==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-13 4J6H . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7279.0 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 . 30 23.3 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 . 8 6.2 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 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 82 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.1 2.5 -0.8 -8.2 2 8 A H - 0 0 113 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.989 360.0-116.9-141.9 154.3 2.9 -4.2 -6.6 3 9 A K - 0 0 88 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.565 28.4-170.0 -83.3 141.9 4.2 -5.7 -3.4 4 10 A E E -A 62 0A 26 58,-2.6 58,-2.7 -2,-0.3 2,-0.0 -0.926 27.8 -97.3-129.8 153.7 7.2 -8.0 -3.4 5 11 A P E +A 61 0A 106 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.318 44.8 156.7 -71.5 152.4 8.6 -10.2 -0.7 6 12 A A E -A 60 0A 12 54,-1.5 54,-0.6 15,-0.1 2,-0.3 -0.937 27.2-138.0-157.3 166.4 11.5 -9.3 1.7 7 13 A T E -D 20 0B 80 13,-1.4 13,-3.1 -2,-0.3 2,-0.3 -0.966 29.3-103.8-128.9 149.4 12.6 -10.3 5.1 8 14 A L E +D 19 0B 51 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.534 34.1 171.1 -67.5 134.0 13.9 -8.1 7.9 9 15 A I E - 0 0 66 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.783 68.8 -27.4 -98.8 -53.1 17.7 -8.1 8.5 10 16 A K E -D 18 0B 128 8,-2.0 8,-3.2 0, 0.0 -1,-0.3 -0.962 53.5-115.6-164.0 140.6 17.7 -5.2 11.0 11 17 A A E +D 17 0B 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.434 31.8 173.6 -64.0 140.3 16.0 -2.1 12.1 12 18 A I - 0 0 84 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.603 51.7 -45.0-114.3 -71.7 18.1 1.0 11.6 13 19 A D S S- 0 0 22 3,-1.8 -1,-0.5 33,-0.1 3,-0.4 -0.721 75.9 -57.5-147.8-161.5 16.1 4.2 12.3 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.837 131.4 16.3 -58.7 -34.5 12.7 5.9 11.7 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.4 20,-0.1 2,-0.4 0.252 115.7 69.8-129.9 13.4 12.9 5.8 7.9 16 22 A T E + E 0 29B 12 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.2 -0.990 50.5 169.9-130.4 143.0 15.7 3.3 7.1 17 23 A V E -DE 11 28B 2 11,-1.8 11,-3.5 -2,-0.4 2,-0.6 -0.992 31.5-126.2-147.0 145.5 15.7 -0.5 7.5 18 24 A K E +DE 10 27B 73 -8,-3.2 -9,-2.8 -2,-0.3 -8,-2.0 -0.855 39.0 170.6 -98.1 121.6 17.9 -3.3 6.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.4 -2,-0.6 2,-0.7 -0.916 38.1-121.4-126.5 156.5 16.0 -6.0 4.4 20 26 A M E +DE 7 25B 81 -13,-3.1 -13,-1.4 -2,-0.3 2,-0.4 -0.889 37.6 179.6 -95.4 115.8 16.9 -9.0 2.4 21 27 A Y E > - E 0 24B 21 3,-2.9 3,-1.9 -2,-0.7 -15,-0.1 -0.992 68.0 -8.6-125.9 127.4 15.4 -8.4 -1.1 22 28 A K T 3 S- 0 0 159 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.871 132.2 -57.1 51.2 36.5 15.7 -10.9 -3.9 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.542 117.8 107.4 80.7 5.4 18.1 -12.7 -1.6 24 30 A Q E < S-E 21 0B 122 -3,-1.9 -3,-2.9 -5,-0.0 2,-0.2 -0.936 72.2-115.0-122.0 140.7 20.5 -9.7 -1.2 25 31 A P E +E 20 0B 76 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.536 44.5 166.8 -73.6 132.8 21.0 -7.4 1.9 26 32 A M E -E 19 0B 42 -7,-2.4 -7,-2.6 -2,-0.2 2,-0.5 -0.993 36.7-128.5-143.2 146.5 19.9 -3.8 1.1 27 33 A T E -E 18 0B 47 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.817 29.7-155.3 -91.7 125.3 19.3 -0.7 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.5 -11,-1.8 -2,-0.5 2,-0.5 -0.874 7.1-155.5 -99.5 136.8 15.9 0.7 2.2 29 35 A R E -Ef 16 77B 19 47,-3.4 49,-1.4 -2,-0.4 2,-0.2 -0.953 29.8-116.5-104.1 126.1 15.0 4.4 2.6 30 36 A L E > - f 0 78B 5 -15,-2.4 3,-0.9 -2,-0.5 49,-0.2 -0.430 31.3-117.8 -67.8 125.5 11.2 4.9 2.9 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.2 -1,-0.1 -0.416 84.3 6.7 -59.6 144.0 9.7 6.9 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.469 107.3 89.1 70.0 12.1 8.0 10.2 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.890 51.8-156.8-135.2 165.6 8.8 10.7 4.4 34 40 A D E -H 98 0C 52 64,-1.7 64,-2.2 -2,-0.3 3,-0.1 -0.912 9.7-168.2-141.6 116.0 11.4 12.2 6.7 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.719 36.5 -99.1 -89.9 153.9 11.8 11.0 10.3 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.342 47.0 -99.0 -64.2 146.3 14.0 13.0 12.7 37 43 A E > - 0 0 87 1,-0.1 3,-2.1 -24,-0.1 6,-0.2 -0.302 37.6-103.7 -61.8 157.4 17.5 11.6 13.1 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.811 123.7 54.9 -55.6 -34.2 18.0 9.6 16.2 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.449 100.2 78.3 -80.5 -3.2 19.8 12.5 17.8 40 52 A E S X S- 0 0 97 -3,-2.1 3,-2.3 1,-0.1 2,-0.0 -0.642 99.4 -72.4-102.8 165.8 16.9 14.9 17.2 41 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.313 121.7 8.5 -59.4 131.9 13.6 15.4 18.9 42 54 A Y T 3> S+ 0 0 42 -4,-0.1 4,-2.6 1,-0.1 -1,-0.3 0.359 98.7 114.6 73.5 -6.9 11.2 12.4 18.2 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 5,-0.2 0.934 76.9 43.8 -56.0 -52.6 14.1 10.6 16.6 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.894 112.7 51.7 -61.9 -41.4 14.2 7.9 19.1 45 57 A E H > S+ 0 0 102 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.891 111.0 49.2 -60.8 -41.4 10.4 7.5 19.1 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.944 110.8 50.1 -59.9 -48.3 10.4 7.2 15.3 47 59 A S H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 112.2 47.2 -53.5 -46.2 13.2 4.6 15.4 48 60 A A H X S+ 0 0 55 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.903 110.5 53.1 -65.4 -42.6 11.3 2.6 18.0 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 113.8 40.6 -57.4 -55.2 8.0 2.9 16.0 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.918 114.2 54.1 -58.4 -45.6 9.5 1.5 12.9 51 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.8 -5,-0.3 5,-0.3 0.931 111.6 44.5 -52.6 -53.6 11.6 -1.1 14.7 52 64 A K H X S+ 0 0 140 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.930 113.0 51.4 -63.0 -39.5 8.5 -2.4 16.5 53 65 A M H X S+ 0 0 32 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.933 117.1 37.1 -69.0 -42.2 6.5 -2.4 13.3 54 66 A V H < S+ 0 0 3 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.852 116.6 51.6 -77.4 -31.2 9.0 -4.3 11.2 55 67 A E H < S+ 0 0 93 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.850 112.2 46.8 -73.5 -36.0 10.2 -6.7 14.0 56 68 A N H < S+ 0 0 101 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.633 90.0 108.5 -78.8 -15.4 6.6 -7.7 14.9 57 69 A A < - 0 0 18 -4,-0.6 3,-0.2 -3,-0.2 -49,-0.1 -0.410 52.0-163.0 -70.8 136.8 5.6 -8.3 11.3 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.821 86.3 32.7 -71.8 -36.2 5.0 -11.8 10.0 59 71 A K - 0 0 115 -52,-0.1 24,-2.8 2,-0.0 25,-0.4 -0.980 67.5-169.1-135.5 111.5 5.3 -10.6 6.4 60 72 A I E -AB 6 82A 10 -54,-0.6 -54,-1.5 -2,-0.4 2,-0.4 -0.857 13.3-173.8 -96.3 134.9 7.5 -7.7 5.2 61 73 A E E -AB 5 81A 29 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.983 15.8-147.6-130.7 149.5 6.9 -6.4 1.6 62 74 A V E -AB 4 80A 0 -58,-2.7 -58,-2.6 -2,-0.4 2,-0.5 -0.928 10.8-171.4-109.2 134.3 8.6 -4.0 -0.6 63 75 A E E - B 0 79A 14 16,-2.3 16,-3.1 -2,-0.4 -60,-0.2 -0.948 9.2-157.8-129.5 112.2 6.7 -1.9 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.490 13.0-132.9 -82.8 155.3 8.8 0.2 -5.6 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.134 35.3 -87.5 -91.4-166.6 7.2 3.2 -7.3 66 78 A K S S+ 0 0 170 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.617 103.5 46.2 -82.6 -20.5 7.5 4.0 -11.0 67 79 A G S S- 0 0 32 38,-0.4 39,-0.1 1,-0.3 38,-0.1 0.208 105.4 -1.8-100.9-139.5 10.7 5.9 -10.9 68 80 A Q - 0 0 118 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.3 -0.247 48.6-167.8 -62.0 134.8 14.2 5.5 -9.4 69 81 A R S S+ 0 0 113 1,-0.2 8,-2.7 -3,-0.1 2,-0.4 0.573 72.4 37.2-101.1 -15.6 14.5 2.4 -7.3 70 82 A T B S-G 76 0B 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.989 76.1-138.2-132.9 144.1 17.9 3.2 -5.6 71 83 A D > - 0 0 22 4,-2.7 3,-2.1 -2,-0.4 -2,-0.1 -0.325 41.1 -84.8 -91.0-173.1 19.1 6.6 -4.4 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.623 128.6 54.4 -68.9 -12.5 22.6 8.1 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.268 120.9-106.1 -98.6 3.4 23.8 6.2 -1.5 74 86 A G S < S+ 0 0 52 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.609 72.7 145.2 82.3 10.1 22.7 2.9 -2.9 75 87 A R - 0 0 65 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.678 53.7-115.4 -79.4 138.0 19.6 2.7 -0.6 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.4 -2,-0.3 2,-0.6 -0.459 23.5-143.4 -67.7 141.2 16.5 1.1 -2.0 77 89 A L E +f 29 0B 19 -8,-2.7 -12,-0.5 -49,-0.2 2,-0.3 -0.945 43.3 125.6-110.7 113.5 13.6 3.5 -2.4 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.963 63.3-102.5-155.3 164.8 10.2 1.9 -1.6 79 91 A Y E -B 63 0A 0 -16,-3.1 -16,-2.3 -2,-0.3 2,-0.4 -0.864 44.2-151.1 -90.5 129.7 7.0 1.8 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-2.8 -18,-0.2 8,-0.6 -0.900 8.4-159.3-111.2 133.3 7.5 -0.9 3.0 81 93 A Y E -BC 61 86A 16 -20,-3.0 -20,-2.1 -2,-0.4 2,-0.5 -0.922 8.4-162.5-116.3 140.4 4.5 -2.9 4.4 82 94 A A E > S-BC 60 85A 6 3,-2.9 3,-2.1 -2,-0.4 -22,-0.2 -0.975 84.1 -23.2-122.0 113.7 4.3 -4.8 7.6 83 95 A D T 3 S- 0 0 77 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.900 130.0 -49.7 43.4 47.0 1.5 -7.4 7.6 84 96 A G T 3 S+ 0 0 40 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.287 115.6 114.3 83.7 -6.6 -0.2 -5.3 5.0 85 97 A K E < -C 82 0A 155 -3,-2.1 -3,-2.9 4,-0.0 2,-0.6 -0.788 68.8-122.1 -99.0 132.1 0.2 -1.9 6.8 86 98 A M E > -C 81 0A 8 -2,-0.4 4,-2.2 -5,-0.2 -5,-0.3 -0.615 13.5-157.5 -76.5 122.3 2.4 0.7 5.2 87 99 A V H > S+ 0 0 1 -7,-2.8 4,-2.6 -2,-0.6 5,-0.3 0.903 92.8 56.8 -60.5 -45.5 5.2 1.8 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.923 111.8 41.7 -54.1 -49.4 5.6 5.1 5.6 89 101 A E H > S+ 0 0 65 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.894 111.6 55.2 -66.6 -41.9 1.9 6.0 6.1 90 102 A A H X S+ 0 0 24 -4,-2.2 4,-1.6 2,-0.2 6,-0.2 0.917 106.8 50.8 -60.3 -42.4 1.8 4.8 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 6,-0.8 0.939 113.3 45.4 -59.6 -46.5 4.8 7.0 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.3 -2,-0.2 0.938 109.5 54.6 -66.0 -43.6 3.1 10.0 9.1 93 105 A R H 3<5S+ 0 0 73 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.797 109.2 49.1 -62.6 -31.7 -0.3 9.2 10.7 94 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.357 115.1-113.2 -88.2 7.1 1.4 9.2 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.6 -4,-0.3 -3,-0.2 0.755 87.4 116.5 66.2 27.0 3.2 12.5 13.7 96 108 A L S - 0 0 154 -2,-1.2 3,-2.0 3,-0.4 -3,-0.0 -0.783 36.0 -98.3 -94.4 137.8 10.1 13.8 -6.4 104 116 A K T 3 S+ 0 0 206 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.156 108.8 23.9 -46.5 133.1 8.2 13.7 -9.7 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -38,-0.4 1,-0.1 -39,-0.3 0.332 115.7 62.8 85.5 -13.6 7.7 10.0 -10.9 106 118 A N S < S+ 0 0 14 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.452 76.0 97.5-128.0 60.2 8.1 8.4 -7.4 107 119 A N > + 0 0 58 -5,-0.1 3,-1.7 1,-0.1 4,-0.3 0.112 33.0 125.0-135.1 24.6 5.0 10.0 -5.9 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.864 81.4 40.8 -55.9 -40.7 2.3 7.4 -6.3 109 121 A Q T 3> S+ 0 0 32 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.190 83.8 110.9 -94.3 11.8 1.3 7.4 -2.5 110 122 A E H <> S+ 0 0 36 -3,-1.7 4,-2.8 1,-0.2 5,-0.2 0.908 76.7 44.9 -54.4 -50.6 1.6 11.1 -2.0 111 123 A Q H > S+ 0 0 130 -3,-0.4 4,-1.9 -4,-0.3 -1,-0.2 0.917 111.6 52.9 -70.2 -30.9 -2.0 11.9 -1.5 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 113.0 45.8 -64.1 -44.3 -2.5 9.0 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.901 110.3 52.3 -68.7 -38.8 0.4 10.2 3.0 114 126 A R H X S+ 0 0 92 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.870 106.8 53.4 -64.7 -34.2 -0.7 13.9 2.9 115 127 A K H X S+ 0 0 151 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.935 109.1 49.6 -68.7 -37.5 -4.1 12.9 4.2 116 128 A A H X S+ 0 0 7 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.890 109.8 51.3 -63.2 -45.1 -2.4 11.0 7.1 117 129 A E H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.916 106.6 53.9 -62.0 -41.4 -0.3 14.1 7.9 118 130 A A H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 110.1 47.0 -62.7 -36.4 -3.3 16.3 7.9 119 131 A Q H X S+ 0 0 68 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.928 111.1 51.0 -71.9 -44.0 -4.9 14.1 10.4 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 -2,-0.2 0.885 111.9 48.8 -53.5 -39.8 -1.8 13.9 12.6 121 133 A K H ><5S+ 0 0 87 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.885 107.9 53.0 -71.0 -39.0 -1.6 17.6 12.6 122 134 A K H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.905 112.0 46.1 -57.4 -45.4 -5.2 18.0 13.5 123 135 A E T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.404 108.3-130.6 -78.7 -2.1 -4.6 15.7 16.5 124 136 A K T < 5 - 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