==== 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 14-JUL-10 3NXW . 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) . 7333.0 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 . 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 . 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 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 65 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 162.6 2.1 -1.2 -7.9 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.950 360.0-133.7-130.6 138.4 3.0 -4.7 -6.8 3 9 A K - 0 0 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.766 26.3-170.4 -92.5 133.9 4.0 -6.1 -3.4 4 10 A E E -A 62 0A 44 58,-2.8 58,-2.9 -2,-0.4 -2,-0.0 -0.943 25.4 -98.7-123.0 150.0 7.0 -8.4 -3.3 5 11 A P E +A 61 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.242 43.9 159.6 -64.0 146.3 8.4 -10.6 -0.6 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.962 26.8-138.4-153.5 162.4 11.3 -9.6 1.7 7 13 A T E -D 20 0B 83 13,-1.7 13,-3.4 -2,-0.3 2,-0.2 -0.968 28.7-106.8-123.4 144.6 12.6 -10.7 5.1 8 14 A L E +D 19 0B 53 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.477 33.6 171.8 -63.8 129.6 13.8 -8.5 8.0 9 15 A I E - 0 0 68 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.772 68.5 -35.8 -97.3 -51.3 17.6 -8.5 8.5 10 16 A K E -D 18 0B 105 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.943 53.0-108.5-168.9 145.5 17.5 -5.7 11.1 11 17 A A E +D 17 0B 23 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.431 31.7 175.3 -65.2 143.9 15.9 -2.4 12.1 12 18 A I - 0 0 75 4,-1.2 2,-0.2 1,-0.5 5,-0.2 0.623 52.7 -42.8-115.0 -68.1 18.1 0.6 11.6 13 19 A D S S- 0 0 24 3,-1.9 -1,-0.5 33,-0.1 3,-0.5 -0.749 76.0 -61.0-150.0-162.0 16.2 3.8 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.864 130.2 19.7 -61.6 -31.0 12.7 5.5 11.8 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.303 115.8 63.2-129.0 14.3 12.9 5.5 8.0 16 22 A T E + E 0 29B 12 -3,-0.5 -3,-1.9 13,-0.2 -4,-1.2 -0.988 51.9 172.1-137.9 145.7 15.6 2.9 7.0 17 23 A V E -DE 11 28B 1 11,-1.9 11,-3.3 -2,-0.4 2,-0.6 -0.992 30.4-124.5-148.0 147.4 15.5 -0.8 7.5 18 24 A K E +DE 10 27B 65 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.843 39.4 168.0-101.0 122.7 17.8 -3.7 6.3 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.5 -2,-0.6 2,-0.7 -0.923 39.2-118.6-128.6 157.4 15.9 -6.4 4.5 20 26 A M E -DE 7 25B 75 -13,-3.4 -13,-1.7 -2,-0.3 2,-0.4 -0.890 36.7-178.6 -98.3 121.0 16.7 -9.3 2.4 21 27 A Y E > - E 0 24B 13 3,-2.7 3,-1.8 -2,-0.7 -15,-0.1 -0.988 69.0 -10.1-127.7 128.8 15.2 -8.7 -1.1 22 28 A K T 3 S- 0 0 148 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.832 131.6 -57.3 41.3 44.4 15.5 -11.3 -3.9 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.537 116.8 108.5 77.2 9.0 18.0 -13.0 -1.6 24 30 A Q E < S-E 21 0B 124 -3,-1.8 -3,-2.7 -5,-0.0 2,-0.2 -0.952 72.1-116.2-121.3 137.3 20.4 -10.0 -1.3 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.532 45.2 167.8 -69.4 133.5 20.9 -7.8 1.8 26 32 A M E -E 19 0B 46 -7,-2.5 -7,-2.7 -2,-0.2 2,-0.5 -0.995 36.2-128.6-148.1 143.2 19.8 -4.2 1.1 27 33 A T E -E 18 0B 49 -2,-0.3 49,-2.6 47,-0.3 2,-0.4 -0.869 28.7-155.7 -87.4 127.7 19.1 -1.1 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-1.9 -2,-0.5 2,-0.5 -0.862 6.3-156.6-104.8 136.0 15.7 0.3 2.3 29 35 A R E -Ef 16 77B 21 47,-3.7 49,-1.4 -2,-0.4 2,-0.3 -0.952 29.8-115.3-107.8 130.2 14.8 4.0 2.7 30 36 A L E > - f 0 78B 3 -15,-2.6 3,-1.0 -2,-0.5 49,-0.2 -0.474 29.3-119.4 -72.7 127.5 11.1 4.6 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.1 49,-0.1 -2,-0.3 71,-0.1 -0.345 85.4 8.6 -60.6 143.7 9.5 6.6 0.3 32 38 A L T 3 S+ 0 0 4 69,-0.5 68,-1.8 1,-0.2 2,-0.3 0.416 107.1 93.8 73.8 8.3 7.7 10.0 1.0 33 39 A V E < -H 99 0C 1 -3,-1.0 2,-0.3 66,-0.3 66,-0.2 -0.862 49.3-163.1-133.0 162.0 8.8 10.4 4.6 34 40 A D E -H 98 0C 57 64,-1.7 64,-2.2 -2,-0.3 3,-0.1 -0.891 11.0-169.4-141.3 112.7 11.4 11.9 6.9 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.712 36.5 -97.0 -89.6 157.1 11.8 10.8 10.4 36 42 A P - 0 0 18 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.268 47.9 -99.1 -65.6 153.5 14.0 12.8 12.9 37 43 A E > - 0 0 89 1,-0.1 3,-2.2 -24,-0.1 6,-0.2 -0.334 36.8-104.4 -68.4 158.7 17.6 11.5 13.2 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.869 123.1 54.5 -53.9 -37.7 18.1 9.3 16.3 39 51 A N T 3 S+ 0 0 141 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.532 101.8 78.2 -71.5 -5.6 20.0 12.2 18.0 40 52 A E S X S- 0 0 100 -3,-2.2 3,-2.2 1,-0.1 2,-0.0 -0.581 98.2 -70.3-105.9 167.5 17.0 14.6 17.4 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.292 121.1 6.2 -58.9 136.6 13.7 15.1 19.1 42 54 A Y T 3> S+ 0 0 47 -4,-0.1 4,-2.4 -7,-0.1 -1,-0.3 0.427 98.9 115.4 61.4 1.4 11.3 12.2 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 -6,-0.2 5,-0.2 0.957 75.3 44.7 -61.1 -49.9 14.1 10.4 16.8 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.896 113.8 51.4 -63.0 -39.7 14.3 7.5 19.3 45 57 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.885 110.3 48.8 -64.5 -41.5 10.5 7.2 19.2 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.924 111.9 48.2 -58.4 -48.6 10.5 7.0 15.5 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.929 112.9 50.0 -57.8 -43.2 13.2 4.3 15.5 48 60 A A H X S+ 0 0 39 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.874 109.2 50.8 -62.6 -39.1 11.3 2.4 18.1 49 61 A F H X S+ 0 0 55 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.941 113.6 43.2 -69.3 -46.4 8.0 2.6 16.2 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.910 112.8 52.9 -63.3 -46.0 9.5 1.3 13.0 51 63 A K H X S+ 0 0 98 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.920 111.2 47.0 -53.7 -48.9 11.6 -1.4 14.8 52 64 A K H X S+ 0 0 126 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.931 111.8 50.8 -63.8 -41.2 8.4 -2.7 16.6 53 65 A M H X S+ 0 0 28 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.944 117.8 36.3 -64.5 -44.2 6.4 -2.7 13.4 54 66 A V H < S+ 0 0 3 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.873 117.0 50.6 -80.7 -33.2 9.0 -4.7 11.3 55 67 A E H < S+ 0 0 94 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.822 112.8 46.9 -73.6 -31.9 10.2 -7.1 14.1 56 68 A N H < S+ 0 0 123 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.567 90.4 108.6 -84.1 -14.2 6.6 -8.1 15.1 57 69 A A < - 0 0 20 -4,-0.5 3,-0.2 -3,-0.4 -49,-0.1 -0.458 53.5-162.0 -71.4 134.1 5.6 -8.7 11.5 58 70 A K S S+ 0 0 200 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.776 86.2 29.0 -74.4 -30.7 5.0 -12.2 10.3 59 71 A K - 0 0 121 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.964 67.1-167.9-137.5 118.5 5.2 -11.0 6.7 60 72 A I E -AB 6 82A 13 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.870 11.6-171.0-101.0 140.4 7.2 -8.0 5.3 61 73 A E E -AB 5 81A 30 20,-2.1 20,-2.7 -2,-0.4 2,-0.4 -0.979 13.8-147.0-130.3 149.4 6.6 -6.8 1.8 62 74 A V E -AB 4 80A 0 -58,-2.9 -58,-2.8 -2,-0.4 2,-0.5 -0.917 11.8-171.5-109.0 133.0 8.4 -4.3 -0.5 63 75 A E E - B 0 79A 12 16,-2.3 16,-2.7 -2,-0.4 -60,-0.2 -0.938 9.0-156.1-127.1 110.8 6.5 -2.2 -3.0 64 76 A F - 0 0 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.1 -0.459 12.4-134.0 -80.0 153.1 8.5 -0.1 -5.5 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.181 35.6 -87.3 -90.5-167.8 6.9 2.9 -7.1 66 78 A K S S+ 0 0 163 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.498 104.1 43.1 -81.9 -14.8 7.1 3.8 -10.8 67 79 A G S S+ 0 0 33 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.072 104.8 1.5-106.4-142.1 10.4 5.7 -10.7 68 80 A Q - 0 0 128 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.239 46.6-171.2 -51.3 130.0 13.9 5.4 -9.2 69 81 A R S S+ 0 0 121 1,-0.1 8,-2.0 -3,-0.1 2,-0.3 0.542 72.4 39.8-103.4 -9.3 14.3 2.2 -7.2 70 82 A T B S-G 76 0B 71 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.982 75.5-141.4-132.1 145.2 17.7 3.0 -5.6 71 83 A D > - 0 0 23 4,-2.3 3,-2.1 -2,-0.3 -2,-0.0 -0.367 41.9 -85.1 -97.0-172.9 18.9 6.3 -4.4 72 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.612 129.0 54.9 -70.3 -11.7 22.4 7.8 -4.8 73 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.356 120.2-107.0 -95.7 -0.4 23.5 6.0 -1.6 74 86 A G S < S+ 0 0 50 -3,-2.1 2,-0.3 1,-0.3 -47,-0.3 0.628 72.0 144.5 81.2 7.6 22.4 2.6 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 -47,-0.1 -1,-0.3 -0.681 54.9-114.5 -75.5 139.8 19.4 2.4 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.6 -47,-3.7 -2,-0.3 2,-0.5 -0.441 24.6-145.1 -68.3 142.0 16.3 0.8 -2.0 77 89 A L E +f 29 0B 21 -8,-2.0 -12,-0.4 -49,-0.2 2,-0.3 -0.978 43.1 125.9-111.6 112.1 13.4 3.2 -2.3 78 90 A A E -f 30 0B 1 -49,-1.4 -47,-2.1 -2,-0.5 2,-0.4 -0.980 63.3-100.7-154.3 169.0 10.1 1.6 -1.5 79 91 A Y E -B 63 0A 1 -16,-2.7 -16,-2.3 -2,-0.3 2,-0.4 -0.859 43.8-150.1 -90.4 130.7 6.8 1.5 0.5 80 92 A I E -B 62 0A 1 -2,-0.4 7,-3.1 -18,-0.2 8,-0.6 -0.920 8.6-159.4-111.2 132.0 7.3 -1.2 3.2 81 93 A Y E -BC 61 86A 18 -20,-2.7 -20,-2.1 -2,-0.4 2,-0.6 -0.925 8.2-162.3-112.8 137.1 4.4 -3.3 4.6 82 94 A A E > S-BC 60 85A 7 3,-3.2 3,-2.0 -2,-0.4 -22,-0.2 -0.958 83.7 -25.6-117.9 113.6 4.2 -5.1 7.8 83 95 A D T 3 S- 0 0 84 -24,-3.0 -1,-0.2 -2,-0.6 -23,-0.1 0.926 130.3 -47.0 45.9 45.4 1.4 -7.7 7.8 84 96 A G T 3 S+ 0 0 46 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.341 115.9 114.0 87.6 -6.4 -0.4 -5.6 5.2 85 97 A K E < -C 82 0A 112 -3,-2.0 -3,-3.2 3,-0.0 2,-0.5 -0.873 68.2-123.8-103.2 127.4 0.1 -2.3 7.0 86 98 A M E > -C 81 0A 10 -2,-0.5 4,-2.0 -5,-0.3 -5,-0.3 -0.521 14.0-159.2 -71.3 121.6 2.2 0.3 5.3 87 99 A V H > S+ 0 0 2 -7,-3.1 4,-2.6 -2,-0.5 5,-0.3 0.925 90.3 56.9 -63.9 -43.2 5.1 1.5 7.6 88 100 A N H > S+ 0 0 3 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.940 112.2 40.0 -56.4 -51.3 5.6 4.7 5.7 89 101 A E H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.859 113.0 56.5 -66.1 -38.9 1.9 5.8 6.2 90 102 A A H X S+ 0 0 3 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.904 105.8 50.0 -62.5 -39.7 1.8 4.6 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 6,-0.7 0.919 113.3 46.4 -64.1 -47.0 4.8 6.7 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.3 -2,-0.2 0.946 109.4 54.0 -61.9 -43.0 3.2 9.8 9.3 93 105 A R H 3<5S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.805 108.6 50.7 -63.6 -29.5 -0.2 9.1 10.9 94 106 A Q T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.392 114.4-115.1 -88.7 5.8 1.5 8.9 14.3 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.7 2,-0.2 -3,-0.2 0.796 86.9 116.0 67.4 25.4 3.3 12.3 13.9 96 108 A L S - 0 0 156 -2,-1.0 3,-2.0 3,-0.4 -3,-0.0 -0.857 37.2 -96.0-112.6 137.7 9.7 13.5 -6.3 104 116 A K T 3 S+ 0 0 200 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.179 109.1 20.5 -51.9 138.3 7.6 13.2 -9.5 105 117 A G T 3 S+ 0 0 26 -38,-0.1 -39,-0.5 1,-0.1 -38,-0.3 0.249 115.0 67.0 81.9 -17.1 7.1 9.6 -10.5 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.318 79.6 91.1-116.1 50.6 7.8 8.1 -7.1 107 119 A N > + 0 0 51 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.075 33.6 127.6-133.7 29.7 4.7 9.6 -5.6 108 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 -3,-0.1 4,-0.2 0.897 84.3 39.5 -55.0 -41.6 1.9 7.1 -6.0 109 121 A H T 3> S+ 0 0 39 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.144 81.4 112.8 -99.1 21.9 0.9 7.2 -2.3 110 122 A E H <> S+ 0 0 48 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.935 78.0 47.3 -60.1 -45.3 1.4 11.0 -1.8 111 123 A Q H > S+ 0 0 175 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.916 112.0 49.8 -64.3 -40.3 -2.2 11.7 -1.2 112 124 A L H > S+ 0 0 71 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 114.0 47.0 -59.5 -47.7 -2.6 8.9 1.3 113 125 A A H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.921 112.2 48.5 -63.9 -44.7 0.5 10.1 3.1 114 126 A R H X S+ 0 0 107 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.880 108.2 55.1 -64.9 -32.4 -0.6 13.7 3.1 115 127 A K H X S+ 0 0 125 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.933 108.8 48.4 -66.2 -40.0 -4.0 12.7 4.4 116 128 A A H X S+ 0 0 1 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.884 109.5 52.1 -64.6 -42.6 -2.3 10.9 7.3 117 129 A E H X S+ 0 0 26 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.908 107.4 52.8 -61.1 -41.2 -0.1 13.9 8.1 118 130 A A H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.907 110.9 46.6 -59.6 -41.6 -3.2 16.2 8.2 119 131 A Q H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.951 113.3 48.5 -68.4 -46.9 -4.9 13.8 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.905 113.4 48.7 -59.0 -39.7 -1.7 13.6 12.8 121 133 A K H ><5S+ 0 0 101 -4,-3.1 3,-1.3 -5,-0.2 -1,-0.2 0.902 107.9 52.2 -63.9 -40.6 -1.4 17.4 12.7 122 134 A K H 3<5S+ 0 0 148 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.845 111.9 48.6 -68.5 -30.1 -5.1 17.9 13.6 123 135 A E T 3<5S- 0 0 101 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.478 107.1-129.3 -82.1 -4.5 -4.4 15.6 16.6 124 136 A K T < 5 + 0 0 150 -3,-1.3 2,-0.5 -4,-0.3 -3,-0.2 0.894 44.0 178.6 53.4 43.9 -1.3 17.5 17.6 125 137 A L > < - 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