==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-13 4K2L . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7241.0 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 . 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 69 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 164.1 2.2 -0.7 -8.2 2 8 A H - 0 0 152 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.973 360.0-131.0-132.3 138.5 3.1 -4.2 -6.9 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.639 27.4-171.3 -86.8 142.7 4.1 -5.6 -3.6 4 10 A E E -A 62 0A 47 58,-2.7 58,-2.4 -2,-0.3 2,-0.0 -0.942 26.5 -95.8-130.4 152.1 7.2 -7.9 -3.5 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.304 43.6 159.8 -69.6 143.6 8.6 -10.0 -0.8 6 12 A A E -A 60 0A 10 54,-1.6 54,-0.6 15,-0.1 2,-0.3 -0.952 25.8-139.1-146.1 164.5 11.4 -9.0 1.5 7 13 A T E -D 20 0B 81 13,-1.7 13,-3.2 -2,-0.3 2,-0.2 -0.967 28.7-104.7-124.6 146.7 12.7 -10.2 4.9 8 14 A L E +D 19 0B 53 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.456 36.1 169.1 -64.6 128.7 13.9 -8.1 7.8 9 15 A I E - 0 0 75 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.724 69.3 -26.8 -95.8 -54.9 17.7 -8.1 8.4 10 16 A K E -D 18 0B 111 8,-1.8 8,-3.0 44,-0.0 -1,-0.3 -0.955 53.6-118.2-162.3 136.3 17.8 -5.2 11.0 11 17 A A E +D 17 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.437 32.3 176.0 -64.7 144.2 15.9 -2.1 12.0 12 18 A I - 0 0 88 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.572 51.5 -42.5-116.4 -63.3 18.1 1.0 11.6 13 19 A D S S- 0 0 22 3,-2.0 -1,-0.5 33,-0.1 3,-0.5 -0.776 77.7 -58.7-151.1-160.8 16.1 4.1 12.4 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.823 130.8 17.4 -60.3 -32.0 12.7 5.8 11.8 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.291 115.1 68.6-130.5 12.3 12.9 5.7 8.0 16 22 A T E + E 0 29B 11 -3,-0.5 -3,-2.0 13,-0.2 -4,-1.2 -0.989 51.1 173.0-133.0 138.5 15.6 3.2 7.0 17 23 A V E -DE 11 28B 0 11,-2.1 11,-3.1 -2,-0.4 2,-0.6 -0.991 31.0-125.6-141.0 139.9 15.5 -0.6 7.5 18 24 A K E +DE 10 27B 66 -8,-3.0 -9,-2.8 -2,-0.3 -8,-1.8 -0.807 40.5 172.4 -90.1 122.2 17.9 -3.3 6.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.5 -2,-0.6 2,-0.6 -0.940 37.2-123.5-127.0 152.8 16.0 -5.9 4.3 20 26 A M E +DE 7 25B 80 -13,-3.2 -13,-1.7 -2,-0.3 2,-0.4 -0.870 36.0 179.5 -96.3 120.8 16.9 -8.9 2.2 21 27 A Y E > - E 0 24B 15 3,-2.7 3,-1.9 -2,-0.6 -15,-0.1 -0.992 68.7 -9.6-129.9 128.8 15.4 -8.3 -1.2 22 28 A K T 3 S- 0 0 149 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.820 131.5 -56.8 43.1 41.2 15.8 -10.8 -4.1 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.1 0.546 117.2 105.9 84.0 4.4 18.2 -12.5 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-1.9 -3,-2.7 -5,-0.0 2,-0.3 -0.949 72.2-115.7-122.2 140.7 20.6 -9.5 -1.3 25 31 A P E +E 20 0B 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.543 43.8 167.0 -72.2 133.8 21.0 -7.3 1.8 26 32 A M E -E 19 0B 41 -7,-2.5 -7,-2.6 -2,-0.3 2,-0.5 -0.998 38.1-125.1-146.6 146.0 20.0 -3.7 1.1 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.822 31.9-155.7 -85.5 128.6 19.3 -0.6 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.1 -11,-2.1 -2,-0.5 2,-0.5 -0.901 5.3-156.8-106.6 132.2 15.8 0.7 2.2 29 35 A R E -Ef 16 77B 20 47,-3.2 49,-1.4 -2,-0.4 2,-0.2 -0.929 28.1-113.4-103.7 133.3 14.8 4.3 2.7 30 36 A L E > - f 0 78B 2 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.442 32.4-120.3 -71.3 129.3 11.0 4.9 3.1 31 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 -2,-0.2 -1,-0.1 -0.367 84.2 6.2 -64.0 143.7 9.5 6.9 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.7 1,-0.2 2,-0.3 0.508 108.8 90.7 71.3 13.7 7.8 10.3 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.882 51.7-159.0-136.0 163.6 8.6 10.7 4.5 34 40 A D E -H 98 0C 54 64,-1.6 64,-2.3 -2,-0.3 3,-0.1 -0.907 9.2-168.2-143.9 116.1 11.3 12.1 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.724 36.6 -95.9 -90.7 155.9 11.7 11.0 10.4 36 42 A P - 0 0 18 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.275 47.0-101.9 -63.1 151.6 13.9 13.0 12.8 37 43 A E > - 0 0 89 1,-0.1 3,-2.3 -24,-0.1 6,-0.2 -0.394 36.6-104.0 -71.1 158.2 17.4 11.6 13.2 38 50 A F T 3 S+ 0 0 130 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.836 122.9 55.1 -56.9 -32.5 18.0 9.6 16.2 39 51 A N T 3 S+ 0 0 137 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.531 99.7 78.0 -77.2 -8.8 19.8 12.5 17.8 40 52 A E S X S- 0 0 96 -3,-2.3 3,-2.1 1,-0.1 2,-0.1 -0.521 99.7 -74.0 -99.8 164.6 16.8 14.9 17.3 41 53 A K T 3 S+ 0 0 159 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.384 121.6 10.6 -59.8 137.2 13.5 15.3 19.2 42 54 A Y T 3> S+ 0 0 44 -4,-0.1 4,-2.6 -7,-0.1 -1,-0.3 0.378 98.4 112.3 69.1 -2.6 11.1 12.3 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.6 -6,-0.2 -5,-0.2 0.947 77.3 45.0 -64.6 -47.6 14.0 10.5 16.6 44 56 A P H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.897 114.4 50.2 -63.8 -36.7 14.2 7.8 19.2 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.0 48.7 -64.5 -41.2 10.4 7.4 19.2 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.928 112.6 48.4 -61.8 -46.3 10.4 7.2 15.3 47 59 A S H X S+ 0 0 16 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.918 112.9 48.3 -59.8 -44.2 13.1 4.6 15.4 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.878 110.2 52.0 -65.3 -35.2 11.3 2.6 18.1 49 61 A F H X S+ 0 0 60 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.948 113.0 42.3 -68.5 -48.0 8.0 2.8 16.2 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.921 113.1 54.1 -64.3 -40.1 9.5 1.5 12.9 51 63 A K H X S+ 0 0 84 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.931 110.7 45.7 -57.9 -50.3 11.5 -1.2 14.8 52 64 A K H X S+ 0 0 139 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.951 113.4 50.4 -61.3 -41.9 8.4 -2.5 16.5 53 65 A M H X S+ 0 0 29 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.932 117.6 36.9 -66.7 -43.4 6.4 -2.5 13.3 54 66 A V H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.869 117.3 50.3 -79.4 -32.6 9.0 -4.4 11.2 55 67 A E H < S+ 0 0 84 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.801 112.6 47.1 -71.4 -32.3 10.2 -6.8 13.9 56 68 A N H < S+ 0 0 93 -4,-2.1 -1,-0.2 -5,-0.3 2,-0.2 0.613 89.9 107.4 -85.2 -14.7 6.6 -7.9 14.9 57 69 A A < - 0 0 17 -4,-0.7 3,-0.2 -3,-0.2 -3,-0.0 -0.444 54.2-160.5 -69.3 138.0 5.5 -8.4 11.2 58 70 A K S S+ 0 0 187 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.845 86.6 28.8 -77.1 -33.5 5.0 -11.9 10.0 59 71 A K - 0 0 116 -52,-0.1 24,-2.9 -3,-0.0 2,-0.4 -0.987 66.7-169.0-134.0 118.7 5.4 -10.6 6.4 60 72 A I E -AB 6 82A 13 -54,-0.6 -54,-1.6 -2,-0.4 2,-0.3 -0.873 12.0-177.6-100.5 141.2 7.3 -7.7 5.2 61 73 A E E -AB 5 81A 31 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.980 14.7-149.5-131.2 148.6 6.8 -6.4 1.5 62 74 A V E -AB 4 80A 0 -58,-2.4 -58,-2.7 -2,-0.3 2,-0.4 -0.930 7.3-164.1-110.8 149.3 8.4 -3.7 -0.5 63 75 A E E -AB 3 79A 9 16,-2.6 16,-3.0 -2,-0.4 -60,-0.2 -0.962 8.6-152.5-132.6 114.2 6.6 -1.8 -3.2 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.466 13.1-136.4 -81.4 152.9 8.6 0.3 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.2 3,-0.3 -1,-0.1 -0.165 36.2 -84.0 -90.4-163.0 7.0 3.3 -7.3 66 78 A K S S+ 0 0 166 39,-0.7 40,-0.2 -2,-0.1 3,-0.1 0.574 104.4 43.1 -83.5 -16.0 7.3 4.3 -11.0 67 79 A G S S+ 0 0 32 38,-0.4 38,-0.1 1,-0.3 39,-0.1 0.180 104.4 0.9-108.6-142.0 10.6 6.1 -10.8 68 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.266 47.3-167.8 -54.0 132.0 14.0 5.8 -9.3 69 81 A R S S+ 0 0 125 1,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.571 73.1 35.5 -99.9 -13.9 14.4 2.5 -7.3 70 82 A T B S-G 76 0B 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.979 75.7-137.3-132.1 149.2 17.7 3.4 -5.6 71 83 A D > - 0 0 24 4,-2.2 3,-2.2 -2,-0.3 -2,-0.0 -0.342 42.1 -84.8 -95.1-174.9 19.0 6.8 -4.4 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.595 129.7 54.2 -68.8 -10.1 22.4 8.2 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.287 120.3-108.3 -98.6 2.4 23.6 6.3 -1.6 74 86 A G S < S+ 0 0 49 -3,-2.2 2,-0.4 1,-0.3 -47,-0.3 0.617 71.0 145.3 76.5 13.4 22.4 3.0 -3.1 75 87 A R - 0 0 67 -49,-0.1 -4,-2.2 -47,-0.1 -1,-0.3 -0.689 54.4-112.3 -79.5 141.7 19.5 2.8 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.2 -2,-0.4 2,-0.6 -0.423 23.5-145.8 -67.7 142.1 16.3 1.2 -2.1 77 89 A L E +f 29 0B 18 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.940 44.5 123.8-115.6 109.3 13.4 3.6 -2.4 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.1 -2,-0.6 2,-0.4 -0.976 62.5-101.9-152.0 164.2 10.1 1.8 -1.7 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.6 -2,-0.3 2,-0.4 -0.813 42.0-144.4 -88.9 138.5 6.9 1.8 0.4 80 92 A Q E -B 62 0A 0 -2,-0.4 7,-3.0 -18,-0.2 8,-0.6 -0.911 11.6-161.5-108.7 137.2 7.2 -0.8 3.1 81 93 A Y E -BC 61 86A 17 -20,-2.8 -20,-2.1 -2,-0.4 2,-0.5 -0.974 6.8-164.2-119.9 133.2 4.3 -3.0 4.4 82 94 A A E > S-BC 60 85A 9 3,-2.8 3,-2.2 -2,-0.4 -22,-0.2 -0.973 85.0 -24.6-116.1 114.3 4.2 -4.9 7.6 83 95 A D T 3 S- 0 0 87 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.908 129.9 -48.8 44.0 47.8 1.4 -7.5 7.6 84 96 A G T 3 S+ 0 0 50 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.331 114.7 117.0 85.0 -10.4 -0.3 -5.4 5.0 85 97 A K E < -C 82 0A 115 -3,-2.2 -3,-2.8 3,-0.0 2,-0.4 -0.835 68.0-123.3 -94.6 127.0 0.0 -2.0 6.9 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.520 14.0-157.3 -72.8 121.2 2.1 0.6 5.2 87 99 A V H > S+ 0 0 0 -7,-3.0 4,-2.4 -2,-0.4 5,-0.3 0.921 91.9 56.8 -63.0 -41.4 5.0 1.7 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.908 111.8 41.9 -57.0 -48.7 5.4 5.0 5.6 89 101 A E H > S+ 0 0 57 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.866 111.3 55.5 -65.4 -43.0 1.7 5.9 6.3 90 102 A A H X S+ 0 0 3 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.895 108.1 48.5 -61.1 -40.0 1.7 4.7 9.9 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-0.8 0.934 113.8 46.1 -65.2 -44.8 4.7 6.9 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.8 -5,-0.3 -2,-0.2 0.936 110.3 53.6 -64.5 -42.4 3.0 10.0 9.2 93 105 A R H 3<5S+ 0 0 74 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.789 109.2 50.0 -65.5 -29.5 -0.4 9.2 10.9 94 106 A Q T 3<5S- 0 0 75 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.362 114.8-115.2 -88.2 6.0 1.3 9.0 14.3 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 2,-0.2 -3,-0.2 0.796 87.1 115.1 65.2 30.0 3.1 12.4 13.8 96 108 A L S - 0 0 147 -2,-1.1 3,-1.8 3,-0.4 -36,-0.1 -0.805 36.2 -96.2-103.0 143.3 9.9 13.8 -6.3 104 116 A K T 3 S+ 0 0 212 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.189 108.2 18.1 -62.5 142.8 8.0 13.6 -9.6 105 117 A G T 3 S+ 0 0 32 -38,-0.1 -39,-0.7 1,-0.1 -38,-0.4 0.174 116.5 69.0 77.6 -22.6 7.3 10.0 -10.7 106 118 A N S < S+ 0 0 12 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.273 76.3 89.4-112.5 54.6 7.9 8.5 -7.3 107 119 A N > + 0 0 55 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.102 34.9 130.0-138.6 32.5 4.9 10.0 -5.7 108 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 -3,-0.2 4,-0.2 0.886 82.9 39.6 -56.4 -44.5 2.0 7.5 -6.1 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.208 81.8 113.0 -95.6 22.8 1.0 7.6 -2.4 110 122 A E H <> S+ 0 0 35 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.925 78.5 44.3 -60.6 -48.1 1.5 11.3 -1.9 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.919 111.1 54.0 -73.4 -31.7 -2.1 12.2 -1.3 112 124 A L H > S+ 0 0 77 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 113.5 44.1 -55.7 -44.5 -2.7 9.2 1.0 113 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 110.4 53.6 -74.1 -36.6 0.2 10.3 3.1 114 126 A R H X S+ 0 0 92 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.879 106.7 53.2 -61.2 -36.2 -0.8 14.0 3.1 115 127 A K H X S+ 0 0 154 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.939 109.0 48.9 -65.7 -39.1 -4.2 13.0 4.3 116 128 A A H X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.892 110.5 51.7 -65.3 -40.1 -2.5 11.0 7.3 117 129 A E H X S+ 0 0 25 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.927 106.0 53.4 -64.9 -38.9 -0.4 14.0 8.0 118 130 A A H X S+ 0 0 57 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.928 110.7 47.8 -62.5 -39.5 -3.4 16.3 8.2 119 131 A Q H X S+ 0 0 72 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.949 111.1 49.2 -69.4 -41.8 -5.0 14.0 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.3 0.885 112.6 49.4 -63.5 -38.7 -1.9 13.8 12.8 121 133 A K H ><5S+ 0 0 88 -4,-2.7 3,-1.3 2,-0.2 -1,-0.2 0.906 106.5 53.4 -65.3 -40.7 -1.6 17.5 12.8 122 134 A K H 3<5S+ 0 0 170 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.878 112.4 47.6 -61.4 -35.0 -5.2 18.0 13.7 123 135 A E T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.488 107.4-130.6 -81.0 -6.4 -4.5 15.7 16.7 124 136 A K T < 5 + 0 0 134 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.896 42.6 179.1 56.7 43.9 -1.3 17.6 17.6 125 137 A L > < - 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