==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUN-10 3NHH . COMPND 2 MOLECULE: NUCLEASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7284.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 34 26.4 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 . 13 10.1 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 2 0 2 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 7 A L 0 0 83 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 157.9 2.6 -0.5 -8.3 2 8 A H - 0 0 127 62,-0.3 62,-0.5 63,-0.1 2,-0.3 -0.985 360.0-123.7-134.9 145.9 3.3 -3.9 -6.9 3 9 A K E -A 63 0A 91 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.566 28.6-169.9 -79.0 137.6 4.4 -5.4 -3.6 4 10 A E E -A 62 0A 32 58,-2.5 58,-3.0 -2,-0.3 2,-0.1 -0.959 24.5-101.5-127.0 154.2 7.5 -7.6 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.373 43.9 152.8 -76.7 152.9 8.9 -9.8 -0.8 6 12 A A E -AB 60 21A 10 54,-1.8 54,-0.7 15,-0.1 2,-0.3 -0.943 30.6-132.8-157.1 170.5 11.8 -9.0 1.4 7 13 A T E - B 0 20A 83 13,-1.5 13,-3.0 -2,-0.3 2,-0.3 -0.954 29.3-104.1-128.1 149.1 12.9 -10.0 5.0 8 14 A L E + B 0 19A 49 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.554 34.9 171.8 -68.2 130.0 14.0 -7.8 7.8 9 15 A I E S- 0 0 75 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.761 71.6 -21.0 -97.1 -47.8 17.8 -7.9 8.4 10 16 A K E - B 0 18A 135 8,-2.2 8,-3.1 44,-0.0 2,-0.3 -0.911 55.0-123.8-163.7 130.6 17.8 -5.1 10.9 11 17 A A E + B 0 17A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.575 33.0 174.7 -60.1 130.2 15.7 -2.1 12.0 12 18 A I E - 0 0 77 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.789 49.9 -46.4-110.1 -67.5 17.9 1.0 11.7 13 19 A D E > - B 0 16A 39 3,-2.1 3,-0.6 33,-0.0 -1,-0.5 -0.841 69.9 -69.1-151.4-168.1 15.9 4.1 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.3 77,-0.1 29,-0.3 23,-0.1 0.867 130.8 41.9 -52.5 -36.8 12.6 5.8 11.6 15 21 A D T 3 S+ 0 0 4 21,-0.1 15,-2.2 20,-0.1 2,-0.3 0.693 118.4 29.5 -85.3 -27.0 13.8 6.4 8.0 16 22 A T E < -BC 13 29A 10 -3,-0.6 -3,-2.1 13,-0.2 -4,-1.5 -0.965 44.8-175.9-146.8 147.2 15.5 3.1 7.2 17 23 A E E -BC 11 28A 0 11,-1.1 11,-3.0 -2,-0.3 2,-0.6 -0.961 33.1-121.4-130.8 152.4 15.8 -0.7 7.7 18 24 A K E +BC 10 27A 73 -8,-3.1 -9,-2.7 -2,-0.3 -8,-2.2 -0.867 44.4 177.8 -86.7 124.6 18.3 -3.1 6.3 19 25 A L E -BC 8 26A 0 7,-3.3 7,-2.1 -2,-0.6 2,-0.6 -0.929 33.2-122.0-128.8 152.5 16.2 -5.6 4.3 20 26 A M E +BC 7 25A 79 -13,-3.0 -13,-1.5 -2,-0.3 2,-0.4 -0.898 36.2 178.3 -96.6 120.8 17.1 -8.6 2.2 21 27 A Y E > -BC 6 24A 20 3,-2.6 3,-1.8 -2,-0.6 -15,-0.1 -0.986 67.8 -8.9-130.5 131.5 15.6 -8.1 -1.3 22 28 A K T 3 S- 0 0 163 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.857 131.7 -58.4 45.1 36.3 16.0 -10.6 -4.2 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.559 117.0 105.9 82.2 7.3 18.4 -12.3 -1.8 24 30 A Q E < S-C 21 0A 128 -3,-1.8 -3,-2.6 -5,-0.0 -1,-0.2 -0.957 72.6-112.4-125.4 136.9 20.8 -9.4 -1.3 25 31 A P E +C 20 0A 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.479 44.8 167.5 -66.5 136.5 21.2 -7.1 1.8 26 32 A M E -C 19 0A 39 -7,-2.1 -7,-3.3 -2,-0.2 2,-0.5 -0.982 38.0-125.3-149.8 141.0 20.1 -3.5 1.2 27 33 A T E -C 18 0A 34 -2,-0.3 49,-2.8 -9,-0.3 2,-0.5 -0.777 31.7-155.1 -77.7 128.4 19.4 -0.4 3.1 28 34 A F E -Cd 17 76A 0 -11,-3.0 -11,-1.1 -2,-0.5 2,-0.5 -0.927 5.4-157.5-107.5 131.6 15.9 0.8 2.2 29 35 A R E -Cd 16 77A 18 47,-3.8 49,-1.4 -2,-0.5 2,-0.3 -0.926 26.5-116.3-107.3 129.8 14.9 4.5 2.6 30 36 A K E > - d 0 78A 1 -15,-2.2 3,-0.9 -2,-0.5 49,-0.2 -0.461 29.2-121.9 -69.1 127.4 11.2 5.2 2.9 31 37 A L T 3 S+ 0 0 10 47,-1.7 49,-0.1 -2,-0.3 71,-0.1 -0.418 84.3 7.5 -63.9 139.8 9.6 7.2 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.6 1,-0.2 2,-0.3 0.454 106.7 94.4 80.0 6.8 7.9 10.5 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.905 48.3-163.4-132.3 161.1 8.7 10.8 4.5 34 40 A D E -H 98 0B 56 64,-2.2 64,-2.2 -2,-0.3 3,-0.0 -0.928 11.1-169.3-138.6 115.4 11.1 12.3 7.0 35 41 A T - 0 0 3 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.751 37.8 -96.3 -93.8 149.9 11.4 11.2 10.6 36 42 A P - 0 0 13 0, 0.0 -22,-0.3 0, 0.0 11,-0.2 -0.379 44.3-112.3 -56.6 140.3 13.5 13.2 13.1 37 43 A E > - 0 0 90 -24,-0.1 3,-1.5 -23,-0.1 6,-0.2 -0.226 41.9 -87.2 -69.4 169.2 17.0 11.8 13.6 38 50 A F T 3 S+ 0 0 143 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.813 125.3 43.4 -57.2 -37.0 17.8 10.1 16.9 39 51 A N T 3 S+ 0 0 146 4,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.538 99.5 88.4 -88.8 -8.3 18.9 13.2 18.9 40 52 A E S X S- 0 0 101 -3,-1.5 3,-1.7 1,-0.1 2,-0.1 -0.460 98.3 -77.6 -81.0 165.3 16.1 15.4 17.6 41 53 A K T 3 S+ 0 0 154 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.359 118.8 8.7 -67.7 139.1 12.7 15.5 19.3 42 54 A Y T 3> S+ 0 0 43 -3,-0.1 4,-2.2 1,-0.1 -1,-0.3 0.479 96.8 117.6 61.4 6.0 10.5 12.4 18.7 43 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.1 -6,-0.2 -29,-0.3 0.941 76.5 43.3 -63.4 -50.4 13.6 10.8 17.0 44 56 A P H > S+ 0 0 48 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 113.6 52.0 -63.4 -38.7 13.8 8.0 19.5 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 108.2 51.6 -65.8 -38.9 10.0 7.5 19.4 46 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.953 110.5 47.8 -62.2 -49.2 10.0 7.3 15.6 47 59 A S H X S+ 0 0 19 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.902 112.3 49.5 -59.2 -39.2 12.7 4.6 15.6 48 60 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.873 110.1 51.3 -66.8 -36.8 10.9 2.6 18.3 49 61 A F H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 115.2 41.0 -66.1 -50.6 7.7 2.8 16.3 50 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.936 113.6 53.5 -59.6 -51.5 9.3 1.5 13.1 51 63 A K H X S+ 0 0 101 -4,-2.9 4,-2.4 -5,-0.3 5,-0.2 0.925 112.1 44.7 -52.9 -45.5 11.4 -1.1 14.9 52 64 A K H X S+ 0 0 139 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.941 113.2 51.2 -65.8 -45.7 8.3 -2.6 16.6 53 65 A M H X S+ 0 0 34 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.892 117.2 37.1 -59.9 -45.1 6.3 -2.5 13.4 54 66 A V H < S+ 0 0 3 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.834 116.7 51.6 -82.4 -33.1 8.8 -4.3 11.3 55 67 A E H < S+ 0 0 92 -4,-2.4 -2,-0.2 -5,-0.4 -3,-0.2 0.883 111.8 46.5 -67.9 -36.4 10.0 -6.7 14.0 56 68 A N H < S+ 0 0 104 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.721 90.8 107.4 -80.1 -20.5 6.5 -7.9 14.8 57 69 A A < - 0 0 18 -4,-0.9 3,-0.1 -5,-0.2 -3,-0.0 -0.329 55.5-159.2 -63.1 136.7 5.5 -8.4 11.2 58 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.837 85.6 32.2 -78.4 -32.8 5.1 -11.9 9.8 59 71 A K - 0 0 119 -52,-0.0 24,-3.2 2,-0.0 2,-0.4 -0.990 67.3-166.3-134.0 121.2 5.5 -10.6 6.3 60 72 A I E -AE 6 82A 13 -54,-0.7 -54,-1.8 -2,-0.4 2,-0.3 -0.935 14.3-178.5-101.7 136.7 7.6 -7.6 5.1 61 73 A E E -AE 5 81A 27 20,-2.2 20,-2.6 -2,-0.4 2,-0.4 -0.933 15.4-149.7-133.3 149.7 7.1 -6.3 1.6 62 74 A V E -AE 4 80A 0 -58,-3.0 -58,-2.5 -2,-0.3 2,-0.4 -0.957 6.5-164.0-117.6 145.5 8.6 -3.5 -0.5 63 75 A E E -AE 3 79A 7 16,-2.1 16,-2.8 -2,-0.4 -60,-0.2 -0.949 7.7-153.9-133.0 114.2 6.9 -1.5 -3.2 64 76 A F - 0 0 12 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.430 13.1-136.7 -81.8 152.6 8.9 0.6 -5.7 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.240 36.4 -86.0 -92.7-165.5 7.3 3.6 -7.3 66 78 A K S S+ 0 0 147 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.705 105.1 46.4 -77.5 -23.0 7.6 4.6 -11.1 67 79 A G S S- 0 0 31 38,-0.6 39,-0.1 1,-0.3 38,-0.1 0.247 104.8 -1.7-100.1-140.5 10.9 6.4 -10.8 68 80 A Q - 0 0 116 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.181 47.7-168.7 -56.6 134.4 14.3 6.0 -9.3 69 81 A R S S+ 0 0 114 1,-0.2 8,-2.1 -3,-0.1 2,-0.3 0.530 73.0 36.2-101.5 -14.3 14.6 2.8 -7.3 70 82 A T B S-F 76 0A 70 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.990 77.8-136.8-135.1 143.2 18.0 3.5 -5.6 71 83 A D > - 0 0 21 4,-2.5 3,-2.2 -2,-0.3 -2,-0.1 -0.260 41.7 -84.2 -90.7-171.0 19.2 6.9 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.665 130.6 53.8 -73.2 -12.0 22.6 8.4 -4.7 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.239 120.7-107.4 -96.1 6.7 23.8 6.5 -1.6 74 86 A G S < S+ 0 0 49 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.650 71.2 147.1 74.8 13.7 22.6 3.1 -3.1 75 87 A R - 0 0 69 -49,-0.1 -4,-2.5 -47,-0.1 -1,-0.3 -0.674 53.4-117.0 -78.4 134.8 19.7 3.0 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.8 -47,-3.8 -2,-0.3 2,-0.5 -0.486 24.1-144.8 -63.5 143.8 16.6 1.3 -2.1 77 89 A L E +d 29 0A 21 -8,-2.1 -12,-0.4 -49,-0.2 2,-0.3 -0.976 42.6 123.9-115.5 120.5 13.7 3.7 -2.3 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-1.7 -2,-0.5 2,-0.5 -0.979 63.0 -96.1-163.0 159.7 10.3 2.1 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.8 -16,-2.1 -2,-0.3 2,-0.4 -0.838 44.4-142.3 -84.7 136.1 7.1 2.0 0.4 80 92 A I E -E 62 0A 0 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.823 13.6-162.9-109.4 131.3 7.5 -0.5 3.2 81 93 A Y E -EG 61 86A 17 -20,-2.6 -20,-2.2 -2,-0.4 2,-0.6 -0.948 9.4-163.1-120.0 133.9 4.6 -2.8 4.3 82 94 A A E > S-EG 60 85A 8 3,-2.5 3,-1.9 -2,-0.4 -22,-0.2 -0.971 86.7 -24.5-114.5 106.1 4.4 -4.8 7.6 83 95 A D T 3 S- 0 0 75 -24,-3.2 -1,-0.2 -2,-0.6 -23,-0.1 0.926 129.2 -49.2 50.1 52.3 1.7 -7.5 7.2 84 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.359 114.4 117.6 74.2 -6.6 0.1 -5.3 4.5 85 97 A K E < -G 82 0A 148 -3,-1.9 -3,-2.5 4,-0.0 2,-0.4 -0.845 69.1-122.7 -93.1 123.3 0.1 -2.1 6.6 86 98 A M E > -G 81 0A 9 -2,-0.6 4,-2.0 -5,-0.2 -5,-0.3 -0.490 16.9-160.7 -67.4 120.1 2.2 0.7 5.0 87 99 A V H > S+ 0 0 0 -7,-3.4 4,-2.4 -2,-0.4 5,-0.2 0.892 90.0 56.4 -66.9 -40.2 4.9 1.8 7.5 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.925 111.9 43.4 -53.5 -45.2 5.5 5.1 5.7 89 101 A E H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.906 110.7 53.7 -72.8 -40.5 1.9 6.0 6.1 90 102 A A H X S+ 0 0 24 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.861 106.5 53.3 -69.0 -33.2 1.6 4.8 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 6,-0.8 0.955 113.3 42.5 -61.7 -50.9 4.5 7.0 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.9 4,-0.2 5,-0.2 0.975 110.8 55.9 -59.9 -47.9 2.9 10.1 9.2 93 105 A R H 3<5S+ 0 0 67 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.2 49.1 -56.0 -26.5 -0.5 9.2 10.6 94 106 A Q T 3<5S- 0 0 72 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.323 115.8-112.3 -98.8 4.1 1.0 9.0 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.9 32,-2.2 -4,-0.2 -3,-0.2 0.753 88.1 114.8 70.3 23.6 2.8 12.4 13.9 96 108 A L S - 0 0 149 -2,-1.1 3,-2.0 3,-0.4 -36,-0.1 -0.685 33.1 -95.6 -98.5 146.8 9.9 14.1 -6.3 104 116 A K T 3 S+ 0 0 205 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.249 109.5 15.7 -56.9 136.2 8.1 14.0 -9.6 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -38,-0.6 1,-0.1 -1,-0.3 0.427 118.0 70.4 78.8 -4.5 7.5 10.5 -10.9 106 118 A N S < S+ 0 0 11 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.338 77.2 83.9-127.5 49.9 8.2 8.9 -7.5 107 119 A N > + 0 0 52 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.007 34.8 134.3-146.8 32.8 5.1 10.1 -5.6 108 120 A T T 3 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.864 83.5 42.5 -57.6 -36.0 2.2 7.8 -6.3 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.210 80.8 110.9 -99.1 19.2 1.2 7.8 -2.6 110 122 A E H <> S+ 0 0 34 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.954 79.6 44.9 -54.0 -55.2 1.7 11.5 -1.9 111 123 A Q H > S+ 0 0 132 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.895 110.4 54.0 -62.4 -42.3 -2.0 12.3 -1.5 112 124 A L H > S+ 0 0 79 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.928 113.5 43.2 -56.4 -44.5 -2.6 9.3 0.8 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.867 109.3 56.2 -71.7 -33.3 0.2 10.3 3.1 114 126 A R H X S+ 0 0 92 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.884 107.0 50.6 -65.8 -36.6 -0.7 14.0 3.1 115 127 A K H X S+ 0 0 133 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.899 109.1 51.5 -62.4 -43.9 -4.2 13.0 4.3 116 128 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.926 110.3 48.6 -59.8 -43.3 -2.6 11.0 7.1 117 129 A E H X S+ 0 0 24 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.907 106.5 56.7 -65.8 -40.6 -0.5 14.0 8.1 118 130 A A H X S+ 0 0 38 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.934 110.5 44.7 -54.1 -45.3 -3.6 16.3 8.1 119 131 A Q H X S+ 0 0 66 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 113.3 48.9 -68.6 -45.0 -5.2 13.9 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 -1,-0.2 0.905 113.5 48.3 -58.1 -41.5 -2.1 13.6 12.8 121 133 A K H ><5S+ 0 0 102 -4,-3.2 3,-1.3 1,-0.2 -2,-0.2 0.928 110.7 50.7 -68.2 -39.0 -1.8 17.4 12.7 122 134 A K H 3<5S+ 0 0 166 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.856 111.2 48.2 -64.1 -36.3 -5.5 17.8 13.6 123 135 A E T 3<5S- 0 0 101 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.397 108.3-128.2 -83.3 1.4 -5.1 15.4 16.5 124 136 A K T < 5 - 0 0 143 -3,-1.3 2,-0.3 -4,-0.2 -3,-0.2 0.832 44.2-179.0 56.8 33.2 -2.0 17.3 17.6 125 137 A L > < - 0 0 42 -5,-2.3 3,-3.0 -6,-0.2 -1,-0.2 -0.503 44.5 -59.7 -73.9 131.0 -0.1 14.0 17.7 126 138 A N G > S+ 0 0 50 1,-0.3 3,-2.8 -2,-0.3 -31,-0.1 -0.098 135.1 30.2 45.7-107.7 3.5 13.9 18.7 127 139 A I G 3 S+ 0 0 39 -32,-2.2 -1,-0.3 1,-0.3 -31,-0.1 0.832 125.6 50.4 -49.4 -35.1 5.4 16.2 16.3 128 140 A W G < 0 0 53 -3,-3.0 -1,-0.3 -33,-0.1 -2,-0.2 0.278 360.0 360.0 -89.0 10.2 2.2 18.2 15.9 129 141 A S < 0 0 98 -3,-2.8 -4,-0.1 -4,-0.2 -5,-0.1 -0.223 360.0 360.0 -88.9 360.0 1.7 18.6 19.7