==== 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 07-APR-10 3MHB . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7403.0 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 . 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 . 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 73 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 158.3 2.4 -0.9 -8.1 2 8 A H - 0 0 151 62,-0.4 62,-0.6 63,-0.1 2,-0.4 -0.978 360.0-132.8-129.6 136.0 3.3 -4.4 -6.9 3 9 A K E -A 63 0A 95 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.675 27.5-171.3 -86.8 134.7 4.2 -5.8 -3.5 4 10 A E E -A 62 0A 47 58,-2.5 58,-2.6 -2,-0.4 2,-0.0 -0.906 25.6 -98.2-123.5 150.9 7.2 -8.0 -3.5 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.371 44.1 157.2 -72.0 150.9 8.6 -10.2 -0.7 6 12 A A E -AB 60 21A 11 54,-1.5 54,-0.7 15,-0.1 2,-0.4 -0.936 27.4-137.0-156.5 162.0 11.5 -9.3 1.6 7 13 A T E - B 0 20A 83 13,-1.6 13,-3.1 -2,-0.3 2,-0.3 -0.957 29.2-105.6-123.3 149.1 12.7 -10.4 5.1 8 14 A L E + B 0 19A 52 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.530 34.7 170.6 -68.7 133.4 13.9 -8.2 7.9 9 15 A I E - 0 0 76 9,-2.9 2,-0.3 -2,-0.3 10,-0.2 0.736 68.9 -25.2-100.1 -52.6 17.7 -8.3 8.5 10 16 A K E - B 0 18A 143 8,-2.2 8,-3.0 44,-0.0 -1,-0.3 -0.932 53.4-117.4-165.5 138.3 17.7 -5.4 11.0 11 17 A A E + B 0 17A 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.366 32.2 173.4 -63.8 141.0 15.9 -2.2 12.1 12 18 A I - 0 0 86 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.563 51.7 -44.9-115.1 -67.9 18.1 0.9 11.7 13 19 A D S S- 0 0 22 3,-2.1 -1,-0.5 33,-0.1 3,-0.4 -0.765 76.0 -58.9-149.4-163.5 16.1 4.0 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 -2,-0.2 23,-0.1 0.813 130.2 18.1 -55.3 -37.4 12.8 5.7 11.7 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.7 20,-0.1 2,-0.3 0.269 115.7 66.3-126.7 12.3 13.0 5.7 8.0 16 22 A T E + C 0 29A 12 -3,-0.4 -3,-2.1 13,-0.2 -4,-1.1 -0.993 51.0 169.9-133.4 146.6 15.7 3.2 7.1 17 23 A V E -BC 11 28A 2 11,-1.8 11,-3.3 -2,-0.3 2,-0.6 -0.992 31.3-125.6-150.7 145.7 15.7 -0.6 7.5 18 24 A K E +BC 10 27A 83 -8,-3.0 -9,-2.9 -2,-0.3 -8,-2.2 -0.858 39.1 171.9-101.5 122.0 18.0 -3.4 6.3 19 25 A L E -BC 8 26A 0 7,-2.6 7,-2.2 -2,-0.6 2,-0.6 -0.934 38.5-119.6-126.9 155.3 16.1 -6.1 4.4 20 26 A M E +BC 7 25A 61 -13,-3.1 -13,-1.6 -2,-0.3 2,-0.4 -0.881 38.8 177.2 -90.4 117.0 16.8 -9.1 2.4 21 27 A Y E > -BC 6 24A 12 3,-2.5 3,-2.0 -2,-0.6 -15,-0.1 -0.989 68.7 -8.7-130.7 128.9 15.3 -8.5 -1.2 22 28 A K T 3 S- 0 0 147 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.851 132.0 -57.0 48.3 32.7 15.7 -11.0 -4.1 23 29 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.516 117.1 106.4 86.6 9.4 18.2 -12.8 -1.8 24 30 A Q E < S-C 21 0A 123 -3,-2.0 -3,-2.5 -5,-0.0 2,-0.2 -0.924 72.4-114.7-127.2 138.7 20.5 -9.8 -1.2 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.510 44.6 167.9 -66.1 136.6 21.0 -7.6 1.9 26 32 A M E -C 19 0A 48 -7,-2.2 -7,-2.6 -2,-0.2 2,-0.5 -0.992 36.3-128.8-148.8 145.4 20.0 -4.0 1.1 27 33 A T E -C 18 0A 46 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.836 30.3-156.4 -92.7 128.2 19.3 -0.9 3.2 28 34 A F E -Cd 17 76A 0 -11,-3.3 -11,-1.8 -2,-0.5 2,-0.5 -0.876 7.0-155.6-105.6 134.4 15.9 0.6 2.2 29 35 A R E -Cd 16 77A 23 47,-3.4 49,-1.4 -2,-0.4 -13,-0.2 -0.962 29.4-113.9-103.7 134.0 15.0 4.2 2.7 30 36 A L E > - d 0 78A 4 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.404 33.6-117.1 -68.8 128.3 11.2 4.9 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 1,-0.2 -1,-0.1 -0.356 83.2 1.4 -61.6 142.2 9.8 6.8 0.2 32 38 A A T 3 S+ 0 0 4 69,-0.6 68,-1.5 1,-0.1 2,-0.3 0.562 108.7 90.2 65.7 17.8 8.2 10.2 0.6 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.909 53.0-155.3-137.7 166.4 8.8 10.6 4.4 34 40 A D E -H 98 0B 52 64,-1.8 64,-2.2 -2,-0.3 3,-0.0 -0.922 7.4-168.9-143.1 117.4 11.3 12.0 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.735 36.9 -97.8 -93.3 157.8 11.8 10.9 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.329 46.2-100.1 -68.3 151.9 14.0 12.9 12.7 37 43 A E > - 0 0 90 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.372 35.6-105.6 -66.0 157.1 17.5 11.5 13.2 38 50 A F T 3 S+ 0 0 136 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.853 122.5 56.4 -51.0 -38.7 18.0 9.4 16.3 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.527 101.7 75.7 -71.7 -10.0 20.0 12.4 17.8 40 52 A E S X S- 0 0 96 -3,-2.2 3,-2.0 1,-0.1 2,-0.1 -0.526 99.8 -71.3-103.5 168.9 16.9 14.7 17.3 41 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.407 121.4 7.9 -61.4 134.0 13.6 15.2 19.0 42 54 A Y T 3> S+ 0 0 42 -2,-0.1 4,-2.4 -4,-0.1 -1,-0.3 0.323 98.1 113.2 68.7 -2.3 11.2 12.3 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.8 -6,-0.3 -5,-0.2 0.944 76.7 46.9 -57.3 -50.9 14.1 10.4 16.6 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.910 113.7 48.7 -59.2 -39.4 14.2 7.8 19.3 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 111.2 49.4 -68.3 -40.9 10.4 7.4 19.1 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.929 111.3 49.8 -62.5 -46.7 10.4 7.1 15.4 47 59 A S H X S+ 0 0 16 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.936 112.6 47.4 -53.5 -46.3 13.2 4.5 15.5 48 60 A A H X S+ 0 0 39 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.903 109.9 53.0 -66.0 -35.5 11.3 2.5 18.1 49 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.935 112.5 42.2 -66.3 -50.1 8.1 2.7 16.1 50 62 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.888 113.5 54.0 -60.8 -42.1 9.5 1.4 12.9 51 63 A K H X S+ 0 0 95 -4,-2.4 4,-2.9 -5,-0.2 5,-0.3 0.921 110.0 46.5 -62.1 -46.7 11.5 -1.3 14.8 52 64 A K H X S+ 0 0 124 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.940 113.1 50.0 -61.7 -42.3 8.4 -2.6 16.5 53 65 A M H X S+ 0 0 34 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.904 117.8 36.9 -65.2 -42.8 6.5 -2.6 13.3 54 66 A V H < S+ 0 0 4 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.871 117.5 49.6 -79.9 -35.7 9.1 -4.5 11.2 55 67 A E H < S+ 0 0 91 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.829 113.3 46.8 -69.8 -33.7 10.3 -6.9 14.0 56 68 A N H < S+ 0 0 122 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.598 91.1 106.7 -82.7 -15.1 6.7 -7.9 14.9 57 69 A A < - 0 0 18 -4,-0.5 3,-0.2 -3,-0.3 -49,-0.1 -0.424 53.5-162.1 -71.7 138.6 5.6 -8.5 11.3 58 70 A K S S+ 0 0 200 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.760 85.9 32.4 -79.5 -28.6 5.1 -12.0 9.9 59 71 A K - 0 0 120 -52,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.967 67.6-169.3-136.0 114.8 5.3 -10.7 6.3 60 72 A I E -AE 6 82A 11 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.4 -0.857 13.1-172.9 -97.1 137.0 7.4 -7.8 5.2 61 73 A E E -AE 5 81A 30 20,-2.3 20,-3.0 -2,-0.4 2,-0.4 -0.984 15.2-147.3-129.8 152.5 6.9 -6.5 1.6 62 74 A V E -AE 4 80A 0 -58,-2.6 -58,-2.5 -2,-0.4 2,-0.5 -0.919 10.2-170.3-112.1 136.3 8.6 -4.0 -0.6 63 75 A E E -AE 3 79A 6 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.951 9.4-156.1-129.8 111.5 6.7 -1.9 -3.1 64 76 A F - 0 0 10 -62,-0.6 -62,-0.4 -2,-0.5 14,-0.1 -0.468 12.1-134.9 -80.7 153.7 8.7 0.1 -5.6 65 77 A D - 0 0 5 12,-0.4 41,-0.2 3,-0.3 -1,-0.1 -0.183 35.7 -88.4 -89.5-166.5 7.2 3.2 -7.2 66 78 A K S S+ 0 0 166 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.614 103.4 54.1 -83.8 -13.1 7.5 4.1 -11.0 67 79 A G S S- 0 0 31 38,-0.7 39,-0.1 1,-0.3 38,-0.1 0.175 104.4 -11.7-101.0-147.2 10.8 6.0 -10.7 68 80 A Q - 0 0 125 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.256 47.3-165.3 -61.2 137.6 14.3 5.5 -9.4 69 81 A R S S+ 0 0 126 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.549 74.0 41.2-102.8 -12.2 14.6 2.3 -7.2 70 82 A T B S-F 76 0A 69 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.990 76.6-138.6-133.6 140.1 18.0 3.1 -5.6 71 83 A D > - 0 0 23 4,-2.5 3,-2.2 -2,-0.3 -2,-0.0 -0.323 40.9 -87.7 -95.0-173.3 19.2 6.5 -4.4 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.624 128.6 54.3 -71.9 -10.0 22.6 8.1 -4.8 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.275 120.7-106.4 -98.8 3.5 23.8 6.2 -1.5 74 86 A G S < S+ 0 0 49 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.576 72.6 143.8 81.4 4.1 22.7 2.8 -2.9 75 87 A R - 0 0 67 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.644 54.7-115.6 -75.6 140.1 19.7 2.6 -0.6 76 88 A G E -dF 28 70A 0 -49,-2.6 -47,-3.4 -2,-0.3 2,-0.6 -0.520 24.0-143.9 -67.7 144.0 16.5 1.0 -2.0 77 89 A L E +d 29 0A 18 -8,-2.2 -12,-0.4 -49,-0.2 2,-0.3 -0.966 43.2 126.3-112.2 111.4 13.6 3.5 -2.3 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.970 63.2-100.9-154.0 168.8 10.3 1.8 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.868 43.6-148.1 -91.5 131.3 7.1 1.7 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.2 -18,-0.2 8,-0.6 -0.912 9.9-160.8-107.9 131.7 7.5 -0.9 3.1 81 93 A Y E -EG 61 86A 17 -20,-3.0 -20,-2.3 -2,-0.5 2,-0.5 -0.909 8.6-163.9-115.0 139.6 4.6 -3.0 4.4 82 94 A A E > S-EG 60 85A 5 3,-3.0 3,-1.9 -2,-0.4 -22,-0.2 -0.970 84.4 -24.4-119.6 111.2 4.4 -4.9 7.6 83 95 A D T 3 S- 0 0 76 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.892 129.9 -48.7 51.5 45.6 1.5 -7.5 7.6 84 96 A G T 3 S+ 0 0 48 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.322 115.5 114.0 82.0 -4.5 -0.2 -5.3 4.9 85 97 A K E < -G 82 0A 148 -3,-1.9 -3,-3.0 1,-0.0 2,-0.5 -0.827 68.7-122.2-104.7 129.5 0.2 -2.0 6.7 86 98 A M E > -G 81 0A 8 -2,-0.5 4,-2.5 -5,-0.3 -5,-0.3 -0.480 12.9-157.4 -72.6 122.4 2.4 0.6 5.2 87 99 A V H > S+ 0 0 1 -7,-3.2 4,-2.6 -2,-0.5 5,-0.3 0.926 92.7 56.8 -65.5 -43.0 5.2 1.7 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.929 112.2 41.5 -53.2 -49.2 5.6 5.0 5.7 89 101 A E H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.882 111.6 54.9 -65.9 -42.9 1.9 5.9 6.2 90 102 A A H X S+ 0 0 25 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.902 107.9 49.3 -60.0 -41.7 1.8 4.6 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 6,-0.8 0.934 113.1 47.1 -62.0 -48.3 4.8 6.9 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 -2,-0.2 0.925 110.7 53.5 -60.1 -45.9 3.1 10.0 9.2 93 105 A R H 3<5S+ 0 0 69 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.804 108.3 48.7 -62.7 -30.6 -0.2 9.1 10.9 94 106 A Q T 3<5S- 0 0 74 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.351 115.2-113.9 -86.5 7.0 1.4 9.0 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 2,-0.2 -3,-0.2 0.795 87.6 116.2 60.2 30.9 3.3 12.4 13.7 96 108 A L S - 0 0 153 -2,-1.2 3,-2.1 3,-0.4 -36,-0.1 -0.734 34.0 -97.8 -95.6 141.0 10.1 13.5 -6.2 104 116 A K T 3 S+ 0 0 209 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.226 110.1 22.7 -51.4 136.8 8.1 13.4 -9.4 105 117 A G T 3 S+ 0 0 31 -38,-0.1 -38,-0.7 1,-0.1 -39,-0.5 0.342 116.0 65.1 83.6 -12.6 7.6 9.8 -10.6 106 118 A N S < S+ 0 0 12 -3,-2.1 -3,-0.4 -40,-0.2 -2,-0.1 -0.346 78.4 94.4-124.4 51.2 8.1 8.2 -7.1 107 119 A N > + 0 0 56 -5,-0.1 3,-2.1 1,-0.1 4,-0.4 0.173 34.4 123.8-130.9 25.3 5.0 9.9 -5.8 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.875 84.6 37.9 -53.3 -44.5 2.1 7.4 -6.2 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.196 83.9 112.7 -97.9 17.3 1.1 7.4 -2.5 110 122 A E H <> S+ 0 0 38 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 0.934 78.8 44.5 -55.0 -47.8 1.7 11.2 -2.0 111 123 A Q H > S+ 0 0 130 -3,-0.4 4,-2.1 -4,-0.4 -1,-0.2 0.905 111.2 53.7 -74.8 -29.7 -1.9 12.1 -1.4 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 112.9 46.1 -58.7 -45.3 -2.5 9.1 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.911 109.7 52.0 -67.1 -40.1 0.5 10.2 3.0 114 126 A R H X S+ 0 0 91 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.850 106.5 55.5 -65.7 -32.2 -0.6 13.9 3.0 115 127 A K H X S+ 0 0 148 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.942 108.1 48.0 -65.2 -39.2 -4.0 12.8 4.3 116 128 A A H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.868 109.8 52.2 -66.7 -42.0 -2.4 11.0 7.2 117 129 A E H X S+ 0 0 27 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.933 106.8 54.2 -61.1 -37.4 -0.2 14.0 8.0 118 130 A A H X S+ 0 0 58 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 110.2 45.5 -65.7 -42.3 -3.3 16.2 8.1 119 131 A Q H X S+ 0 0 78 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.933 112.9 50.3 -68.7 -42.6 -4.9 13.9 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 -1,-0.2 0.863 112.1 47.7 -55.4 -39.8 -1.8 13.7 12.7 121 133 A K H ><5S+ 0 0 103 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.892 109.2 53.1 -69.3 -40.7 -1.5 17.5 12.7 122 134 A K H 3<5S+ 0 0 171 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.7 46.9 -61.7 -36.3 -5.2 17.9 13.6 123 135 A E T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.437 108.6-128.9 -79.9 -3.0 -4.6 15.5 16.6 124 136 A K T < 5 + 0 0 145 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.872 43.5 179.6 51.1 44.4 -1.4 17.5 17.5 125 137 A L > < - 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