==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 18-FEB-93 1STY . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR L.J.KEEFE,E.E.LATTMAN . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 67.9 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 . 31 22.6 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 1.5 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 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 19.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.4 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 1 2 0 0 0 0 0 1 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 . 1 2 1 1 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 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 0 193 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.8 -1.5 39.1 22.6 2 7 A L - 0 0 39 68,-0.1 2,-0.3 113,-0.0 70,-0.1 -0.633 360.0-173.8 -78.5 151.9 0.5 36.3 20.9 3 8 A H - 0 0 100 68,-0.3 68,-0.5 -2,-0.2 2,-0.4 -0.985 23.5-117.0-144.8 150.8 3.5 37.7 19.0 4 9 A K - 0 0 89 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.725 27.4-168.7 -92.4 137.0 6.1 36.2 16.7 5 10 A E E -A 69 0A 21 64,-2.9 64,-2.7 -2,-0.4 -2,-0.0 -0.953 25.9-104.9-122.0 143.3 9.8 36.3 17.8 6 11 A P E +A 68 0A 105 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.303 39.7 168.4 -67.0 150.6 12.8 35.5 15.6 7 12 A A E -A 67 0A 11 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.942 27.2-127.5-151.3 166.8 14.8 32.3 15.9 8 13 A T E -B 21 0A 95 13,-2.1 13,-2.8 -2,-0.3 2,-0.2 -0.978 26.3-114.0-122.9 134.0 17.4 30.7 13.7 9 14 A L E +B 20 0A 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.457 33.3 170.1 -67.3 130.8 17.3 27.1 12.4 10 15 A I E - 0 0 82 9,-2.7 2,-0.3 1,-0.2 10,-0.2 0.742 68.6 -34.2 -97.8 -62.3 19.9 24.8 13.8 11 16 A K E -B 19 0A 116 8,-1.5 8,-3.2 50,-0.0 2,-0.3 -0.970 48.1-122.0-163.0 145.3 18.4 21.5 12.4 12 17 A A E -B 18 0A 13 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.693 25.0-177.8 -84.1 134.5 15.1 19.8 11.5 13 18 A I - 0 0 44 4,-2.1 2,-0.2 1,-0.4 5,-0.2 0.844 60.0 -33.9-101.0 -50.0 14.8 16.5 13.4 14 19 A D S S- 0 0 11 3,-1.8 -1,-0.4 39,-0.1 3,-0.2 -0.744 84.3 -60.3-150.5-158.1 11.5 15.1 12.1 15 20 A G S S+ 0 0 0 22,-0.4 83,-0.1 -2,-0.2 23,-0.1 0.850 130.0 19.2 -66.7 -35.3 8.1 16.4 11.0 16 21 A D S S+ 0 0 6 21,-0.2 15,-2.6 20,-0.1 2,-0.4 0.387 113.1 69.2-119.9 6.7 7.1 18.1 14.3 17 22 A T E + C 0 30A 12 13,-0.2 -4,-2.1 -3,-0.2 -3,-1.8 -0.991 52.7 166.5-131.2 126.0 10.4 18.7 16.2 18 23 A V E -BC 12 29A 2 11,-2.4 11,-3.2 -2,-0.4 2,-0.5 -0.973 31.3-128.1-137.1 145.5 13.1 21.1 15.2 19 24 A K E +BC 11 28A 78 -8,-3.2 -9,-2.7 -2,-0.3 -8,-1.5 -0.885 34.7 176.0 -99.0 131.7 16.1 22.6 17.0 20 25 A L E -BC 9 27A 0 7,-2.8 7,-2.5 -2,-0.5 2,-0.7 -0.892 36.3-122.1-131.3 153.8 16.3 26.3 16.9 21 26 A M E -BC 8 26A 77 -13,-2.8 -13,-2.1 -2,-0.3 2,-0.5 -0.921 37.6-178.2 -91.9 118.2 18.6 29.0 18.4 22 27 A Y E > - C 0 25A 22 3,-2.8 3,-2.1 -2,-0.7 -15,-0.1 -0.990 66.0 -18.5-128.8 119.3 16.2 31.1 20.4 23 28 A K T 3 S- 0 0 154 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.862 128.0 -51.4 49.6 45.7 17.6 34.2 22.2 24 29 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.317 119.2 109.6 80.5 -6.8 21.1 32.9 22.0 25 30 A Q E < -C 22 0A 116 -3,-2.1 -3,-2.8 2,-0.0 2,-0.3 -0.870 68.1-130.1-105.5 123.5 20.1 29.5 23.5 26 31 A P E +C 21 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.550 41.8 167.0 -62.5 128.0 19.9 26.1 21.5 27 32 A M E -C 20 0A 37 -7,-2.5 -7,-2.8 -2,-0.3 2,-0.4 -0.998 38.4-123.5-146.0 150.1 16.6 24.5 22.2 28 33 A T E -C 19 0A 31 -2,-0.3 55,-2.8 53,-0.3 2,-0.4 -0.771 30.0-159.5 -90.3 134.6 14.4 21.8 20.8 29 34 A F E -Cd 18 83A 0 -11,-3.2 -11,-2.4 -2,-0.4 2,-0.4 -0.954 7.2-159.9-115.6 142.0 10.9 23.0 19.7 30 35 A R E -Cd 17 84A 19 53,-3.0 55,-1.5 -2,-0.4 -13,-0.2 -0.965 31.4-111.2-119.9 129.3 7.9 20.8 19.3 31 36 A L E > - d 0 85A 3 -15,-2.6 3,-0.9 -2,-0.4 55,-0.2 -0.457 34.0-117.6 -65.2 126.1 5.1 22.2 17.1 32 37 A L T 3 S+ 0 0 11 53,-2.7 55,-0.1 -2,-0.2 -1,-0.1 -0.350 85.2 4.0 -61.9 145.1 2.0 23.0 19.1 33 38 A L T 3 S+ 0 0 4 75,-0.5 74,-1.4 80,-0.1 2,-0.3 0.440 109.1 86.9 64.9 11.4 -1.3 21.3 18.3 34 39 A V E < -H 106 0B 1 -3,-0.9 2,-0.3 72,-0.3 72,-0.2 -0.863 52.8-156.8-134.4 163.9 -0.1 18.7 15.7 35 40 A D E -H 105 0B 32 70,-1.8 70,-1.9 -2,-0.3 3,-0.1 -0.920 7.6-164.7-140.1 115.9 1.4 15.3 15.5 36 41 A T - 0 0 2 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.710 43.8 -83.5 -87.9 156.5 3.4 14.2 12.5 37 42 A P - 0 0 13 0, 0.0 -22,-0.4 0, 0.0 -21,-0.2 -0.163 52.1 -98.2 -60.5 152.5 4.0 10.4 12.2 38 43 A E + 0 0 34 1,-0.1 9,-2.8 -24,-0.1 12,-0.2 -0.418 42.6 164.3 -74.8 139.6 6.8 8.8 14.2 39 44 A T S S+ 0 0 29 7,-0.2 7,-0.1 11,-0.2 -1,-0.1 0.389 75.2 37.2-126.5 -9.7 10.2 8.0 12.6 40 45 A K S S+ 0 0 130 5,-0.2 6,-0.1 1,-0.1 4,-0.1 0.787 84.7 88.2-114.3 -40.7 12.4 7.5 15.7 41 46 A H > - 0 0 103 4,-0.2 4,-2.2 1,-0.1 -1,-0.1 -0.529 62.0-143.8 -77.8 126.2 10.7 5.8 18.6 42 47 A P T 4 S+ 0 0 118 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 0.891 95.0 62.3 -54.6 -48.8 10.9 1.8 18.7 43 48 A K T 4 S+ 0 0 151 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.787 117.2 26.8 -83.6 99.0 7.4 1.4 20.1 44 49 A K T 4 S- 0 0 88 -2,-1.3 -1,-0.2 2,-0.1 -6,-0.1 -0.529 96.3-158.3 145.1 -45.5 5.6 3.0 17.2 45 50 A G < - 0 0 30 -4,-2.2 2,-0.9 2,-0.1 -4,-0.2 -0.227 53.4 -31.4 72.6-169.7 8.2 2.2 14.5 46 51 A V S S- 0 0 99 -7,-0.1 -7,-0.2 -6,-0.1 2,-0.2 -0.751 75.3-150.0 -82.1 109.5 8.3 4.3 11.3 47 52 A E > - 0 0 65 -9,-2.8 3,-2.0 -2,-0.9 -2,-0.1 -0.526 29.0 -85.0 -81.1 155.9 4.7 5.2 10.9 48 53 A K T 3 S+ 0 0 149 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.327 116.7 15.5 -62.7 138.3 3.3 5.8 7.5 49 54 A Y T 3> S+ 0 0 30 -3,-0.1 4,-2.7 -13,-0.1 -1,-0.3 0.279 93.2 113.6 73.5 -0.7 3.9 9.4 6.2 50 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.6 -12,-0.2 -35,-0.2 0.963 79.1 43.7 -59.8 -53.3 6.5 9.9 8.9 51 56 A P H > S+ 0 0 62 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.916 114.8 50.4 -56.1 -40.5 9.4 10.2 6.4 52 57 A E H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 110.9 48.1 -67.1 -44.9 7.3 12.4 4.1 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.939 111.7 50.2 -63.7 -46.3 6.4 14.8 7.0 54 59 A S H X S+ 0 0 23 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.945 112.3 47.3 -56.3 -48.4 10.0 15.0 8.1 55 60 A A H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.915 111.8 51.2 -59.5 -42.3 11.0 15.8 4.5 56 61 A F H X S+ 0 0 57 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.940 112.8 43.5 -59.4 -54.0 8.3 18.4 4.2 57 62 A T H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.929 113.3 52.3 -60.5 -43.9 9.2 20.2 7.5 58 63 A K H X S+ 0 0 81 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.931 111.5 46.6 -58.1 -47.7 13.0 20.1 6.7 59 64 A K H X S+ 0 0 100 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.955 113.0 50.0 -59.3 -47.6 12.4 21.6 3.2 60 65 A M H < S+ 0 0 39 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.890 117.7 36.0 -59.6 -49.2 10.1 24.3 4.6 61 66 A V H >< S+ 0 0 4 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.856 116.4 53.4 -78.1 -31.8 12.5 25.5 7.4 62 67 A E H 3< S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.812 111.7 44.6 -73.6 -31.7 15.7 25.1 5.5 63 68 A N T 3< S+ 0 0 124 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.438 91.6 111.0 -92.0 5.8 14.6 27.1 2.6 64 69 A A < - 0 0 23 -3,-0.5 3,-0.1 -4,-0.3 -3,-0.0 -0.432 56.1-155.5 -78.5 146.0 13.1 29.9 4.7 65 70 A K S S+ 0 0 186 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.827 86.0 26.8 -75.7 -40.5 14.6 33.4 4.9 66 71 A K - 0 0 139 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.995 65.2-162.8-131.8 125.9 13.1 34.0 8.3 67 72 A I E -AE 7 89A 14 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.903 15.0-178.8-105.9 136.2 12.1 31.6 11.0 68 73 A E E -AE 6 88A 50 20,-2.3 20,-3.1 -2,-0.4 2,-0.4 -0.988 13.3-155.1-130.5 144.7 9.7 32.9 13.8 69 74 A V E -AE 5 87A 0 -64,-2.7 -64,-2.9 -2,-0.3 2,-0.4 -0.904 4.1-165.4-114.6 145.8 8.3 31.2 16.9 70 75 A E E - E 0 86A 10 16,-2.3 16,-2.6 -2,-0.4 -66,-0.2 -0.941 10.8-151.5-130.9 108.9 5.1 32.2 18.5 71 76 A F E - E 0 85A 10 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.398 16.4-128.6 -70.3 157.8 4.5 30.9 22.0 72 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.143 34.6 -84.2 -92.8-160.2 0.9 30.4 23.1 73 78 A K S S+ 0 0 95 39,-0.6 40,-0.1 -2,-0.1 3,-0.1 0.533 105.1 36.1 -87.7 -13.8 -0.8 31.6 26.3 74 79 A G S S+ 0 0 23 1,-0.3 -2,-0.1 38,-0.0 37,-0.0 0.042 108.2 3.1-110.8-135.5 0.2 28.8 28.7 75 80 A Q - 0 0 135 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.3 -0.188 48.9-160.0 -54.5 134.8 3.3 26.6 29.2 76 81 A R S S+ 0 0 112 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.562 74.5 37.0 -97.6 -9.2 6.2 27.4 26.9 77 82 A T B S-F 83 0A 67 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.952 74.5-134.6-133.6 155.2 8.0 24.0 27.3 78 83 A D > - 0 0 31 4,-2.1 3,-2.3 -2,-0.3 -2,-0.0 -0.421 45.6 -81.5 -92.7-171.6 6.7 20.5 27.7 79 84 A K T 3 S+ 0 0 179 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.731 128.9 57.0 -65.7 -22.6 7.9 17.8 30.2 80 85 A Y T 3 S- 0 0 166 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.312 121.1-105.7 -87.0 5.2 10.9 16.9 28.0 81 86 A G S < S+ 0 0 47 -3,-2.3 2,-0.4 1,-0.3 -53,-0.3 0.554 72.3 146.1 82.6 8.8 12.1 20.6 28.0 82 87 A R - 0 0 61 -55,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.649 53.8-116.7 -84.1 132.5 10.9 21.2 24.4 83 88 A G E -dF 29 77A 0 -55,-2.8 -53,-3.0 -2,-0.4 2,-0.7 -0.424 24.7-142.0 -63.2 137.3 9.7 24.7 23.6 84 89 A L E +d 30 0A 26 -8,-2.6 -12,-0.5 -55,-0.2 2,-0.3 -0.913 42.6 135.1-105.6 112.1 6.0 24.6 22.6 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.7 -2,-0.7 2,-0.5 -0.939 60.5-109.0-150.6 166.6 5.3 27.0 19.8 86 91 A Y E - E 0 70A 0 -16,-2.6 -16,-2.3 -2,-0.3 2,-0.4 -0.894 44.3-150.6 -89.9 130.8 3.7 27.8 16.4 87 92 A I E - E 0 69A 1 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.943 8.4-159.0-114.1 135.5 6.7 28.0 14.0 88 93 A Y E -GE 93 68A 16 -20,-3.1 -20,-2.3 -2,-0.4 2,-0.6 -0.940 8.9-163.9-116.5 132.3 6.6 30.3 11.0 89 94 A A E > S-GE 92 67A 2 3,-3.0 3,-2.2 -2,-0.4 -22,-0.2 -0.977 87.3 -22.7-117.1 108.8 8.8 29.9 7.9 90 95 A D T 3 S- 0 0 46 -24,-2.7 -1,-0.2 -2,-0.6 -23,-0.1 0.885 128.9 -50.3 47.6 49.9 8.5 33.2 6.0 91 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.379 115.4 115.7 76.5 -2.9 5.3 34.0 7.6 92 97 A K E < -G 89 0A 119 -3,-2.2 -3,-3.0 4,-0.0 2,-0.4 -0.872 68.6-125.1 -97.4 125.2 3.8 30.6 6.8 93 98 A M E > -G 88 0A 14 -2,-0.5 4,-2.7 -5,-0.3 -5,-0.3 -0.546 11.7-156.4 -70.9 122.9 3.0 28.4 9.9 94 99 A V H > S+ 0 0 1 -7,-2.9 4,-2.6 -2,-0.4 5,-0.3 0.929 93.9 57.9 -64.6 -42.5 4.7 25.1 9.5 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.921 111.2 41.7 -54.2 -44.7 2.1 23.6 11.9 96 101 A E H > S+ 0 0 51 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.934 111.7 54.6 -71.2 -45.9 -0.8 24.7 9.6 97 102 A A H X S+ 0 0 19 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.894 108.6 48.9 -56.3 -44.9 1.1 23.7 6.4 98 103 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-0.8 0.924 113.4 46.3 -59.2 -46.4 1.6 20.1 7.7 99 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.6 -5,-0.3 -2,-0.2 0.930 110.7 52.8 -65.4 -42.4 -2.0 19.7 8.7 100 105 A R H 3<5S+ 0 0 69 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.831 109.6 49.8 -62.9 -34.8 -3.2 21.2 5.4 101 106 A Q T 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.409 114.3-116.4 -80.1 -2.3 -1.0 18.6 3.5 102 107 A G T < 5S+ 0 0 0 -3,-1.6 33,-2.8 -4,-0.3 -3,-0.2 0.848 86.1 117.9 69.0 29.7 -2.5 15.7 5.6 103 108 A L S - 0 0 154 -2,-0.9 3,-1.6 3,-0.5 -77,-0.0 -0.976 34.0-100.3-116.6 116.5 -4.0 21.2 26.1 111 116 A K T 3 S+ 0 0 160 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.468 102.6 30.7 -67.0 148.9 -5.7 24.4 27.1 112 117 A P T 3 S+ 0 0 68 0, 0.0 2,-1.7 0, 0.0 -39,-0.6 -0.951 113.0 68.6 -85.7 12.3 -4.8 27.3 27.4 113 118 A N S < S+ 0 0 9 -3,-1.6 -3,-0.5 1,-0.2 -80,-0.1 -0.328 75.0 94.7 -87.7 62.0 -2.3 26.5 24.6 114 119 A N > + 0 0 33 -2,-1.7 3,-1.9 -5,-0.1 4,-0.4 0.154 33.6 128.4-137.0 29.2 -5.0 26.2 22.0 115 120 A T T 3 S+ 0 0 56 -3,-0.3 3,-0.3 1,-0.3 4,-0.3 0.874 85.3 35.5 -61.1 -37.9 -5.3 29.6 20.3 116 121 A H T 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.331 88.1 105.5 -98.6 14.3 -5.0 28.3 16.8 117 122 A E H <> S+ 0 0 43 -3,-1.9 4,-2.9 1,-0.2 5,-0.3 0.900 77.6 50.2 -60.5 -43.3 -7.0 25.1 17.5 118 123 A Q H >>S+ 0 0 172 -4,-0.4 4,-2.4 -3,-0.3 5,-0.6 0.956 113.4 44.9 -66.3 -45.1 -10.2 26.1 15.7 119 124 A H H >>S+ 0 0 60 -4,-0.3 5,-1.9 1,-0.2 4,-1.6 0.924 114.9 48.1 -62.9 -44.4 -8.4 27.2 12.5 120 125 A L H <>S+ 0 0 0 -4,-2.5 5,-3.1 3,-0.2 6,-0.3 0.941 122.2 34.2 -65.3 -40.2 -6.2 24.1 12.4 121 126 A R H <>S+ 0 0 102 -4,-2.9 5,-1.6 -5,-0.2 -2,-0.2 0.987 125.3 37.0 -74.6 -57.7 -9.2 21.7 13.0 122 126AA G H <5S+ 0 0 57 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.749 132.9 19.2 -70.7 -30.4 -12.0 23.5 11.2 123 127 A K T XS+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.3 0.888 112.4 50.5 -61.7 -39.6 -7.0 17.8 4.1 129 133 A K H ><5S+ 0 0 93 -4,-2.6 3,-1.7 3,-0.2 -2,-0.2 0.962 108.5 50.7 -59.5 -53.2 -9.7 15.3 5.2 130 134 A K H 3<5S+ 0 0 146 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.850 113.4 45.6 -54.7 -41.1 -12.1 16.3 2.3 131 135 A E T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.487 107.8-129.4 -81.6 -3.9 -9.3 15.9 -0.2 132 136 A K T < 5 - 0 0 144 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.2 0.916 41.5-175.6 57.5 45.4 -8.3 12.6 1.3 133 137 A L > < - 0 0 44 -5,-2.7 3,-2.7 3,-0.1 -1,-0.2 -0.651 41.8 -58.4 -85.2 127.0 -4.7 13.7 1.5 134 138 A N G > S+ 0 0 52 -2,-0.4 3,-2.6 1,-0.3 -31,-0.2 -0.174 135.6 27.9 50.4-102.3 -1.8 11.5 2.6 135 139 A I G 3 S+ 0 0 37 -33,-2.8 -1,-0.3 1,-0.3 -32,-0.1 0.876 126.5 52.7 -57.4 -28.4 -2.7 10.3 6.2 136 140 A W G < 0 0 53 -3,-2.7 -1,-0.3 -34,-0.2 -2,-0.3 0.312 360.0 360.0 -89.3 8.4 -6.3 10.8 5.2 137 141 A S < 0 0 97 -3,-2.6 -4,-0.1 -35,-0.2 -5,-0.1 -0.648 360.0 360.0 -83.4 360.0 -6.0 8.6 2.0