==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEASE 11-JAN-98 1A2U . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.WYNN,P.C.HARKINS,F.M.RICHARDS,R.O.FOX . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 23.7 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 . 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 . 11 8.1 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 20.7 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 . 1 2 0 2 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 7 A L 0 0 95 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 145.0 1.1 36.7 21.2 2 8 A H - 0 0 138 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.987 360.0-130.3-133.4 134.4 4.3 38.3 20.0 3 9 A K E -A 69 0A 75 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.720 23.3-168.3 -86.8 140.5 6.8 37.0 17.3 4 10 A E E -A 68 0A 31 64,-2.6 64,-3.0 -2,-0.3 2,-0.0 -0.977 25.1-107.4-129.1 142.5 10.5 36.8 18.2 5 11 A P E +A 67 0A 93 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.322 39.1 172.8 -67.5 148.7 13.4 36.2 15.9 6 12 A A E -A 66 0A 11 60,-1.7 60,-0.6 15,-0.1 2,-0.5 -0.934 25.8-130.3-149.1 160.9 15.3 32.9 16.1 7 13 A T E -B 20 0A 95 13,-1.9 13,-3.0 -2,-0.3 58,-0.0 -0.986 26.9-115.6-123.2 127.2 18.0 31.3 13.9 8 14 A L E +B 19 0A 46 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.316 36.5 168.7 -60.3 131.9 17.7 27.8 12.6 9 15 A I E - 0 0 73 9,-2.9 2,-0.3 1,-0.2 10,-0.2 0.754 65.2 -15.2-107.6 -53.5 20.3 25.5 13.9 10 16 A K E -B 18 0A 107 8,-1.8 8,-3.0 0, 0.0 2,-0.5 -0.931 53.6-134.1-160.0 126.0 19.1 22.0 12.9 11 17 A A E +B 17 0A 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.686 26.3 177.0 -79.3 126.3 15.9 20.5 11.5 12 18 A I - 0 0 55 4,-1.4 2,-0.2 -2,-0.5 5,-0.2 0.871 54.4 -39.2 -98.5 -55.9 15.2 17.3 13.5 13 19 A D S S- 0 0 12 3,-2.4 -1,-0.3 39,-0.1 24,-0.1 -0.781 80.5 -59.7-151.4-159.9 11.9 16.0 12.2 14 20 A G S S+ 0 0 0 22,-0.4 83,-0.1 35,-0.2 23,-0.1 0.908 131.2 18.0 -61.4 -41.4 8.4 17.2 11.2 15 21 A D S S+ 0 0 6 21,-0.2 15,-2.5 20,-0.1 2,-0.4 0.392 116.5 65.8-114.1 3.3 7.6 18.8 14.5 16 22 A T E + C 0 29A 12 13,-0.2 -3,-2.4 11,-0.0 -4,-1.4 -0.984 51.9 154.1-130.8 138.1 10.9 19.3 16.3 17 23 A X E -BC 11 28A 0 11,-1.8 11,-3.4 -2,-0.4 2,-0.5 -0.960 38.0-114.1-152.1 167.4 13.9 21.5 15.5 18 24 A K E +BC 10 27A 79 -8,-3.0 -9,-2.9 -2,-0.3 -8,-1.8 -0.930 36.2 176.1-111.8 130.8 16.8 23.2 17.1 19 25 A L E -BC 8 26A 0 7,-3.3 7,-2.8 -2,-0.5 2,-0.7 -0.916 35.8-120.7-132.8 156.1 17.0 27.0 17.1 20 26 A M E +BC 7 25A 70 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.4 -0.891 42.2 177.0 -94.3 116.2 19.2 29.7 18.5 21 27 A Y E > - C 0 24A 31 3,-3.2 3,-2.2 -2,-0.7 -15,-0.1 -0.996 61.6 -14.5-128.2 127.2 16.8 31.7 20.6 22 28 A K T 3 S- 0 0 119 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.848 131.5 -48.9 51.4 40.1 17.9 34.7 22.8 23 29 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -3,-0.0 -17,-0.0 0.167 122.9 90.4 90.2 -20.0 21.5 33.7 22.4 24 30 A Q E < S-C 21 0A 79 -3,-2.2 -3,-3.2 0, 0.0 2,-0.3 -0.874 75.9-114.3-121.0 147.8 21.1 30.1 23.3 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.551 42.6 168.1 -71.0 135.1 20.5 26.8 21.3 26 32 A M E -C 19 0A 37 -7,-2.8 -7,-3.3 -2,-0.3 2,-0.4 -0.988 34.5-124.0-147.3 147.3 17.1 25.2 22.2 27 33 A T E -C 18 0A 45 -2,-0.3 55,-2.5 53,-0.3 2,-0.4 -0.800 29.9-156.1 -96.0 135.0 15.0 22.5 20.7 28 34 A F E -Cd 17 82A 0 -11,-3.4 -11,-1.8 -2,-0.4 2,-0.5 -0.890 9.0-156.7-112.5 146.0 11.5 23.5 19.9 29 35 A R E -Cd 16 83A 17 53,-3.0 55,-1.4 -2,-0.4 -13,-0.2 -0.990 30.7-113.7-120.6 129.7 8.4 21.4 19.5 30 36 A L E > - d 0 84A 2 -15,-2.5 3,-0.7 -2,-0.5 55,-0.2 -0.426 33.6-117.7 -66.7 133.1 5.6 22.8 17.4 31 37 A L T 3 S+ 0 0 11 53,-2.6 55,-0.1 1,-0.2 -1,-0.1 -0.339 83.5 4.5 -70.5 152.3 2.4 23.7 19.3 32 38 A L T 3 S+ 0 0 3 75,-0.5 74,-1.0 80,-0.2 2,-0.3 0.489 111.3 83.7 53.5 14.5 -1.0 22.0 18.7 33 39 A V E < -H 105 0B 0 -3,-0.7 2,-0.3 72,-0.3 72,-0.2 -0.908 54.4-156.2-140.7 167.3 0.2 19.4 16.1 34 40 A D E -H 104 0B 24 70,-1.7 70,-1.6 -2,-0.3 3,-0.1 -0.886 5.7-164.8-149.4 112.3 1.8 16.1 15.8 35 41 A T - 0 0 3 -2,-0.3 68,-0.2 68,-0.2 -20,-0.1 -0.667 44.8 -82.5 -90.2 152.4 3.8 14.8 12.8 36 42 A P - 0 0 4 0, 0.0 -22,-0.4 0, 0.0 -21,-0.2 -0.146 49.6-101.1 -56.5 147.6 4.4 11.1 12.5 37 43 A E + 0 0 44 1,-0.1 9,-3.1 -24,-0.1 12,-0.2 -0.408 40.4 165.7 -70.9 142.8 7.3 9.5 14.4 38 44 A T S S+ 0 0 24 7,-0.2 7,-0.2 11,-0.1 -1,-0.1 0.310 77.0 36.3-133.0 -4.4 10.6 8.6 12.7 39 45 A K S S+ 0 0 120 5,-0.2 5,-0.2 1,-0.1 4,-0.1 0.663 84.0 82.3-112.6 -89.8 12.7 8.1 15.8 40 46 A H >> - 0 0 105 1,-0.1 4,-2.8 3,-0.1 3,-2.2 0.157 63.2-142.8 -31.7 118.1 11.2 6.5 19.0 41 47 A P T 34 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.704 96.1 69.2 -56.3 -29.2 11.2 2.7 18.8 42 48 A K T 34 S+ 0 0 157 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.612 117.8 21.6 -68.2 -14.3 7.8 2.5 20.6 43 49 A K T <4 S- 0 0 82 -3,-2.2 -1,-0.2 -4,-0.1 -3,-0.1 0.609 97.6-160.5-120.0 -31.6 6.2 4.0 17.6 44 50 A G < - 0 0 26 -4,-2.8 2,-1.0 -5,-0.2 -5,-0.2 -0.325 52.4 -30.7 76.8-169.4 8.7 3.2 14.9 45 51 A V S S- 0 0 104 -7,-0.2 -7,-0.2 -4,-0.1 2,-0.2 -0.787 75.2-156.6 -84.6 105.3 8.8 5.0 11.6 46 52 A E > - 0 0 63 -9,-3.1 3,-1.8 -2,-1.0 -2,-0.1 -0.499 28.5 -83.0 -83.0 156.3 5.2 5.9 11.1 47 53 A K T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.1 -0.355 116.5 14.4 -60.7 134.5 3.7 6.6 7.6 48 54 A Y T 3> S+ 0 0 50 -13,-0.1 4,-3.5 -3,-0.1 -1,-0.3 0.296 93.9 115.7 79.2 -2.9 4.3 10.2 6.4 49 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -35,-0.2 0.958 80.0 39.8 -59.1 -55.0 6.9 10.6 9.1 50 56 A P H > S+ 0 0 61 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.812 116.1 53.2 -64.1 -31.7 9.8 11.0 6.6 51 57 A E H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 109.3 47.4 -67.1 -48.8 7.5 13.1 4.4 52 58 A A H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 5,-0.2 0.920 110.9 52.2 -60.2 -44.2 6.6 15.4 7.3 53 59 A S H X S+ 0 0 23 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.923 111.0 47.6 -58.4 -44.4 10.3 15.7 8.2 54 60 A A H X S+ 0 0 37 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.880 109.0 52.5 -65.1 -42.5 11.1 16.7 4.6 55 61 A F H X S+ 0 0 63 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.958 114.5 42.7 -58.5 -51.1 8.4 19.3 4.3 56 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.926 113.2 51.8 -60.5 -50.2 9.5 21.0 7.5 57 63 A K H X S+ 0 0 82 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.952 111.9 46.1 -54.0 -52.8 13.2 20.8 6.7 58 64 A K H X S+ 0 0 97 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.959 114.0 49.6 -55.6 -52.0 12.7 22.4 3.3 59 65 A M H < S+ 0 0 39 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.857 116.6 38.5 -56.7 -44.5 10.5 25.1 4.7 60 66 A V H >< S+ 0 0 3 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.808 114.8 52.1 -82.6 -26.5 12.8 26.2 7.5 61 67 A E H 3< S+ 0 0 88 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.781 110.5 47.8 -79.2 -26.2 16.1 25.8 5.6 62 68 A N T 3< S+ 0 0 128 -4,-1.9 -1,-0.2 -5,-0.3 2,-0.2 0.358 90.4 109.4 -94.7 4.9 15.0 28.0 2.7 63 69 A A < - 0 0 23 -3,-0.5 3,-0.1 -5,-0.1 -3,-0.0 -0.501 55.5-157.8 -82.7 147.7 13.6 30.7 4.9 64 70 A K S S+ 0 0 178 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.803 84.8 28.5 -88.2 -35.2 15.2 34.1 5.1 65 71 A K - 0 0 140 -58,-0.0 24,-2.8 -60,-0.0 2,-0.4 -0.980 63.5-169.0-132.2 135.7 13.6 34.7 8.5 66 72 A I E -AE 6 88A 14 -60,-0.6 -60,-1.7 -2,-0.4 2,-0.3 -0.942 10.2-176.0-121.7 141.5 12.4 32.5 11.3 67 73 A E E -AE 5 87A 53 20,-1.8 20,-2.6 -2,-0.4 2,-0.4 -0.994 14.1-148.3-137.8 144.1 10.2 33.6 14.2 68 74 A V E -AE 4 86A 0 -64,-3.0 -64,-2.6 -2,-0.3 2,-0.4 -0.866 8.5-166.8-112.6 143.2 8.9 31.9 17.3 69 75 A E E -AE 3 85A 12 16,-1.8 16,-2.5 -2,-0.4 -66,-0.2 -0.930 8.5-155.2-135.0 105.0 5.6 32.8 18.9 70 76 A F E - E 0 84A 14 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.414 15.0-131.5 -74.8 157.0 4.9 31.4 22.4 71 77 A D - 0 0 3 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.197 34.5 -88.1 -93.2-164.1 1.3 31.0 23.5 72 78 A K S S+ 0 0 119 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.516 104.0 51.9 -91.2 -1.6 -0.1 32.2 26.8 73 79 A G S S- 0 0 18 1,-0.3 37,-0.0 36,-0.1 2,-0.0 0.111 108.1 -14.3-105.9-140.8 0.6 29.2 29.0 74 80 A Q - 0 0 116 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.328 48.4-154.7 -64.9 144.3 3.8 27.3 29.6 75 81 A R S S+ 0 0 127 -3,-0.1 8,-2.8 -5,-0.1 2,-0.3 0.491 75.5 42.5 -98.1 -6.2 6.7 27.9 27.2 76 82 A T B S-F 82 0A 71 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.961 71.2-137.9-137.9 152.8 8.4 24.5 27.7 77 83 A D > - 0 0 33 4,-1.7 3,-2.2 -2,-0.3 4,-0.1 -0.456 47.6 -80.8 -97.7-179.4 7.2 20.9 28.0 78 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.714 128.7 56.0 -56.1 -23.4 8.6 18.3 30.5 79 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.254 120.7-105.3 -92.1 7.9 11.6 17.5 28.3 80 86 A G S < S+ 0 0 48 -3,-2.2 2,-0.3 1,-0.2 -53,-0.3 0.646 71.2 147.8 78.8 14.1 12.7 21.2 28.3 81 87 A R - 0 0 62 -55,-0.1 -4,-1.7 -4,-0.1 -1,-0.2 -0.628 52.5-114.3 -85.1 137.8 11.5 21.8 24.7 82 88 A G E -dF 28 76A 0 -55,-2.5 -53,-3.0 -2,-0.3 2,-0.7 -0.542 25.6-143.2 -70.5 134.7 10.2 25.3 23.8 83 89 A L E +d 29 0A 24 -8,-2.8 -12,-0.6 -2,-0.2 2,-0.3 -0.879 42.8 127.4-103.8 109.5 6.5 25.2 22.9 84 90 A A E -dE 30 70A 0 -55,-1.4 -53,-2.6 -2,-0.7 2,-0.5 -0.897 61.9-103.0-154.1 175.4 5.6 27.6 20.1 85 91 A Y E - E 0 69A 0 -16,-2.5 -16,-1.8 -2,-0.3 2,-0.5 -0.910 43.0-152.5-100.9 124.6 4.2 28.6 16.7 86 92 A I E - E 0 68A 1 -2,-0.5 7,-2.7 -18,-0.2 8,-0.5 -0.930 7.1-159.8-110.9 132.2 7.0 28.8 14.3 87 93 A Y E -GE 92 67A 17 -20,-2.6 -20,-1.8 -2,-0.5 2,-0.6 -0.921 6.5-162.2-111.0 133.3 6.9 31.1 11.2 88 94 A A E > S-GE 91 66A 4 3,-3.2 3,-2.1 -2,-0.4 -22,-0.2 -0.962 85.9 -22.5-114.7 110.8 9.1 30.7 8.1 89 95 A D T 3 S- 0 0 50 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.922 130.7 -48.5 51.2 47.8 9.0 34.0 6.2 90 96 A G T 3 S+ 0 0 49 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.417 115.8 116.4 76.6 -1.4 5.8 34.8 7.8 91 97 A K E < -G 88 0A 128 -3,-2.1 -3,-3.2 4,-0.0 2,-0.6 -0.881 67.9-123.7-104.3 127.4 4.2 31.5 7.1 92 98 A M E > -G 87 0A 18 -2,-0.5 4,-2.6 -5,-0.3 -5,-0.3 -0.556 13.6-159.2 -72.3 114.7 3.2 29.3 10.1 93 99 A V H > S+ 0 0 0 -7,-2.7 4,-2.4 -2,-0.6 5,-0.2 0.877 90.4 59.4 -58.0 -39.6 4.9 25.9 9.8 94 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.5 1,-0.2 -1,-0.2 0.918 111.9 38.7 -55.7 -49.5 2.3 24.3 12.2 95 101 A E H > S+ 0 0 43 -3,-0.2 4,-3.2 2,-0.2 5,-0.2 0.916 110.7 59.8 -68.4 -44.6 -0.6 25.3 9.9 96 102 A A H X S+ 0 0 17 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.911 107.7 46.0 -48.9 -50.5 1.4 24.5 6.7 97 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 6,-0.6 0.893 113.0 48.5 -62.1 -44.8 1.9 20.8 7.9 98 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 5,-0.2 0.940 107.4 56.5 -63.0 -43.4 -1.8 20.4 8.9 99 105 A R H 3<5S+ 0 0 72 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 108.2 47.7 -58.3 -33.1 -2.9 21.9 5.5 100 106 A Q T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.420 116.1-112.0 -87.4 -1.9 -0.9 19.2 3.6 101 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.8 -4,-0.3 -3,-0.2 0.868 85.7 120.2 72.7 32.2 -2.3 16.3 5.7 102 108 A L S - 0 0 150 -2,-1.4 3,-1.2 3,-0.4 -36,-0.1 -0.900 32.6 -95.4-105.3 127.8 -3.6 21.9 26.4 110 116 A K T 3 S+ 0 0 166 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.525 102.2 21.0 -79.2 150.4 -5.2 25.1 27.7 111 117 A P T 3 S+ 0 0 60 0, 0.0 2,-1.6 0, 0.0 -39,-0.6 -0.886 112.5 75.0 -90.4 20.5 -4.4 27.9 27.8 112 118 A N S < S+ 0 0 7 -3,-1.2 -3,-0.4 1,-0.2 -80,-0.2 -0.436 73.7 92.2 -86.3 62.6 -1.9 27.1 25.0 113 119 A N > + 0 0 21 -2,-1.6 3,-2.4 -5,-0.1 4,-0.3 0.229 31.5 130.9-143.4 24.4 -4.5 27.0 22.3 114 120 A T T 3 S+ 0 0 60 -3,-0.4 3,-0.3 1,-0.3 4,-0.2 0.805 84.1 38.7 -47.9 -41.3 -4.8 30.4 20.7 115 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.261 82.2 112.3 -99.3 16.7 -4.6 29.0 17.2 116 122 A E H <> S+ 0 0 34 -3,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.884 78.4 44.9 -54.6 -49.7 -6.6 25.9 17.7 117 123 A Q H > S+ 0 0 131 -4,-0.3 4,-2.6 -3,-0.3 -1,-0.2 0.862 112.2 53.1 -66.7 -34.4 -9.6 26.8 15.5 118 124 A H H > S+ 0 0 73 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.965 113.2 42.8 -63.3 -51.0 -7.4 28.1 12.8 119 125 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.852 112.4 55.7 -64.7 -33.4 -5.4 24.8 12.6 120 126 A R H X S+ 0 0 81 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.954 104.5 50.8 -67.1 -43.9 -8.6 22.9 12.9 121 127 A K H X S+ 0 0 113 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.891 111.2 50.0 -61.8 -33.5 -10.2 24.5 9.9 122 128 A S H X S+ 0 0 5 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.857 109.3 51.0 -72.3 -32.9 -7.1 23.7 7.9 123 129 A E H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.857 106.8 53.9 -70.2 -36.9 -7.2 20.1 9.1 124 130 A A H X S+ 0 0 28 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.901 109.4 49.3 -62.3 -40.9 -10.8 19.8 8.0 125 131 A Q H X S+ 0 0 66 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.895 110.8 48.4 -65.8 -43.0 -9.8 21.0 4.5 126 132 A A H <>S+ 0 0 0 -4,-1.9 5,-2.9 2,-0.2 -1,-0.2 0.884 114.4 46.6 -64.4 -40.9 -7.0 18.5 4.3 127 133 A K H ><5S+ 0 0 87 -4,-2.4 3,-2.4 3,-0.2 -2,-0.2 0.954 109.5 54.4 -63.3 -49.7 -9.3 15.7 5.4 128 134 A K H 3<5S+ 0 0 138 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 113.7 41.8 -51.7 -38.8 -12.0 16.9 2.9 129 135 A E T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.318 110.9-127.0 -93.0 4.0 -9.3 16.6 0.2 130 136 A K T < 5 - 0 0 132 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.852 41.5-177.0 52.9 43.6 -8.1 13.3 1.6 131 137 A L > < - 0 0 45 -5,-2.9 3,-3.5 3,-0.1 -1,-0.2 -0.544 44.4 -60.4 -78.9 135.7 -4.5 14.5 1.8 132 138 A N G > S+ 0 0 51 1,-0.3 3,-3.1 -2,-0.3 -30,-0.2 0.011 136.4 31.4 36.8-105.4 -1.7 12.2 3.0 133 139 A I G 3 S+ 0 0 41 -32,-2.8 -1,-0.3 1,-0.3 -31,-0.1 0.771 125.9 51.3 -47.7 -27.7 -2.6 11.2 6.5 134 140 A W G < 0 0 72 -3,-3.5 -1,-0.3 -33,-0.2 -2,-0.2 0.264 360.0 360.0 -96.5 8.2 -6.2 11.5 5.4 135 141 A S < 0 0 107 -3,-3.1 -2,-0.2 -34,-0.2 -1,-0.1 0.894 360.0 360.0 -94.7 360.0 -6.0 9.4 2.3