==== 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 28-JUN-10 3NP8 . 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) . 7306.0 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 . 33 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 . 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 . 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 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 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 94 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.9 2.2 -0.6 -8.2 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.998 360.0-117.8-143.5 149.7 2.7 -4.0 -6.7 3 9 A K E -A 63 0A 92 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.631 27.3-167.2 -87.7 138.3 4.0 -5.5 -3.5 4 10 A E E -A 62 0A 26 58,-2.9 58,-2.8 -2,-0.3 2,-0.0 -0.940 26.1-101.1-123.3 152.7 7.1 -7.8 -3.5 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.287 42.0 164.6 -75.6 149.7 8.4 -10.0 -0.8 6 12 A A E -A 60 0A 10 54,-1.7 54,-0.6 15,-0.1 2,-0.4 -0.965 25.7-136.2-152.1 161.3 11.3 -9.1 1.5 7 13 A T E -D 20 0B 95 13,-1.9 13,-3.3 -2,-0.3 2,-0.2 -0.942 27.6-109.3-121.9 137.9 12.6 -10.4 4.7 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.469 35.6 168.5 -63.0 128.8 13.8 -8.3 7.7 9 15 A I E - 0 0 81 9,-2.6 2,-0.3 1,-0.3 10,-0.2 0.762 68.0 -25.4 -98.0 -50.7 17.6 -8.3 8.4 10 16 A K E -D 18 0B 130 8,-1.9 8,-3.1 0, 0.0 -1,-0.3 -0.963 54.3-117.6-164.9 135.0 17.7 -5.4 10.9 11 17 A A E +D 17 0B 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.510 32.3 174.8 -60.7 145.0 15.8 -2.3 12.0 12 18 A I E - 0 0 78 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.600 50.6 -43.7-118.8 -68.7 18.0 0.8 11.6 13 19 A D E > S-D 16 0B 24 3,-2.0 3,-0.5 33,-0.1 -1,-0.5 -0.784 75.6 -58.6-149.4-154.6 16.0 4.0 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 1,-0.3 23,-0.1 0.830 130.5 17.6 -66.1 -36.3 12.6 5.7 11.9 15 21 A D T 3 S+ 0 0 7 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.288 116.2 66.4-124.8 12.8 12.7 5.7 8.1 16 22 A T E < +DE 13 29B 11 -3,-0.5 -3,-2.0 13,-0.2 -4,-1.2 -0.996 50.4 172.9-133.7 147.8 15.4 3.1 7.1 17 23 A V E -DE 11 28B 1 11,-1.9 11,-3.3 -2,-0.4 2,-0.6 -0.997 31.3-124.5-148.2 144.9 15.5 -0.6 7.5 18 24 A K E +DE 10 27B 62 -8,-3.1 -9,-2.6 -2,-0.3 -8,-1.9 -0.833 40.8 172.6 -95.7 121.0 17.9 -3.4 6.2 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.6 -2,-0.6 2,-0.7 -0.938 37.3-122.3-129.1 148.1 15.9 -6.0 4.3 20 26 A M E -DE 7 25B 83 -13,-3.3 -13,-1.9 -2,-0.3 2,-0.4 -0.857 36.9-178.7 -86.1 119.3 16.7 -9.0 2.2 21 27 A Y E > - E 0 24B 18 3,-2.9 3,-2.0 -2,-0.7 -15,-0.1 -0.990 68.3 -11.5-129.2 127.7 15.2 -8.3 -1.3 22 28 A K T 3 S- 0 0 155 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.899 131.6 -57.3 44.3 40.5 15.5 -10.9 -4.1 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.517 117.4 106.4 77.5 8.6 18.0 -12.6 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-2.0 -3,-2.9 -5,-0.0 2,-0.3 -0.946 71.7-116.0-119.8 137.6 20.4 -9.6 -1.4 25 31 A P E +E 20 0B 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.544 44.4 164.3 -66.1 132.8 20.9 -7.4 1.6 26 32 A M E -E 19 0B 41 -7,-2.6 -7,-2.8 -2,-0.3 2,-0.5 -0.997 38.7-122.6-148.5 150.1 19.9 -3.8 1.1 27 33 A T E -E 18 0B 31 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.833 30.4-153.9 -86.6 125.2 19.1 -0.7 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-1.9 -2,-0.5 2,-0.5 -0.883 5.2-156.0-100.1 134.3 15.7 0.6 2.3 29 35 A R E -Ef 16 77B 21 47,-3.7 49,-1.5 -2,-0.4 2,-0.3 -0.950 28.3-116.7-107.0 127.1 14.7 4.3 2.7 30 36 A A E > - f 0 78B 1 -15,-2.7 3,-1.0 -2,-0.5 49,-0.2 -0.479 33.0-119.9 -67.7 119.8 11.0 4.9 3.1 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.3 -1,-0.1 -0.324 83.5 7.0 -57.3 146.4 9.5 6.9 0.3 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.475 108.1 91.2 68.3 13.4 7.8 10.3 0.9 33 39 A V E < -H 99 0C 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.897 52.1-158.2-131.5 166.4 8.7 10.6 4.6 34 40 A D E -H 98 0C 55 64,-1.9 64,-2.1 -2,-0.3 3,-0.0 -0.912 9.2-169.0-144.0 115.1 11.3 12.1 7.0 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.665 37.6 -97.3 -88.4 155.4 11.7 10.8 10.5 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.388 46.0-101.6 -61.2 150.9 13.9 12.8 12.9 37 43 A E > - 0 0 92 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.352 37.8-103.2 -67.8 156.3 17.5 11.4 13.2 38 50 A F T 3 S+ 0 0 137 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.829 122.9 56.6 -52.5 -33.6 18.0 9.3 16.4 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.502 99.2 79.3 -77.8 -3.6 19.9 12.3 18.0 40 52 A E S X S- 0 0 100 -3,-2.4 3,-2.3 1,-0.1 0, 0.0 -0.623 99.0 -76.2-104.2 163.3 16.9 14.6 17.5 41 53 A K T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.313 120.9 10.4 -58.0 135.2 13.6 15.1 19.4 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.3 1,-0.1 -1,-0.3 0.414 98.3 112.5 70.1 -3.0 11.2 12.2 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 -29,-0.2 0.926 75.9 46.5 -63.3 -48.8 14.0 10.4 16.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.870 114.0 49.6 -60.7 -35.4 14.3 7.6 19.4 45 57 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.859 110.1 50.2 -71.8 -40.2 10.5 7.2 19.3 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.935 112.3 47.6 -60.1 -44.2 10.5 7.1 15.5 47 59 A S H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.937 113.2 47.9 -63.9 -45.4 13.2 4.4 15.6 48 60 A A H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.857 110.2 53.3 -63.4 -38.1 11.3 2.4 18.2 49 61 A F H X S+ 0 0 61 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.956 113.2 40.5 -64.5 -53.1 8.0 2.7 16.3 50 62 A T H X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.879 112.9 56.5 -61.5 -42.0 9.4 1.3 13.0 51 63 A K H X S+ 0 0 101 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.922 109.6 44.7 -57.7 -45.5 11.5 -1.3 14.8 52 64 A K H X S+ 0 0 139 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.948 112.7 52.4 -66.7 -43.3 8.3 -2.7 16.5 53 65 A M H X S+ 0 0 34 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.952 117.4 35.2 -57.9 -50.3 6.4 -2.6 13.3 54 66 A V H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.829 118.0 51.0 -76.4 -31.3 8.9 -4.5 11.2 55 67 A E H < S+ 0 0 98 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.787 113.0 45.7 -78.2 -27.4 10.1 -6.9 13.9 56 68 A N H < S+ 0 0 115 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.647 89.8 108.2 -84.9 -21.0 6.6 -8.0 14.8 57 69 A A < - 0 0 20 -4,-0.9 3,-0.2 -5,-0.2 -3,-0.0 -0.354 54.0-160.8 -65.0 132.7 5.5 -8.5 11.2 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.794 87.5 31.6 -76.3 -26.1 4.9 -12.0 10.0 59 71 A K - 0 0 111 -52,-0.0 24,-2.8 2,-0.0 2,-0.4 -0.956 66.5-169.0-137.8 117.9 5.2 -10.6 6.5 60 72 A I E -AB 6 82A 11 -54,-0.6 -54,-1.7 -2,-0.4 2,-0.3 -0.879 13.4-179.3 -99.1 138.5 7.3 -7.7 5.1 61 73 A E E -AB 5 81A 30 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.962 14.8-150.6-130.6 153.6 6.7 -6.4 1.6 62 74 A V E -AB 4 80A 0 -58,-2.8 -58,-2.9 -2,-0.3 2,-0.5 -0.933 5.7-164.6-120.4 147.1 8.2 -3.6 -0.5 63 75 A E E -AB 3 79A 8 16,-2.1 16,-2.7 -2,-0.4 -60,-0.2 -0.953 10.2-150.7-132.4 113.6 6.5 -1.7 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.448 14.0-132.3 -80.6 157.9 8.5 0.4 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.188 35.0 -89.5 -90.9-162.4 7.1 3.5 -7.2 66 78 A K S S+ 0 0 171 39,-0.8 40,-0.2 -2,-0.1 3,-0.1 0.591 104.9 46.6 -87.8 -12.9 7.2 4.3 -10.9 67 79 A G S S- 0 0 32 38,-0.5 38,-0.1 1,-0.3 39,-0.1 0.216 106.0 -4.3-110.5-142.7 10.5 6.2 -10.8 68 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.286 45.1-168.5 -64.3 139.9 13.9 5.6 -9.3 69 81 A R S S+ 0 0 112 1,-0.2 8,-2.0 -3,-0.1 2,-0.4 0.518 73.3 44.6-103.6 -11.6 14.3 2.5 -7.2 70 82 A T B S-G 76 0B 69 6,-0.2 6,-0.2 -42,-0.1 -1,-0.2 -0.997 74.7-141.8-129.4 135.8 17.8 3.4 -5.7 71 83 A D > - 0 0 22 4,-2.6 3,-2.2 -2,-0.4 -2,-0.1 -0.261 41.1 -88.6 -86.3-178.8 18.9 6.7 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.553 128.2 57.2 -71.1 -7.0 22.4 8.2 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.316 120.8-106.8-100.4 4.0 23.5 6.4 -1.6 74 86 A G S < S+ 0 0 50 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.571 73.1 143.6 79.4 10.6 22.5 3.0 -3.0 75 87 A R - 0 0 71 -49,-0.1 -4,-2.6 1,-0.1 -1,-0.3 -0.676 55.0-115.5 -82.1 141.9 19.4 2.7 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.7 -2,-0.3 2,-0.6 -0.415 24.4-145.2 -69.1 143.6 16.2 1.1 -2.0 77 89 A L E +f 29 0B 20 -8,-2.0 -12,-0.5 -49,-0.2 2,-0.3 -0.965 42.4 128.3-114.7 112.0 13.4 3.6 -2.3 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.4 -2,-0.6 2,-0.5 -0.980 62.9-101.2-151.5 167.0 10.0 2.0 -1.5 79 91 A Y E -B 63 0A 0 -16,-2.7 -16,-2.1 -2,-0.3 2,-0.4 -0.817 44.9-148.7 -87.7 133.4 6.8 1.9 0.4 80 92 A I E -B 62 0A 3 -2,-0.5 7,-3.1 -18,-0.2 8,-0.7 -0.908 10.9-161.9-116.8 132.3 7.3 -0.7 3.1 81 93 A Y E -BC 61 86A 17 -20,-3.0 -20,-2.1 -2,-0.4 2,-0.5 -0.930 9.8-164.2-116.3 139.1 4.5 -2.9 4.5 82 94 A A E > S-BC 60 85A 5 3,-3.1 3,-2.1 -2,-0.4 -22,-0.2 -0.975 83.9 -25.4-125.1 112.5 4.3 -4.9 7.6 83 95 A D T 3 S- 0 0 80 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.889 129.5 -48.2 44.2 49.8 1.4 -7.4 7.6 84 96 A G T 3 S+ 0 0 49 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.334 115.6 111.3 84.9 -10.5 -0.4 -5.3 5.1 85 97 A K E < -C 82 0A 147 -3,-2.1 -3,-3.1 4,-0.0 2,-0.5 -0.873 69.6-122.3-101.7 135.9 -0.0 -1.9 6.9 86 98 A M E > -C 81 0A 9 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.597 11.9-155.9 -79.5 121.7 2.3 0.7 5.3 87 99 A V H > S+ 0 0 2 -7,-3.1 4,-2.7 -2,-0.5 5,-0.3 0.894 93.5 57.2 -56.1 -45.4 5.1 1.8 7.6 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.923 111.6 40.7 -57.8 -50.0 5.4 5.1 5.7 89 101 A E H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.888 113.1 54.8 -64.9 -40.2 1.8 6.0 6.3 90 102 A A H X S+ 0 0 25 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.899 107.2 49.7 -63.3 -48.7 1.8 4.7 9.9 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.7 0.933 113.8 46.4 -51.7 -51.5 4.8 6.9 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.5 -5,-0.3 -2,-0.2 0.903 109.3 54.0 -61.0 -42.4 3.1 10.0 9.3 93 105 A R H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.1 49.3 -64.0 -29.7 -0.3 9.2 11.0 94 106 A Q T 3<5S- 0 0 78 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.413 114.6-115.1 -88.8 5.5 1.4 9.1 14.4 95 107 A G T < 5S+ 0 0 0 -3,-1.5 32,-2.5 -4,-0.3 -3,-0.2 0.830 86.4 118.1 63.2 30.5 3.3 12.4 13.9 96 108 A L S - 0 0 150 -2,-1.1 3,-1.4 3,-0.4 -3,-0.0 -0.786 36.6 -93.6-102.0 146.4 9.9 13.9 -6.2 104 116 A K T 3 S+ 0 0 192 -2,-0.3 2,-0.1 1,-0.2 -1,-0.1 -0.205 110.1 16.0 -54.2 137.9 8.1 13.8 -9.6 105 117 A G T 3 S+ 0 0 40 -38,-0.1 -39,-0.8 1,-0.1 -38,-0.5 0.145 116.5 70.1 76.3 -22.5 7.3 10.2 -10.6 106 118 A N S < S+ 0 0 11 -3,-1.4 -3,-0.4 -40,-0.2 -74,-0.1 -0.337 74.4 89.7-110.9 55.3 7.9 8.7 -7.2 107 119 A N > + 0 0 59 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.037 35.9 131.7-137.9 32.6 4.9 10.2 -5.5 108 120 A T T 3 S+ 0 0 76 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.887 82.3 37.7 -54.6 -44.2 2.1 7.6 -6.0 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.127 81.8 114.9 -97.3 22.4 1.0 7.7 -2.4 110 122 A E H <> S+ 0 0 33 -3,-1.7 4,-3.2 1,-0.2 5,-0.2 0.942 77.3 45.4 -58.1 -49.5 1.5 11.4 -1.7 111 123 A Q H > S+ 0 0 131 -3,-0.3 4,-2.3 -4,-0.3 -1,-0.2 0.906 111.6 53.8 -66.9 -39.4 -2.2 12.3 -1.1 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.929 113.4 42.2 -51.8 -51.2 -2.7 9.3 1.2 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 113.1 53.9 -70.0 -36.9 0.3 10.4 3.3 114 126 A R H X S+ 0 0 92 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.874 106.2 52.1 -59.6 -39.5 -0.8 14.0 3.2 115 127 A K H X S+ 0 0 145 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.923 110.2 49.4 -66.7 -38.8 -4.2 13.0 4.5 116 128 A A H X S+ 0 0 7 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.900 109.5 51.3 -64.6 -43.6 -2.5 11.2 7.4 117 129 A E H X S+ 0 0 17 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.926 105.6 55.4 -59.8 -43.3 -0.3 14.2 8.2 118 130 A A H X S+ 0 0 40 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.917 110.6 45.2 -57.5 -39.1 -3.3 16.4 8.3 119 131 A Q H X S+ 0 0 69 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.933 111.7 51.2 -75.9 -38.1 -4.9 14.1 10.9 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 -1,-0.2 0.905 113.1 47.4 -57.7 -45.9 -1.7 13.8 13.0 121 133 A K H ><5S+ 0 0 82 -4,-3.0 3,-1.9 2,-0.2 -2,-0.2 0.927 108.8 52.3 -62.6 -45.7 -1.5 17.6 13.0 122 134 A K H 3<5S+ 0 0 133 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.883 111.8 48.9 -54.3 -36.9 -5.2 18.0 13.9 123 135 A E T 3<5S- 0 0 85 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.366 106.9-131.2 -91.7 4.4 -4.4 15.6 16.8 124 136 A K T < 5 - 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