11.4 12.5 92 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.4 4,-0.2 -2,-0.2 0.904 108.4 54.4 -60.7 -44.1 8.7 9.9 9.4 93 105 A R H 3<5S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 111.9 44.3 -66.0 -26.7 5.3 11.4 10.3 94 106 A Q T 3<5S- 0 0 62 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.284 118.1-114.3 -97.1 3.9 6.8 14.9 10.5 95 107 A G T < 5S+ 0 0 0 -3,-1.4 32,-1.9 2,-0.2 -3,-0.2 0.808 85.5 117.5 68.5 32.1 8.8 14.3 7.3 96 108 A L S - 0 0 151 -2,-0.9 3,-0.6 3,-0.2 -36,-0.1 -0.846 38.4 -98.6-105.3 148.8 15.6 -5.9 5.6 104 116 A K T 3 S+ 0 0 195 -2,-0.3 2,-0.7 1,-0.2 -36,-0.3 -0.306 111.5 26.8 -53.9 144.3 13.8 -9.2 6.1 105 117 A G T 3 S+ 0 0 29 -38,-0.2 -39,-1.3 1,-0.1 -38,-0.4 -0.343 117.3 62.8 92.1 -52.1 13.4 -10.0 9.8 106 118 A N S < S+ 0 0 6 -2,-0.7 -3,-0.2 -3,-0.6 3,-0.1 -0.113 74.8 92.4 -98.9 33.8 13.4 -6.3 10.8 107 119 A N > + 0 0 70 1,-0.1 3,-1.1 -5,-0.1 4,-0.4 0.052 40.5 118.9-115.6 26.0 10.3 -5.1 8.9 108 120 A T T 3 S+ 0 0 71 -3,-0.3 3,-0.4 1,-0.3 4,-0.2 0.951 88.0 31.7 -56.7 -50.9 7.6 -5.5 11.6 109 121 A H T 3> S+ 0 0 42 1,-0.2 4,-2.4 -3,-0.1 -1,-0.3 0.215 87.9 110.4 -97.4 17.6 6.6 -1.9 11.7 110 122 A E H <> S+ 0 0 32 -3,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.895 81.3 44.2 -54.5 -50.7 7.4 -1.2 8.0 111 123 A Q H > S+ 0 0 136 -4,-0.4 4,-2.4 -3,-0.4 -1,-0.2 0.869 111.9 54.4 -66.9 -36.5 3.8 -0.7 6.9 112 124 A L H > S+ 0 0 69 -4,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.915 111.6 44.8 -59.5 -44.7 3.2 1.5 10.0 113 125 A L H X S+ 0 0 2 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.846 110.0 54.4 -67.2 -39.0 6.1 3.7 9.0 114 126 A R H X S+ 0 0 91 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.918 105.4 54.1 -63.2 -43.8 5.0 3.8 5.4 115 127 A K H X S+ 0 0 129 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.961 108.8 48.3 -51.3 -54.1 1.5 5.1 6.5 116 128 A A H X S+ 0 0 1 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.814 109.5 54.8 -57.2 -32.2 3.2 7.9 8.5 117 129 A E H X S+ 0 0 20 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.935 105.7 49.2 -69.7 -49.1 5.3 8.7 5.4 118 130 A A H X S+ 0 0 37 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.937 111.6 51.8 -52.2 -47.8 2.3 9.1 3.0 119 131 A Q H X S+ 0 0 72 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.889 111.1 45.3 -60.5 -43.0 0.7 11.4 5.6 120 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 -1,-0.2 0.865 113.7 52.2 -63.1 -37.5 3.8 13.6 5.9 121 133 A K H ><5S+ 0 0 67 -4,-2.5 3,-1.5 3,-0.2 -2,-0.2 0.939 108.9 47.4 -67.8 -47.2 4.0 13.6 2.1 122 134 A K H 3<5S+ 0 0 138 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.897 114.3 47.6 -59.0 -41.3 0.4 14.7 1.6 123 135 A E T 3<5S- 0 0 93 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.419 109.8-131.2 -79.4 1.7 0.9 17.5 4.2 124 136 A K T < 5 - 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