==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-JUN-09 3HZX . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.L.SCHLESSMAN,J.N.DE LUCA-WESTRATE,B.E.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7239.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 84 65.1 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 . 4 3.1 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 . 4 3.1 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 . 2 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 61 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 148.6 2.5 -0.7 -8.4 2 8 A H - 0 0 152 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.984 360.0-130.1-131.5 136.5 3.3 -4.2 -7.0 3 9 A K - 0 0 95 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.615 28.2-169.9 -79.8 136.0 4.1 -5.5 -3.6 4 10 A E E -A 62 0A 41 58,-2.3 58,-3.4 -2,-0.3 2,-0.0 -0.959 23.4-106.1-127.2 148.6 7.3 -7.8 -3.5 5 11 A P E +A 61 0A 102 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.299 43.4 154.4 -72.1 157.8 8.5 -10.0 -0.6 6 12 A A E -A 60 0A 11 54,-1.5 54,-0.6 15,-0.1 2,-0.4 -0.936 30.5-129.1-164.1 167.0 11.5 -9.2 1.5 7 13 A T E -D 20 0B 84 13,-1.8 13,-2.8 -2,-0.3 2,-0.2 -0.979 26.8-104.8-128.5 146.0 12.6 -10.1 5.0 8 14 A L E +D 19 0B 50 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.452 35.1 170.2 -59.3 126.0 13.8 -7.9 7.9 9 15 A I E S- 0 0 66 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.778 70.3 -24.4 -94.6 -50.5 17.5 -8.1 8.5 10 16 A K E -D 18 0B 116 8,-2.2 8,-3.1 0, 0.0 -1,-0.3 -0.926 56.6-119.9-163.2 134.5 17.7 -5.2 11.0 11 17 A A E +D 17 0B 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.403 31.1 176.7 -61.6 145.6 15.7 -2.2 12.0 12 18 A I - 0 0 79 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.631 48.9 -50.5-121.0 -66.0 17.9 0.9 11.6 13 19 A D S S- 0 0 22 3,-2.2 -1,-0.5 33,-0.1 3,-0.1 -0.806 75.9 -51.2-153.9-154.9 15.9 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 0.827 130.3 11.6 -58.4 -38.8 12.7 5.9 11.7 15 21 A D S S+ 0 0 5 21,-0.1 15,-2.6 20,-0.1 2,-0.3 0.319 117.5 68.9-135.6 12.8 12.9 5.8 7.9 16 22 A T E + E 0 29B 12 13,-0.2 -3,-2.2 -3,-0.1 -4,-1.1 -0.974 51.6 168.7-126.4 151.9 15.7 3.4 7.0 17 23 A V E -DE 11 28B 0 11,-1.7 11,-3.0 -2,-0.3 2,-0.6 -0.995 33.8-122.4-154.8 147.2 15.8 -0.4 7.5 18 24 A K E +DE 10 27B 71 -8,-3.1 -9,-2.8 -2,-0.3 -8,-2.2 -0.879 42.4 168.4 -96.9 119.0 18.1 -3.2 6.4 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.0 -2,-0.6 2,-0.6 -0.893 38.5-121.7-124.5 157.2 16.1 -5.8 4.4 20 26 A M E +DE 7 25B 81 -13,-2.8 -13,-1.8 -2,-0.3 2,-0.4 -0.928 36.5 178.0 -98.4 122.0 16.9 -8.8 2.3 21 27 A Y E > - E 0 24B 21 3,-2.8 3,-2.0 -2,-0.6 -15,-0.1 -0.975 68.3 -8.4-130.8 128.1 15.3 -8.2 -1.2 22 28 A K T 3 S- 0 0 156 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.875 132.3 -55.6 46.7 39.4 15.7 -10.7 -4.0 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.535 117.8 105.9 80.2 7.8 18.2 -12.6 -1.8 24 30 A Q E < S-E 21 0B 125 -3,-2.0 -3,-2.8 2,-0.0 -1,-0.2 -0.953 72.3-116.7-126.7 135.8 20.5 -9.6 -1.2 25 31 A P E +E 20 0B 74 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.451 44.4 166.0 -65.7 140.9 21.0 -7.3 1.8 26 32 A M E -E 19 0B 47 -7,-2.0 -7,-2.8 -2,-0.1 2,-0.5 -0.941 36.4-127.2-162.2 131.1 20.0 -3.8 1.1 27 33 A T E -E 18 0B 48 -2,-0.3 49,-2.6 -9,-0.2 2,-0.4 -0.760 29.9-155.8 -80.4 128.2 19.3 -0.6 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.0 -11,-1.7 -2,-0.5 2,-0.5 -0.906 9.3-155.1-106.5 138.2 16.0 0.9 2.2 29 35 A R E -Ef 16 77B 24 47,-3.4 49,-1.3 -2,-0.4 2,-0.2 -0.954 29.8-118.3-108.2 125.5 14.9 4.5 2.6 30 36 A L E > - f 0 78B 1 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.474 31.4-117.8 -64.9 132.1 11.1 5.0 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 -2,-0.2 71,-0.1 -0.339 84.9 8.5 -69.6 146.9 9.6 7.1 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.7 74,-0.2 2,-0.3 0.444 107.0 95.1 73.0 7.4 7.8 10.4 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.885 49.3-163.6-130.0 161.5 8.8 10.7 4.5 34 40 A D E -H 98 0C 57 64,-1.8 64,-2.2 -2,-0.3 3,-0.1 -0.878 11.1-170.7-141.5 111.7 11.2 12.3 6.9 35 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.596 38.2 -95.2 -86.6 156.6 11.5 11.1 10.5 36 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 11,-0.1 -0.397 48.6 -96.8 -65.2 154.0 13.7 13.0 13.0 37 43 A E > - 0 0 85 1,-0.1 3,-2.6 -24,-0.1 6,-0.3 -0.336 38.6-103.5 -68.2 156.2 17.3 11.8 13.5 38 50 A F T 3 S+ 0 0 136 1,-0.3 -1,-0.1 5,-0.2 5,-0.1 0.834 124.3 48.7 -50.7 -37.7 17.8 9.4 16.5 39 51 A N T 3 S+ 0 0 139 4,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.480 101.7 83.1 -84.5 -2.2 19.5 12.2 18.4 40 52 A E S X S- 0 0 99 -3,-2.6 3,-2.1 1,-0.1 2,-0.0 -0.557 98.2 -72.5 -96.9 166.4 16.6 14.7 17.6 41 53 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.319 122.0 7.0 -58.7 130.4 13.3 15.2 19.3 42 54 A Y T 3> S+ 0 0 48 -4,-0.1 4,-2.9 -7,-0.1 -1,-0.3 0.376 100.1 114.1 70.7 -0.6 10.9 12.3 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.2 -6,-0.3 -29,-0.2 0.914 76.5 44.2 -67.7 -43.6 13.8 10.6 16.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.923 113.4 52.2 -70.5 -32.9 14.0 7.8 19.3 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.924 110.0 48.6 -62.1 -44.6 10.2 7.4 19.2 46 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.954 112.1 48.8 -55.7 -52.4 10.2 7.2 15.4 47 59 A S H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.886 113.2 47.6 -55.0 -39.6 13.0 4.6 15.5 48 60 A A H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.877 109.8 52.0 -75.6 -37.4 11.1 2.6 18.1 49 61 A F H X S+ 0 0 54 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.940 113.8 43.1 -64.5 -44.6 7.8 2.7 16.2 50 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.892 112.4 53.8 -69.6 -39.9 9.4 1.4 12.9 51 63 A K H X S+ 0 0 97 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.936 113.5 41.3 -59.8 -48.2 11.4 -1.2 14.8 52 64 A K H X S+ 0 0 142 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.933 111.7 55.7 -68.8 -40.8 8.3 -2.7 16.5 53 65 A M H < S+ 0 0 29 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.905 118.3 33.8 -62.1 -37.8 6.1 -2.5 13.4 54 66 A K H < S+ 0 0 2 -4,-2.1 3,-0.4 2,-0.2 -1,-0.2 0.847 115.7 53.6 -84.0 -39.5 8.6 -4.5 11.3 55 67 A E H < S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.780 112.2 47.1 -69.9 -21.7 9.9 -6.9 14.0 56 68 A N S < S+ 0 0 110 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.619 90.6 104.8 -91.9 -13.9 6.3 -7.9 14.8 57 69 A A - 0 0 19 -3,-0.4 3,-0.2 -4,-0.4 -3,-0.0 -0.401 55.0-160.4 -71.1 141.9 5.3 -8.4 11.2 58 70 A K S S+ 0 0 179 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.733 85.3 35.1 -86.1 -17.6 5.0 -11.9 10.0 59 71 A K - 0 0 100 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.962 65.4-169.3-144.3 118.8 5.2 -10.5 6.4 60 72 A I E -AB 6 82A 13 -54,-0.6 -54,-1.5 -2,-0.4 2,-0.3 -0.896 11.6-172.4-102.5 135.6 7.3 -7.6 5.1 61 73 A E E -AB 5 81A 27 20,-1.9 20,-2.4 -2,-0.4 2,-0.4 -0.954 14.5-146.1-129.6 145.7 6.8 -6.3 1.5 62 74 A V E -AB 4 80A 0 -58,-3.4 -58,-2.3 -2,-0.3 2,-0.4 -0.912 12.3-170.4-107.6 134.0 8.6 -3.8 -0.7 63 75 A E E - B 0 79A 13 16,-2.1 16,-2.6 -2,-0.4 -60,-0.2 -0.907 6.6-158.9-129.4 105.2 6.7 -1.6 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.411 13.2-135.9 -75.6 153.2 8.7 0.5 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.199 37.0 -84.1 -92.3-162.9 7.1 3.5 -7.3 66 78 A K S S+ 0 0 163 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.702 105.9 40.9 -80.0 -23.9 7.3 4.4 -11.0 67 79 A G S S+ 0 0 34 38,-1.0 39,-0.1 1,-0.3 38,-0.1 0.311 105.9 3.0-102.2-136.9 10.7 6.2 -10.9 68 80 A Q - 0 0 140 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.287 44.9-173.1 -60.3 130.8 14.1 5.8 -9.2 69 81 A R S S+ 0 0 123 1,-0.2 8,-2.7 -3,-0.1 2,-0.4 0.540 73.1 44.2 -98.2 -12.8 14.4 2.6 -7.2 70 82 A T B S-G 76 0B 67 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.992 74.7-144.0-135.0 132.8 17.8 3.5 -5.8 71 83 A D > - 0 0 28 4,-2.9 3,-2.2 -2,-0.4 -2,-0.0 -0.328 40.6 -86.4 -89.2-177.4 19.0 6.8 -4.3 72 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.660 127.7 53.9 -67.8 -17.7 22.5 8.4 -4.6 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.232 122.0-104.3 -92.4 8.5 23.7 6.5 -1.5 74 86 A G S < S+ 0 0 44 -3,-2.2 2,-0.3 1,-0.3 -47,-0.2 0.586 73.2 146.7 80.6 5.3 22.7 3.2 -3.0 75 87 A R - 0 0 65 -49,-0.1 -4,-2.9 -47,-0.1 -1,-0.3 -0.616 52.4-117.8 -77.7 134.0 19.6 3.0 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.4 -2,-0.3 2,-0.6 -0.467 24.6-143.2 -61.9 139.8 16.5 1.3 -2.1 77 89 A L E +f 29 0B 26 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.952 41.6 127.0-114.9 117.4 13.5 3.6 -2.3 78 90 A A E -f 30 0B 0 -49,-1.3 -47,-2.1 -2,-0.6 2,-0.5 -0.970 62.2-101.1-157.7 163.3 10.2 2.1 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.5 -0.840 44.2-151.7 -86.2 127.7 6.9 1.9 0.3 80 92 A I E -B 62 0A 0 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.914 9.0-162.3-113.9 133.3 7.4 -0.7 3.0 81 93 A Y E -BC 61 86A 18 -20,-2.4 -20,-1.9 -2,-0.5 2,-0.5 -0.895 9.7-160.6-116.2 143.9 4.5 -2.8 4.3 82 94 A A E > S-BC 60 85A 8 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.987 85.9 -21.0-125.1 110.9 4.2 -4.8 7.6 83 95 A D T 3 S- 0 0 81 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.917 130.6 -49.2 49.7 50.7 1.4 -7.4 7.4 84 96 A G T 3 S+ 0 0 42 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.422 115.8 115.4 78.2 -3.6 -0.2 -5.4 4.7 85 97 A K E < -C 82 0A 114 -3,-1.8 -3,-3.0 4,-0.0 2,-0.4 -0.875 68.8-120.5-104.7 132.1 0.0 -2.1 6.5 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.526 14.3-160.0 -76.9 120.4 2.2 0.7 5.1 87 99 A V H > S+ 0 0 0 -7,-3.3 4,-2.7 -2,-0.4 5,-0.2 0.887 91.0 57.0 -62.5 -40.9 5.0 1.8 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.919 111.7 41.5 -57.4 -46.1 5.4 5.1 5.6 89 101 A E H > S+ 0 0 62 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.890 112.1 54.8 -67.8 -44.1 1.7 6.1 6.1 90 102 A A H X S+ 0 0 5 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.919 106.8 51.3 -60.1 -40.7 1.7 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 2,-0.2 6,-0.7 0.953 114.5 42.8 -57.6 -47.2 4.7 7.0 10.6 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.931 110.4 55.5 -68.0 -42.7 3.0 10.1 9.1 93 105 A R H 3<5S+ 0 0 62 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 109.4 48.5 -63.6 -27.8 -0.4 9.2 10.7 94 106 A Q T 3<5S- 0 0 72 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.385 115.5-113.8 -92.2 3.2 1.2 9.1 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.3 2,-0.2 -3,-0.2 0.794 86.3 117.8 69.7 25.7 3.0 12.4 13.7 96 108 A L S -I 106 0D 153 -2,-1.0 3,-2.1 3,-0.5 -3,-0.0 -0.834 35.6 -92.8-105.0 143.7 10.0 13.9 -6.3 104 116 A K T 3 S+ 0 0 212 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.191 110.1 17.0 -50.5 135.1 8.2 13.8 -9.6 105 117 A G T 3 S+ 0 0 34 -38,-0.1 -38,-1.0 1,-0.1 -39,-0.3 0.415 115.6 69.7 80.2 -5.1 7.5 10.2 -10.7 106 118 A N B < S+I 103 0D 11 -3,-2.1 -3,-0.5 -40,-0.2 -74,-0.2 -0.462 75.6 91.3-127.0 58.5 8.1 8.7 -7.2 107 119 A N > + 0 0 58 -5,-0.1 3,-1.7 -76,-0.1 4,-0.3 0.118 33.8 128.6-140.8 27.4 5.0 10.1 -5.7 108 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.895 83.9 38.8 -53.4 -44.5 2.1 7.7 -6.1 109 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.220 83.0 111.9 -98.1 22.2 1.1 7.7 -2.4 110 122 A E H <> S+ 0 0 37 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 0.948 79.3 44.5 -58.8 -49.3 1.7 11.4 -1.9 111 123 A Q H > S+ 0 0 128 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.887 110.7 53.3 -70.0 -37.4 -2.0 12.3 -1.4 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 114.3 44.6 -53.5 -49.2 -2.7 9.3 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.875 108.9 54.1 -68.2 -38.1 0.2 10.4 3.1 114 126 A R H X S+ 0 0 92 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.878 107.9 52.2 -64.4 -30.9 -0.7 14.1 3.0 115 127 A K H X S+ 0 0 129 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.942 109.1 49.7 -72.6 -35.7 -4.2 13.1 4.3 116 128 A A H X S+ 0 0 1 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.895 111.0 49.5 -63.2 -42.5 -2.5 11.1 7.2 117 129 A E H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.936 107.3 54.6 -66.7 -42.9 -0.3 14.2 8.0 118 130 A A H X S+ 0 0 38 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 111.6 44.4 -51.5 -47.7 -3.4 16.4 8.1 119 131 A Q H X S+ 0 0 63 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.932 112.8 51.6 -67.3 -44.1 -5.1 14.1 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 1,-0.2 -2,-0.2 0.886 112.7 45.8 -55.3 -44.7 -1.9 13.8 12.7 121 133 A K H ><5S+ 0 0 95 -4,-2.9 3,-1.3 3,-0.2 -1,-0.2 0.903 109.3 54.2 -71.3 -37.6 -1.6 17.6 12.8 122 134 A K H 3<5S+ 0 0 150 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.941 112.2 45.1 -57.2 -48.1 -5.3 18.0 13.6 123 135 A E T 3<5S- 0 0 103 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.427 109.1-129.0 -74.5 0.5 -4.7 15.7 16.6 124 136 A K T < 5 - 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