==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-NOV-05 2F0U . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 25.7 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 . 3 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.2 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 . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 20.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 2 0 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 . 2 2 1 0 2 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 0 0 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 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 6 A K 0 0 250 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.1 63.1 21.9 -8.1 2 7 A L - 0 0 51 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.205 360.0-158.9 -58.4 157.0 60.7 24.6 -7.0 3 8 A H - 0 0 105 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.982 14.2-120.8-139.9 151.4 62.1 27.7 -5.3 4 9 A K - 0 0 94 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.696 24.3-163.3 -90.3 141.2 60.7 30.4 -3.0 5 10 A E E -A 69 0A 26 64,-3.2 64,-3.0 -2,-0.3 2,-0.1 -0.951 24.1-107.9-124.2 149.3 60.7 34.0 -4.0 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.348 41.6 169.5 -74.4 151.6 60.3 37.1 -1.7 7 12 A A E -A 67 0A 14 60,-1.9 60,-0.7 15,-0.1 2,-0.5 -0.957 27.7-125.1-151.3 168.2 57.1 39.0 -1.9 8 13 A T E -B 21 0A 95 13,-2.0 13,-2.8 -2,-0.3 2,-0.1 -0.984 25.3-118.9-125.5 128.3 55.4 41.8 0.0 9 14 A L E +B 20 0A 46 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.310 34.4 166.8 -60.9 134.6 51.8 41.6 1.4 10 15 A I E - 0 0 77 9,-2.0 2,-0.3 1,-0.3 10,-0.2 0.717 66.4 -25.7-105.8 -64.9 49.5 44.2 0.0 11 16 A K E -B 19 0A 129 8,-2.0 8,-4.0 0, 0.0 2,-0.4 -0.986 48.9-130.7-154.5 140.2 46.1 42.9 1.2 12 17 A A E +B 18 0A 13 -2,-0.3 6,-0.2 6,-0.3 3,-0.1 -0.783 27.1 178.3 -85.5 132.4 44.5 39.6 2.2 13 18 A I E - 0 0 37 4,-2.4 2,-0.2 -2,-0.4 5,-0.2 0.813 56.6 -17.3-106.4 -38.5 41.2 39.4 0.3 14 19 A D E > S-B 17 0A 5 3,-2.1 3,-0.5 40,-0.1 -1,-0.4 -0.869 81.4 -75.6-153.8-178.9 39.7 36.0 1.2 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.2 83,-0.1 0.865 131.3 21.2 -57.7 -33.4 40.6 32.7 2.7 16 21 A D T 3 S+ 0 0 3 1,-0.1 15,-2.7 20,-0.1 2,-0.4 0.296 114.6 71.6-125.3 15.0 42.3 31.6 -0.5 17 22 A T E < +BC 14 30A 12 -3,-0.5 -4,-2.4 13,-0.2 -3,-2.1 -0.979 51.2 173.3-137.7 124.6 43.1 34.9 -2.3 18 23 A I E -BC 12 29A 0 11,-2.2 11,-3.2 -2,-0.4 2,-0.5 -0.973 28.4-131.7-130.9 142.6 45.7 37.4 -1.3 19 24 A K E +BC 11 28A 84 -8,-4.0 -9,-2.0 -2,-0.4 -8,-2.0 -0.877 37.2 176.0 -92.8 129.1 46.9 40.6 -3.1 20 25 A I E -BC 9 27A 1 7,-2.8 7,-3.3 -2,-0.5 2,-0.7 -0.951 36.2-123.8-136.8 146.1 50.8 40.7 -3.1 21 26 A M E -BC 8 26A 64 -13,-2.8 -13,-2.0 -2,-0.3 2,-0.5 -0.850 38.1-178.4 -89.7 113.2 53.6 42.8 -4.6 22 27 A Y E > - C 0 25A 7 3,-2.8 3,-2.1 -2,-0.7 -15,-0.1 -0.977 65.1 -17.0-124.9 119.6 55.7 40.5 -6.7 23 28 A K T 3 S- 0 0 138 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.896 131.5 -51.5 54.2 39.5 58.8 41.6 -8.5 24 29 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.474 119.4 101.6 77.7 1.3 57.6 45.1 -8.0 25 30 A Q E < S-C 22 0A 81 -3,-2.1 -3,-2.8 -5,-0.0 2,-0.3 -0.949 72.8-118.6-121.7 141.0 54.0 44.7 -9.4 26 31 A P E +C 21 0A 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.545 43.1 171.0 -69.5 130.3 50.8 44.3 -7.5 27 32 A M E -C 20 0A 37 -7,-3.3 -7,-2.8 -2,-0.3 2,-0.5 -0.971 34.6-124.3-138.1 151.4 49.2 40.9 -8.3 28 33 A T E -C 19 0A 38 -2,-0.3 55,-2.3 53,-0.3 2,-0.4 -0.852 30.6-159.3 -92.1 129.1 46.3 38.9 -7.0 29 34 A F E -Cd 18 83A 0 -11,-3.2 -11,-2.2 -2,-0.5 2,-0.4 -0.918 9.5-155.1-115.0 138.2 47.3 35.3 -6.0 30 35 A R E -Cd 17 84A 38 53,-3.1 55,-1.5 -2,-0.4 2,-0.4 -0.926 30.4-115.3-104.9 132.8 45.1 32.3 -5.6 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-0.9 -2,-0.4 55,-0.2 -0.604 34.5-118.6 -73.4 124.1 46.4 29.7 -3.2 32 37 A L T 3 S+ 0 0 13 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.307 81.9 2.7 -60.6 141.0 47.2 26.4 -5.1 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-3.0 80,-0.1 2,-0.4 0.325 104.4 97.4 75.3 4.1 45.4 23.1 -4.3 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.965 50.6-160.4-127.9 141.4 43.0 24.3 -1.6 35 40 A D E -H 105 0B 72 70,-2.8 70,-2.4 -2,-0.4 -3,-0.0 -0.975 15.8-171.2-109.0 122.4 39.4 25.4 -1.6 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.746 37.2 -94.7-102.3 158.5 38.3 27.5 1.4 37 42 A P - 0 0 12 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.470 54.8-124.9 -67.6 147.3 34.7 28.4 2.2 38 43 A E - 0 0 47 1,-0.1 9,-3.3 -24,-0.1 12,-0.3 -0.701 36.5-176.4-106.8 153.5 34.1 31.8 0.7 39 44 A T S S+ 0 0 38 7,-0.3 2,-0.2 -2,-0.3 -1,-0.1 0.487 100.1 43.3-102.9 -30.2 32.9 35.2 1.8 40 45 A K S S+ 0 0 136 10,-0.1 6,-0.1 6,-0.0 -1,-0.1 -0.457 81.9 152.1-115.8 59.0 33.1 36.5 -1.8 41 46 A H B > -I 45 0C 39 4,-1.6 4,-0.6 -2,-0.2 5,-0.0 -0.762 47.8-131.7 -92.3 133.7 31.6 33.5 -3.6 42 47 A P T 4 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.886 97.8 18.5 -44.1 -56.9 29.8 34.1 -6.8 43 48 A K T 4 S+ 0 0 175 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.952 132.5 30.5 -87.7 -58.2 26.6 32.2 -6.0 44 49 A K T 4 S- 0 0 141 1,-0.2 2,-0.9 -4,-0.0 -1,-0.1 0.806 79.9-156.9 -82.7 -35.8 26.3 31.6 -2.3 45 50 A G B < S+I 41 0C 26 -4,-0.6 -4,-1.6 2,-0.0 2,-0.6 -0.794 70.3 20.2 101.3 -96.6 28.0 34.7 -0.8 46 51 A V S S- 0 0 100 -2,-0.9 -7,-0.3 -6,-0.1 2,-0.2 -0.866 77.1-170.5-112.5 93.6 29.2 34.0 2.8 47 52 A E > - 0 0 61 -9,-3.3 3,-2.3 -2,-0.6 2,-0.0 -0.544 38.3 -73.8 -89.2 157.6 29.5 30.3 3.4 48 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.208 119.6 9.6 -55.2 122.6 30.1 28.6 6.8 49 54 A Y T 3> S+ 0 0 43 -3,-0.1 4,-3.5 -13,-0.1 5,-0.4 0.213 96.4 114.4 83.6 -5.5 33.6 28.9 8.0 50 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 -12,-0.3 -11,-0.2 0.957 78.1 44.9 -54.6 -51.7 34.3 31.4 5.2 51 56 A P H > S+ 0 0 63 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.937 115.5 49.5 -62.6 -36.5 34.8 34.3 7.7 52 57 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 111.7 46.1 -66.1 -44.5 37.0 32.0 9.8 53 58 A A H X S+ 0 0 0 -4,-3.5 4,-2.4 1,-0.2 5,-0.3 0.926 113.2 52.4 -63.6 -39.2 39.2 30.8 6.9 54 59 A S H X S+ 0 0 27 -4,-2.5 4,-2.0 -5,-0.4 -2,-0.2 0.932 109.4 46.8 -66.3 -39.1 39.5 34.4 5.8 55 60 A A H X S+ 0 0 41 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.891 110.0 55.2 -69.3 -35.5 40.6 35.7 9.2 56 61 A F H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.977 110.4 43.3 -61.8 -52.3 43.1 32.8 9.5 57 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.970 114.8 50.9 -56.0 -47.2 44.8 33.6 6.2 58 63 A K H X S+ 0 0 88 -4,-2.0 4,-2.9 -5,-0.3 5,-0.2 0.962 112.8 43.9 -57.6 -50.2 44.8 37.3 7.0 59 64 A K H X S+ 0 0 121 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.949 112.7 53.6 -61.0 -46.3 46.3 37.0 10.5 60 65 A M H < S+ 0 0 37 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.933 117.2 34.5 -57.0 -46.6 48.9 34.5 9.3 61 66 A V H >< S+ 0 0 3 -4,-2.8 3,-1.1 -5,-0.2 -1,-0.2 0.885 116.5 54.5 -82.1 -30.1 50.2 36.7 6.5 62 67 A E H 3< S+ 0 0 92 -4,-2.9 -2,-0.2 -5,-0.4 -1,-0.2 0.896 109.5 46.7 -67.3 -36.4 49.8 40.0 8.3 63 68 A N T 3< S+ 0 0 129 -4,-2.7 -1,-0.2 -5,-0.2 2,-0.2 0.331 91.5 112.2 -84.1 4.4 51.8 38.9 11.3 64 69 A A < - 0 0 23 -3,-1.1 3,-0.1 -4,-0.2 -3,-0.0 -0.476 56.8-154.9 -83.3 148.6 54.6 37.5 9.3 65 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.848 88.3 26.0 -77.3 -39.3 58.1 38.9 9.1 66 71 A K - 0 0 134 -58,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.998 63.1-167.8-130.6 130.6 58.6 37.3 5.7 67 72 A V E -AE 7 89A 14 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.3 -0.943 15.9-177.3-111.6 134.2 56.1 36.3 2.9 68 73 A E E -AE 6 88A 48 20,-2.3 20,-2.5 -2,-0.4 2,-0.4 -0.983 16.3-144.1-131.3 149.1 57.4 34.1 0.1 69 74 A V E -AE 5 87A 0 -64,-3.0 -64,-3.2 -2,-0.3 2,-0.4 -0.892 9.1-167.9-111.4 143.7 55.8 32.7 -3.1 70 75 A E E - E 0 86A 9 16,-2.1 16,-3.0 -2,-0.4 -66,-0.2 -0.934 9.5-154.4-130.1 106.2 56.5 29.3 -4.5 71 76 A F E - E 0 85A 14 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.441 15.4-132.9 -70.3 150.1 55.3 28.6 -8.1 72 77 A D - 0 0 4 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.116 33.7 -88.8 -90.7-164.1 54.6 25.0 -9.0 73 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.493 102.8 51.5 -90.3 -6.3 55.8 23.3 -12.3 74 79 A G S S- 0 0 20 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.068 108.2 -16.3-108.6-141.4 52.9 24.1 -14.6 75 80 A Q - 0 0 119 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.211 50.2-156.3 -64.9 149.6 51.0 27.3 -15.5 76 81 A R S S+ 0 0 117 -3,-0.1 8,-2.5 1,-0.1 2,-0.3 0.572 72.5 43.4-110.3 -4.3 51.6 30.1 -13.1 77 82 A T B S-F 83 0A 77 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.979 72.5-136.9-130.7 154.5 48.5 32.2 -13.7 78 83 A D > - 0 0 35 4,-2.3 3,-1.9 -2,-0.3 -2,-0.0 -0.345 43.0 -85.5 -95.7-172.5 44.9 31.2 -14.0 79 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.644 126.5 59.6 -72.6 -8.2 42.3 32.5 -16.6 80 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.360 121.1-106.0 -96.2 9.1 41.5 35.5 -14.3 81 86 A G S < S+ 0 0 51 -3,-1.9 2,-0.4 1,-0.3 -53,-0.3 0.611 73.4 146.0 80.1 8.0 45.0 36.6 -14.4 82 87 A R - 0 0 62 -55,-0.1 -4,-2.3 -53,-0.1 -1,-0.3 -0.639 52.3-116.4 -86.0 139.0 45.7 35.4 -10.8 83 88 A G E -dF 29 77A 0 -55,-2.3 -53,-3.1 -2,-0.4 2,-0.6 -0.424 23.8-143.5 -62.1 144.1 49.1 34.0 -9.8 84 89 A L E +d 30 0A 25 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.936 42.9 125.9-113.8 109.7 49.0 30.3 -8.8 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.4 -2,-0.6 2,-0.4 -0.948 61.8-101.1-154.1 169.3 51.3 29.5 -6.0 86 91 A Y E - E 0 70A 0 -16,-3.0 -16,-2.1 -2,-0.3 2,-0.4 -0.850 42.2-147.4 -91.0 133.4 52.1 28.1 -2.6 87 92 A I E - E 0 69A 0 -2,-0.4 7,-2.8 -18,-0.2 8,-0.7 -0.925 9.8-160.7-110.3 135.4 52.4 31.0 -0.1 88 93 A Y E -GE 93 68A 17 -20,-2.5 -20,-2.3 -2,-0.4 2,-0.5 -0.937 8.0-165.1-116.3 136.9 54.8 30.9 2.9 89 94 A A E > S-GE 92 67A 4 3,-3.0 3,-1.9 -2,-0.4 -22,-0.2 -0.987 83.7 -24.6-120.2 113.4 54.6 33.0 6.1 90 95 A D T 3 S- 0 0 63 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.881 129.8 -46.4 43.9 51.1 57.8 32.8 8.0 91 96 A G T 3 S+ 0 0 53 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.416 116.2 115.2 83.2 -6.8 58.6 29.4 6.5 92 97 A K E < -G 89 0A 136 -3,-1.9 -3,-3.0 4,-0.0 2,-0.5 -0.902 68.2-124.6-105.0 125.8 55.1 28.0 7.1 93 98 A M E > -G 88 0A 18 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.481 13.2-157.8 -72.0 118.4 53.0 27.1 4.1 94 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.0 -2,-0.5 5,-0.2 0.886 91.2 58.4 -60.2 -38.8 49.7 29.0 4.4 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.929 110.4 42.0 -60.8 -42.2 48.0 26.4 2.1 96 101 A E H > S+ 0 0 44 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.899 109.1 57.2 -70.2 -39.9 48.8 23.6 4.4 97 102 A A H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 6,-0.2 0.935 106.5 50.7 -57.9 -42.6 48.0 25.4 7.6 98 103 A L H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 6,-0.5 0.917 113.9 43.7 -60.0 -44.6 44.5 26.0 6.4 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 4,-0.2 -1,-0.2 0.883 110.2 55.6 -67.6 -43.2 44.0 22.4 5.5 100 105 A R H 3<5S+ 0 0 68 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.869 108.0 50.2 -61.8 -31.8 45.5 21.2 8.8 101 106 A Q T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.353 116.0-110.6 -87.3 4.5 43.0 23.4 10.7 102 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.7 2,-0.2 33,-0.2 0.858 88.9 117.1 70.4 27.5 39.9 22.0 8.9 103 108 A L S - 0 0 159 3,-0.5 3,-2.1 -2,-0.4 -77,-0.0 -0.922 30.2-101.4-115.8 111.7 45.5 19.6 -12.1 111 116 A K T 3 S+ 0 0 168 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.475 100.4 27.6 -70.7 152.5 48.8 18.2 -13.3 112 117 A P T 3 S+ 0 0 56 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.961 112.5 68.3 -92.9 17.2 51.4 19.3 -13.5 113 118 A N S < S+ 0 0 10 -3,-2.1 -3,-0.5 1,-0.2 -80,-0.1 -0.491 75.6 95.8 -88.7 70.7 50.6 21.8 -10.6 114 119 A N > + 0 0 22 -2,-1.8 3,-1.6 -5,-0.1 4,-0.3 0.165 32.6 128.0-146.4 23.2 50.4 19.1 -8.0 115 120 A T T 3 S+ 0 0 54 -3,-0.3 3,-0.4 1,-0.3 4,-0.3 0.907 84.2 34.6 -56.0 -49.0 53.8 19.0 -6.3 116 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.3 2,-0.1 5,-0.3 0.203 86.1 112.4 -92.8 22.7 52.6 19.3 -2.7 117 122 A E H <> S+ 0 0 46 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.938 76.5 45.5 -62.9 -44.4 49.4 17.3 -3.3 118 123 A Q H > S+ 0 0 125 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.940 111.8 52.2 -63.9 -46.7 50.3 14.3 -1.1 119 124 A H H > S+ 0 0 91 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.901 112.3 46.2 -54.2 -46.4 51.5 16.4 1.8 120 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.893 109.5 53.2 -68.5 -38.1 48.3 18.4 1.8 121 126 A R H X S+ 0 0 93 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.892 106.9 53.8 -66.2 -32.0 46.1 15.3 1.5 122 127 A K H X S+ 0 0 136 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.885 110.9 45.7 -62.6 -44.1 48.0 13.9 4.6 123 128 A S H X S+ 0 0 11 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.897 111.0 53.4 -67.3 -37.7 47.2 17.1 6.5 124 129 A E H X S+ 0 0 18 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.905 106.3 51.9 -63.3 -39.9 43.6 17.0 5.3 125 130 A A H X S+ 0 0 48 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.889 109.7 50.9 -65.9 -36.4 43.2 13.4 6.6 126 131 A Q H X S+ 0 0 83 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.926 108.0 50.6 -63.7 -47.3 44.5 14.5 10.0 127 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.2 0.873 111.7 49.4 -62.0 -30.0 42.1 17.4 10.3 128 133 A K H ><5S+ 0 0 95 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.933 109.6 49.5 -71.3 -46.4 39.2 15.0 9.4 129 134 A K H 3<5S+ 0 0 151 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.829 114.5 46.9 -57.5 -34.2 40.3 12.4 12.0 130 135 A E T 3<5S- 0 0 75 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.507 106.5-135.4 -87.0 -4.8 40.4 15.3 14.5 131 136 A K T < 5 + 0 0 128 -3,-1.1 2,-0.4 -4,-0.2 -3,-0.2 0.863 38.4 176.1 52.9 43.2 37.0 16.5 13.3 132 137 A L > < - 0 0 44 -5,-2.2 3,-2.6 3,-0.1 -1,-0.2 -0.620 47.3 -54.9 -81.7 130.2 38.1 20.2 13.1 133 138 A N G > S+ 0 0 51 -2,-0.4 3,-2.9 1,-0.3 -30,-0.2 -0.134 135.7 29.6 54.1-111.1 35.9 23.0 11.8 134 139 A I G 3 S+ 0 0 45 -32,-2.7 -1,-0.3 1,-0.3 -31,-0.1 0.841 128.2 47.5 -48.2 -36.4 34.7 22.0 8.3 135 140 A W G < 0 0 64 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.2 0.207 360.0 360.0 -94.0 13.4 35.0 18.4 9.4 136 141 A S < 0 0 99 -3,-2.9 -4,-0.1 -34,-0.2 -5,-0.1 -0.709 360.0 360.0 -92.2 360.0 33.2 18.8 12.8