==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JAN-11 3QB3 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,G.SUE,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) . 7198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 . 31 24.0 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 . 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 3 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 67 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.7 2.3 -0.4 -8.2 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.985 360.0-132.9-126.2 132.7 3.2 -4.0 -7.2 3 9 A K E -A 63 0A 92 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.644 26.8-168.6 -80.0 135.8 4.2 -5.5 -3.9 4 10 A E E -A 62 0A 38 58,-2.8 58,-2.7 -2,-0.3 2,-0.0 -0.939 25.7 -95.0-123.6 157.0 7.3 -7.7 -3.9 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.301 42.7 166.6 -72.2 143.7 8.8 -10.0 -1.3 6 12 A A E -A 60 0A 9 54,-1.5 54,-0.7 15,-0.1 2,-0.5 -0.971 25.3-140.0-146.6 157.6 11.5 -9.0 1.1 7 13 A T E -D 20 0B 97 13,-1.9 13,-3.5 -2,-0.3 2,-0.1 -0.984 29.6-112.1-120.2 126.3 12.8 -10.6 4.3 8 14 A L E +D 19 0B 50 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.337 37.6 167.3 -57.9 132.1 13.7 -8.5 7.3 9 15 A I E - 0 0 75 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.765 67.7 -24.7-103.2 -54.2 17.5 -8.3 8.1 10 16 A K E -D 18 0B 123 8,-2.1 8,-3.3 44,-0.0 2,-0.4 -0.900 51.0-127.3-161.3 132.8 17.5 -5.4 10.6 11 17 A A E -D 17 0B 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.674 29.6-179.1 -73.7 134.0 15.4 -2.3 11.5 12 18 A I - 0 0 75 4,-1.9 2,-0.2 1,-0.4 5,-0.2 0.875 51.5 -36.4-104.2 -57.1 17.8 0.6 11.4 13 19 A D S S- 0 0 20 3,-1.7 3,-0.4 33,-0.1 -1,-0.4 -0.688 81.9 -59.0-150.6-162.0 15.9 3.7 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.844 132.0 18.0 -58.8 -33.2 12.5 5.3 11.9 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.272 112.6 72.7-129.3 15.3 12.7 5.4 8.1 16 22 A T E + E 0 29B 11 -3,-0.4 -4,-1.9 13,-0.2 -3,-1.7 -0.997 49.3 174.5-133.1 134.0 15.4 2.9 7.1 17 23 A V E -DE 11 28B 0 11,-2.2 11,-3.3 -2,-0.4 2,-0.5 -0.993 24.7-137.3-139.4 131.9 15.2 -0.8 7.2 18 24 A K E +DE 10 27B 79 -8,-3.3 -9,-2.7 -2,-0.4 -8,-2.1 -0.762 37.4 162.1 -89.9 127.7 17.7 -3.4 6.0 19 25 A A E -DE 8 26B 0 7,-2.8 7,-2.4 -2,-0.5 2,-0.6 -0.986 43.9-107.3-148.5 152.1 16.0 -6.3 4.1 20 26 A M E +DE 7 25B 75 -13,-3.5 -13,-1.9 -2,-0.3 2,-0.4 -0.785 39.6 179.7 -84.8 121.6 16.8 -9.1 1.8 21 27 A Y E > S- E 0 24B 20 3,-2.8 3,-1.8 -2,-0.6 -15,-0.1 -0.992 70.0 -11.8-131.5 126.0 15.4 -8.3 -1.7 22 28 A K T 3 S- 0 0 153 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.904 130.8 -57.6 45.6 37.3 15.7 -10.7 -4.6 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.565 119.0 101.7 78.0 7.1 18.2 -12.5 -2.4 24 30 A Q E < S-E 21 0B 128 -3,-1.8 -3,-2.8 -5,-0.1 2,-0.2 -0.974 77.7-109.3-122.0 144.0 20.6 -9.5 -1.8 25 31 A P E +E 20 0B 76 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.476 42.5 176.0 -69.4 136.1 20.8 -7.3 1.2 26 32 A M E -E 19 0B 43 -7,-2.4 -7,-2.8 -2,-0.2 2,-0.6 -0.997 29.4-134.5-137.5 138.0 19.4 -3.8 0.5 27 33 A T E -E 18 0B 48 -2,-0.4 49,-2.5 47,-0.3 2,-0.5 -0.861 28.3-151.5 -88.5 120.8 19.0 -0.8 2.9 28 34 A F E -Ef 17 76B 2 -11,-3.3 -11,-2.2 -2,-0.6 2,-0.5 -0.841 9.0-159.3 -97.3 131.6 15.5 0.6 2.2 29 35 A R E -Ef 16 77B 20 47,-3.3 49,-1.4 -2,-0.5 -13,-0.2 -0.960 31.0-115.2-104.2 125.6 14.7 4.2 2.7 30 36 A L E > - f 0 78B 2 -15,-2.8 3,-1.0 -2,-0.5 49,-0.2 -0.375 30.5-117.6 -69.3 127.7 11.0 4.8 3.1 31 37 A L T 3 S+ 0 0 8 47,-2.5 49,-0.1 1,-0.2 -1,-0.1 -0.338 84.9 4.5 -59.4 141.0 9.4 6.9 0.4 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.452 107.8 94.1 71.4 14.1 7.7 10.2 1.1 33 39 A V E < -H 99 0C 0 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.867 50.5-161.6-132.2 160.7 8.6 10.4 4.8 34 40 A D E -H 98 0C 56 64,-1.8 64,-2.3 -2,-0.3 3,-0.1 -0.907 10.8-168.7-140.4 114.6 11.2 11.8 7.1 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.685 36.5 -96.0 -88.2 157.6 11.6 10.6 10.6 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.306 46.5-101.1 -63.3 148.9 13.7 12.4 13.2 37 43 A E > - 0 0 88 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.406 36.5-105.5 -63.9 154.9 17.3 11.1 13.5 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.811 123.2 57.0 -51.4 -33.7 17.8 8.9 16.6 39 51 A N T 3 S+ 0 0 134 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.588 100.2 76.4 -75.0 -5.2 19.6 11.8 18.2 40 52 A E S X S- 0 0 97 -3,-2.4 3,-2.2 1,-0.1 2,-0.1 -0.532 99.4 -75.9-107.9 161.7 16.6 14.1 17.8 41 53 A K T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.396 121.2 11.9 -60.8 135.2 13.3 14.4 19.6 42 54 A Y T 3> S+ 0 0 56 -2,-0.1 4,-2.7 -4,-0.1 -1,-0.3 0.339 98.8 112.7 70.7 0.7 10.9 11.6 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 -6,-0.2 -5,-0.2 0.966 78.0 42.1 -65.9 -50.8 13.9 9.9 16.9 44 56 A P H > S+ 0 0 45 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.923 115.0 52.3 -64.5 -34.9 14.0 7.0 19.4 45 57 A E H > S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.907 110.5 47.0 -66.5 -41.1 10.2 6.7 19.3 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.928 111.5 51.5 -64.3 -44.0 10.2 6.6 15.5 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.942 112.2 46.3 -57.3 -45.4 12.9 4.0 15.4 48 60 A A H X S+ 0 0 57 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.821 109.8 53.8 -68.2 -36.4 11.1 1.8 17.9 49 61 A F H X S+ 0 0 61 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.949 113.6 40.8 -62.2 -51.0 7.8 2.1 16.1 50 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.923 114.0 54.6 -65.2 -41.0 9.2 1.0 12.7 51 63 A K H X S+ 0 0 97 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.937 110.7 44.8 -58.1 -50.7 11.3 -1.7 14.5 52 64 A K H X S+ 0 0 142 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.921 112.7 53.0 -60.9 -41.5 8.2 -3.2 16.2 53 65 A M H X S+ 0 0 33 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.936 116.4 35.1 -62.6 -47.6 6.2 -3.1 13.0 54 66 A V H < S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.846 118.4 51.4 -80.1 -32.9 8.6 -4.9 10.8 55 67 A E H < S+ 0 0 92 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.812 111.0 47.5 -70.0 -34.3 9.9 -7.3 13.5 56 68 A N H < S+ 0 0 117 -4,-2.1 2,-0.2 -5,-0.2 -1,-0.2 0.641 91.3 105.1 -84.6 -12.6 6.4 -8.4 14.5 57 69 A A < - 0 0 19 -4,-0.7 3,-0.1 -5,-0.2 -3,-0.0 -0.456 64.7-146.8 -72.8 138.0 5.2 -9.0 10.9 58 70 A K S S+ 0 0 190 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.868 89.7 9.6 -65.0 -37.9 4.8 -12.5 9.5 59 71 A K - 0 0 114 -52,-0.1 24,-2.8 2,-0.0 2,-0.3 -1.000 63.6-156.4-142.5 149.0 5.9 -10.9 6.2 60 72 A I E -AB 6 82A 8 -54,-0.7 -54,-1.5 -2,-0.3 2,-0.3 -0.857 14.1-171.6-111.1 152.0 7.3 -7.7 4.9 61 73 A E E -AB 5 81A 30 20,-2.1 20,-2.9 -2,-0.3 2,-0.4 -0.979 12.2-144.0-136.4 155.1 6.9 -6.5 1.3 62 74 A V E -AB 4 80A 0 -58,-2.7 -58,-2.8 -2,-0.3 2,-0.5 -0.950 8.3-164.7-119.4 146.7 8.4 -3.6 -0.7 63 75 A E E -AB 3 79A 10 16,-2.3 16,-3.0 -2,-0.4 2,-0.2 -0.972 9.8-151.8-132.1 116.4 6.7 -1.7 -3.3 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.507 13.0-132.2 -84.1 154.7 8.6 0.5 -5.7 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.134 32.9 -93.1 -90.9-166.7 7.2 3.6 -7.3 66 78 A K S S+ 0 0 169 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.560 103.9 46.7 -84.3 -17.3 7.4 4.6 -11.0 67 79 A G S S+ 0 0 34 1,-0.3 39,-0.1 36,-0.1 38,-0.1 0.161 107.5 0.6-100.6-133.8 10.5 6.7 -10.7 68 80 A Q - 0 0 126 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.245 47.9-172.5 -61.8 131.2 13.9 6.3 -9.1 69 81 A R S S+ 0 0 122 1,-0.1 8,-2.7 -3,-0.1 2,-0.4 0.624 73.2 38.2 -96.9 -17.7 14.3 2.9 -7.3 70 82 A T B S-G 76 0B 69 6,-0.2 6,-0.2 -42,-0.1 -1,-0.1 -0.977 75.6-139.5-129.1 144.7 17.7 3.7 -5.7 71 83 A D > - 0 0 24 4,-2.3 3,-2.0 -2,-0.4 -2,-0.0 -0.361 42.3 -86.6 -96.0 179.4 19.0 7.0 -4.2 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.613 128.7 54.5 -62.7 -13.0 22.4 8.5 -4.5 73 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.487 120.4-106.2 -97.9 -3.0 23.6 6.4 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.0 -47,-0.3 1,-0.3 2,-0.3 0.533 72.1 144.8 86.6 9.1 22.5 3.1 -3.0 75 87 A R - 0 0 68 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.591 54.1-115.5 -75.6 138.8 19.4 2.8 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.3 -2,-0.3 2,-0.6 -0.494 23.1-143.7 -72.1 134.9 16.3 1.3 -2.2 77 89 A L E +f 29 0B 20 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.959 43.4 133.1-104.5 110.6 13.4 3.7 -2.3 78 90 A A E -f 30 0B 2 -49,-1.4 -47,-2.5 -2,-0.6 2,-0.5 -0.970 60.7-105.2-147.9 165.8 10.1 2.0 -1.5 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.3 -2,-0.3 2,-0.5 -0.869 42.2-147.7 -90.3 129.3 6.9 1.7 0.3 80 92 A K E -B 62 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.886 10.6-162.2-107.1 133.2 7.3 -0.9 3.0 81 93 A Y E -BC 61 86A 15 -20,-2.9 -20,-2.1 -2,-0.5 2,-0.6 -0.949 8.4-162.2-119.7 130.5 4.4 -3.2 4.1 82 94 A A E > S-BC 60 85A 9 3,-3.2 3,-2.2 -2,-0.4 -22,-0.2 -0.968 85.3 -25.1-112.9 108.5 4.1 -5.2 7.3 83 95 A D T 3 S- 0 0 88 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.906 130.2 -48.1 47.7 50.0 1.4 -7.9 6.9 84 96 A G T 3 S+ 0 0 45 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.313 115.6 115.4 79.0 -7.0 -0.2 -5.6 4.3 85 97 A K E < -C 82 0A 81 -3,-2.2 -3,-3.2 4,-0.0 2,-0.4 -0.853 68.7-121.4 -97.1 133.1 -0.1 -2.4 6.4 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.481 14.6-160.3 -72.5 122.8 2.1 0.4 5.0 87 99 A V H > S+ 0 0 0 -7,-3.0 4,-2.7 -2,-0.4 5,-0.3 0.893 91.2 57.3 -64.2 -41.7 4.9 1.5 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.946 111.1 41.8 -58.4 -47.0 5.3 4.8 5.7 89 101 A E H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.902 112.6 54.1 -66.4 -43.2 1.6 5.7 6.2 90 102 A A H X S+ 0 0 10 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.895 106.9 51.4 -60.1 -43.7 1.6 4.4 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 6,-0.7 0.949 113.7 44.2 -57.2 -48.9 4.6 6.5 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.3 -2,-0.2 0.915 109.8 54.8 -63.9 -44.5 2.9 9.6 9.4 93 105 A R H 3<5S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.6 49.4 -61.4 -28.9 -0.5 8.8 10.9 94 106 A Q T 3<5S- 0 0 76 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.443 115.3-114.6 -91.5 5.6 1.2 8.5 14.4 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.5 -4,-0.3 -3,-0.2 0.786 86.4 116.3 67.3 29.3 3.0 11.9 14.0 96 108 A L S - 0 0 134 -2,-1.0 3,-1.8 3,-0.4 -36,-0.1 -0.881 34.6-104.0-100.6 139.0 9.6 14.2 -5.9 104 116 A K T 3 S+ 0 0 164 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.270 108.1 27.8 -50.5 138.2 7.5 14.1 -9.1 105 117 A G T 3 S+ 0 0 41 -38,-0.1 -1,-0.2 1,-0.0 -39,-0.2 0.362 118.5 59.8 89.2 -11.6 7.4 10.7 -10.7 106 118 A N S < S+ 0 0 10 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.332 78.7 91.1-135.9 50.0 7.9 8.9 -7.3 107 119 A N > + 0 0 55 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.021 32.8 135.0-140.3 38.5 4.8 10.2 -5.4 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.876 82.4 39.0 -57.3 -42.3 2.0 7.7 -6.0 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.186 81.1 113.1 -99.7 22.5 1.0 7.6 -2.3 110 122 A E H <> S+ 0 0 38 -3,-1.9 4,-3.1 2,-0.2 5,-0.2 0.932 78.6 45.8 -60.4 -47.5 1.4 11.3 -1.6 111 123 A Q H > S+ 0 0 128 -3,-0.4 4,-2.6 -4,-0.3 5,-0.2 0.932 110.3 53.6 -69.6 -36.0 -2.2 12.1 -1.0 112 124 A L H > S+ 0 0 72 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 114.1 43.3 -54.0 -48.8 -2.7 9.0 1.2 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 110.9 53.6 -74.4 -33.8 0.2 10.2 3.4 114 126 A R H X S+ 0 0 93 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.903 107.6 52.1 -62.8 -37.1 -0.9 13.8 3.4 115 127 A K H X S+ 0 0 132 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.939 110.0 49.1 -66.7 -41.2 -4.3 12.8 4.6 116 128 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.867 110.4 50.8 -59.8 -45.2 -2.6 10.8 7.4 117 129 A E H X S+ 0 0 23 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.913 106.7 53.3 -63.4 -39.5 -0.4 13.8 8.3 118 130 A A H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 110.6 48.8 -62.4 -38.4 -3.5 16.1 8.5 119 131 A Q H X S+ 0 0 69 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.915 111.0 48.6 -68.4 -42.1 -5.1 13.6 10.9 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 4,-0.4 0.882 111.9 50.4 -60.9 -43.1 -1.9 13.3 13.1 121 133 A K H ><5S+ 0 0 99 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.906 108.1 51.7 -62.8 -39.3 -1.7 17.1 13.2 122 134 A K H 3<5S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 112.1 46.9 -67.5 -31.7 -5.4 17.5 14.3 123 135 A E T 3<5S- 0 0 102 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.447 107.7-129.2 -90.3 -4.2 -4.8 15.0 17.1 124 136 A K T < 5 + 0 0 150 -3,-1.0 2,-0.4 -4,-0.4 -3,-0.2 0.858 43.4 177.8 60.5 39.8 -1.6 16.8 18.1 125 137 A L > < - 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