==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUN-13 4LAA . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.L.WHEELER,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E.,A.C.R . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7368.0 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 . 6 4.7 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 68 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 160.6 2.4 -0.9 -8.2 2 8 A H - 0 0 154 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.985 360.0-129.6-135.6 137.7 3.2 -4.4 -6.9 3 9 A K E -A 63 0A 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.644 27.4-169.4 -87.5 142.1 4.2 -5.7 -3.6 4 10 A E E -A 62 0A 44 58,-2.7 58,-2.7 -2,-0.3 -2,-0.0 -0.936 26.0 -96.0-128.2 151.8 7.3 -8.1 -3.6 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.289 44.2 159.5 -69.0 149.5 8.7 -10.2 -0.8 6 12 A A E -A 60 0A 10 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.954 26.1-138.8-153.8 162.1 11.5 -9.3 1.5 7 13 A T E -D 20 0B 82 13,-1.8 13,-3.0 -2,-0.3 2,-0.3 -0.973 28.9-105.5-123.7 147.4 12.7 -10.5 4.9 8 14 A L E +D 19 0B 51 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.518 35.1 170.1 -66.3 132.0 13.9 -8.3 7.8 9 15 A I E - 0 0 79 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.796 68.9 -25.1 -98.1 -53.5 17.7 -8.4 8.4 10 16 A K E -D 18 0B 144 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.965 54.5-118.0-160.4 140.3 17.8 -5.5 10.9 11 17 A A E +D 17 0B 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.463 32.6 174.0 -68.3 144.4 15.9 -2.4 12.1 12 18 A I - 0 0 84 4,-1.1 2,-0.2 1,-0.4 5,-0.2 0.603 50.2 -42.2-116.8 -67.1 18.1 0.7 11.6 13 19 A D S S- 0 0 23 3,-1.9 -1,-0.4 33,-0.1 3,-0.2 -0.714 76.0 -60.7-150.8-158.6 16.1 3.9 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.874 129.7 17.6 -70.3 -28.2 12.7 5.5 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.340 116.2 66.6-128.2 12.7 12.9 5.6 8.0 16 22 A T E + E 0 29B 11 -3,-0.2 -3,-1.9 13,-0.2 -4,-1.1 -0.978 52.0 170.9-130.2 147.4 15.6 3.1 7.1 17 23 A V E -DE 11 28B 0 11,-2.0 11,-3.3 -2,-0.4 2,-0.6 -0.992 31.6-123.2-147.9 149.8 15.6 -0.7 7.5 18 24 A K E +DE 10 27B 70 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.809 39.8 170.2-100.3 120.8 17.9 -3.5 6.3 19 25 A L E -DE 8 26B 0 7,-2.7 7,-2.7 -2,-0.6 2,-0.6 -0.908 37.9-122.4-127.5 153.6 16.0 -6.1 4.3 20 26 A M E +DE 7 25B 79 -13,-3.0 -13,-1.8 -2,-0.3 2,-0.4 -0.906 36.6 179.1 -94.2 122.9 16.9 -9.1 2.2 21 27 A Y E > - E 0 24B 18 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.991 68.8 -8.0-132.2 127.3 15.3 -8.5 -1.2 22 28 A K T 3 S- 0 0 148 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.836 131.8 -57.8 48.0 36.4 15.8 -11.0 -4.1 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.552 117.3 107.3 83.6 2.1 18.2 -12.7 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.3 -0.936 71.8-116.4-119.9 139.3 20.5 -9.7 -1.3 25 31 A P E +E 20 0B 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.555 43.8 166.5 -71.9 133.6 21.0 -7.5 1.7 26 32 A M E -E 19 0B 40 -7,-2.7 -7,-2.7 -2,-0.3 2,-0.5 -0.995 36.9-126.4-143.8 150.2 19.9 -3.9 1.1 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.815 30.5-154.0 -88.8 130.7 19.2 -0.9 3.1 28 34 A F E -Ef 17 76B 0 -11,-3.3 -11,-2.0 -2,-0.5 2,-0.5 -0.892 7.2-156.8-108.5 133.4 15.8 0.6 2.3 29 35 A R E -Ef 16 77B 19 47,-3.5 49,-1.5 -2,-0.4 2,-0.3 -0.940 28.9-116.7-103.3 130.3 14.8 4.2 2.7 30 36 A H E > - f 0 78B 1 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.462 30.9-118.5 -70.1 125.7 11.1 4.7 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.3 -1,-0.1 -0.375 84.7 7.0 -59.2 145.5 9.6 6.8 0.2 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.503 107.0 93.3 70.4 12.1 7.9 10.1 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.895 50.3-160.5-133.7 162.8 8.7 10.5 4.5 34 40 A D E -H 98 0C 57 64,-1.8 64,-2.2 -2,-0.3 3,-0.1 -0.926 10.6-169.0-141.6 115.9 11.3 12.0 6.9 35 41 A T - 0 0 2 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.758 36.0 -95.9 -90.6 157.2 11.7 10.9 10.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.250 47.7-100.3 -65.7 148.3 13.9 12.8 12.9 37 43 A E > - 0 0 85 1,-0.1 3,-2.8 -24,-0.1 6,-0.3 -0.397 36.9-104.9 -65.5 155.8 17.4 11.5 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.855 123.6 53.7 -56.9 -32.0 17.9 9.3 16.4 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.493 100.7 77.8 -77.7 -3.2 19.7 12.2 18.1 40 52 A E S X S- 0 0 99 -3,-2.8 3,-2.2 1,-0.1 2,-0.0 -0.619 99.3 -71.4-105.6 168.0 16.8 14.6 17.5 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.309 121.7 8.3 -61.0 137.6 13.4 15.0 19.2 42 54 A Y T 3> S+ 0 0 43 -4,-0.1 4,-2.9 -7,-0.1 -1,-0.3 0.390 99.1 114.1 65.0 -2.4 11.0 12.1 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 -5,-0.2 0.945 76.5 44.3 -60.0 -51.3 14.0 10.3 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.883 114.0 51.3 -63.6 -35.8 14.1 7.6 19.2 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.924 110.4 48.3 -66.1 -40.1 10.3 7.2 19.2 46 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.908 112.3 49.4 -63.2 -46.1 10.3 7.0 15.4 47 59 A S H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.908 112.5 47.6 -58.1 -45.2 13.1 4.4 15.5 48 60 A A H X S+ 0 0 56 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.883 110.5 52.4 -65.7 -32.2 11.2 2.4 18.1 49 61 A F H X S+ 0 0 59 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.957 113.2 41.9 -69.8 -50.9 8.0 2.6 16.1 50 62 A T H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.915 113.6 53.6 -59.9 -46.4 9.5 1.3 12.9 51 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.916 110.3 47.2 -54.8 -51.0 11.5 -1.4 14.7 52 64 A K H X S+ 0 0 136 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.948 112.2 49.9 -58.4 -43.7 8.4 -2.7 16.4 53 65 A M H X S+ 0 0 28 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.936 117.3 38.4 -63.5 -43.8 6.4 -2.8 13.2 54 66 A V H < S+ 0 0 3 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.865 116.9 49.0 -78.6 -35.0 9.0 -4.6 11.2 55 67 A E H < S+ 0 0 93 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.818 113.0 47.5 -71.8 -30.4 10.2 -7.1 13.9 56 68 A N H < S+ 0 0 96 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.621 90.4 108.0 -86.7 -13.2 6.6 -8.1 14.8 57 69 A A < - 0 0 17 -4,-0.7 3,-0.2 -3,-0.2 -49,-0.1 -0.425 53.4-161.7 -69.9 135.4 5.6 -8.6 11.2 58 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.811 86.7 30.2 -77.0 -29.7 5.1 -12.2 9.9 59 71 A K - 0 0 114 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.986 66.8-168.6-137.4 116.6 5.4 -10.8 6.3 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.906 12.9-175.9 -95.7 141.6 7.4 -7.9 5.1 61 73 A E E -AB 5 81A 31 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.966 15.2-148.0-135.1 151.3 6.9 -6.6 1.5 62 74 A V E -AB 4 80A 0 -58,-2.7 -58,-2.7 -2,-0.3 2,-0.5 -0.936 8.9-168.6-112.2 139.8 8.5 -4.0 -0.6 63 75 A E E -AB 3 79A 8 16,-2.4 16,-3.0 -2,-0.4 -60,-0.2 -0.939 9.5-155.6-129.8 115.8 6.6 -1.9 -3.2 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.462 13.4-132.8 -83.2 155.4 8.7 0.2 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.158 35.4 -87.4 -87.9-162.6 7.2 3.2 -7.2 66 78 A K S S+ 0 0 167 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.515 104.3 47.0 -84.8 -15.4 7.4 4.0 -11.0 67 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.3 38,-0.1 0.125 105.2 -1.5-105.1-144.3 10.7 6.0 -10.8 68 80 A Q - 0 0 122 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.240 47.8-167.2 -54.0 133.0 14.1 5.6 -9.3 69 81 A R S S+ 0 0 123 1,-0.1 8,-2.2 -3,-0.1 2,-0.3 0.579 72.9 34.5-102.3 -14.8 14.5 2.4 -7.2 70 82 A T B S-G 76 0B 69 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.973 75.7-135.7-133.5 151.4 17.7 3.3 -5.5 71 83 A D > - 0 0 24 4,-2.3 3,-2.0 -2,-0.3 -2,-0.1 -0.343 42.0 -85.1 -95.5-176.8 19.1 6.6 -4.3 72 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.615 128.8 54.7 -65.9 -9.4 22.5 8.1 -4.6 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.321 120.7-106.9 -99.7 3.3 23.7 6.2 -1.5 74 86 A G S < S+ 0 0 50 -3,-2.0 2,-0.4 1,-0.3 -47,-0.3 0.614 72.0 145.6 77.6 12.5 22.5 2.8 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.3 -47,-0.1 -1,-0.3 -0.678 53.7-114.9 -80.1 141.1 19.6 2.6 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.4 -47,-3.5 -2,-0.4 2,-0.5 -0.389 23.9-145.8 -65.9 144.7 16.4 1.0 -2.0 77 89 A L E +f 29 0B 19 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.969 42.4 126.9-116.3 113.0 13.5 3.4 -2.3 78 90 A A E -f 30 0B 0 -49,-1.5 -47,-2.4 -2,-0.5 2,-0.5 -0.975 63.1-100.3-155.3 166.3 10.2 1.8 -1.6 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.4 -0.847 44.7-146.4 -90.6 130.7 6.9 1.7 0.4 80 92 A I E -B 62 0A 0 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.903 11.6-161.6-109.2 129.3 7.4 -0.9 3.1 81 93 A Y E -BC 61 86A 17 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.5 -0.931 8.6-164.6-113.2 137.7 4.5 -3.2 4.3 82 94 A A E > S-BC 60 85A 7 3,-2.8 3,-2.2 -2,-0.4 -22,-0.2 -0.976 84.8 -24.5-120.6 110.9 4.3 -5.1 7.6 83 95 A D T 3 S- 0 0 86 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.904 129.8 -49.6 48.0 45.2 1.5 -7.7 7.5 84 96 A G T 3 S+ 0 0 47 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.384 114.5 116.6 85.5 -7.8 -0.1 -5.5 4.8 85 97 A K E < -C 82 0A 113 -3,-2.2 -3,-2.8 -32,-0.1 2,-0.4 -0.873 67.9-124.8 -95.7 128.8 0.1 -2.2 6.8 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.515 13.9-158.1 -75.6 120.8 2.3 0.4 5.1 87 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.7 -2,-0.4 5,-0.3 0.898 91.3 58.9 -63.6 -40.6 5.0 1.6 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.928 111.1 40.7 -56.6 -47.3 5.5 4.8 5.6 89 101 A E H > S+ 0 0 58 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.856 112.4 55.5 -66.1 -45.7 1.8 5.8 6.2 90 102 A A H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.904 107.0 49.4 -57.7 -40.5 1.8 4.5 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.8 0.941 114.2 45.5 -66.4 -43.0 4.7 6.7 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.9 -5,-0.3 -2,-0.2 0.942 110.5 53.5 -67.1 -41.4 3.1 9.8 9.2 93 105 A R H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.0 50.3 -65.8 -27.3 -0.3 9.0 10.8 94 106 A Q T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.342 114.8-114.6 -88.1 5.6 1.4 8.8 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.5 -4,-0.2 -3,-0.2 0.830 87.3 115.7 68.5 25.7 3.1 12.1 13.8 96 108 A L S - 0 0 151 -2,-1.1 3,-2.2 3,-0.4 -36,-0.1 -0.850 35.3-100.0-103.5 139.6 9.9 13.7 -6.2 104 116 A K T 3 S+ 0 0 210 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 -0.128 108.7 23.1 -52.6 136.9 7.9 13.6 -9.5 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -39,-0.4 1,-0.1 -38,-0.3 0.299 116.4 64.1 83.2 -18.8 7.5 10.0 -10.7 106 118 A N S < S+ 0 0 11 -3,-2.2 -3,-0.4 -40,-0.2 -2,-0.1 -0.364 77.3 92.8-121.2 59.0 8.0 8.4 -7.3 107 119 A N > + 0 0 56 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.052 33.5 130.6-137.7 31.9 4.9 9.9 -5.7 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.891 83.1 38.0 -53.3 -42.7 2.1 7.3 -6.1 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.204 81.4 111.9-101.0 25.6 1.1 7.4 -2.5 110 122 A E H <> S+ 0 0 49 -3,-1.8 4,-3.1 1,-0.2 5,-0.2 0.933 77.9 47.6 -63.2 -49.1 1.6 11.1 -1.8 111 123 A Q H > S+ 0 0 177 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.904 111.1 52.0 -59.8 -41.1 -2.1 11.9 -1.4 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 113.2 44.6 -58.3 -47.6 -2.6 9.0 1.0 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.904 110.3 53.5 -69.1 -36.2 0.3 10.1 3.1 114 126 A R H X S+ 0 0 109 -4,-3.1 4,-2.3 -5,-0.2 -1,-0.2 0.897 107.4 52.7 -65.7 -33.1 -0.7 13.8 3.1 115 127 A K H X S+ 0 0 147 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.940 109.6 49.1 -65.0 -40.8 -4.2 12.7 4.4 116 128 A A H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.897 110.0 51.2 -64.8 -41.0 -2.5 10.8 7.2 117 129 A E H X S+ 0 0 27 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.925 106.4 54.3 -65.1 -40.5 -0.3 13.8 8.1 118 130 A A H X S+ 0 0 56 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 110.0 46.8 -60.7 -38.9 -3.4 16.1 8.2 119 131 A Q H X S+ 0 0 82 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 111.8 50.3 -73.2 -38.2 -5.0 13.8 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 4,-0.3 0.884 112.9 47.6 -59.1 -42.4 -1.9 13.5 12.8 121 133 A K H ><5S+ 0 0 92 -4,-2.9 3,-1.2 2,-0.2 -1,-0.2 0.902 108.9 51.8 -65.9 -41.4 -1.6 17.3 12.8 122 134 A K H 3<5S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.829 112.9 48.3 -61.8 -31.7 -5.3 17.8 13.7 123 135 A E T 3<5S- 0 0 85 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.501 107.3-131.0 -84.1 -7.9 -4.7 15.3 16.6 124 136 A K T < 5 + 0 0 138 -3,-1.2 2,-0.5 -4,-0.3 -3,-0.2 0.877 43.0 177.2 55.1 47.3 -1.5 17.2 17.6 125 137 A L > < - 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