==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-DEC-97 2NUC . 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) . 7315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 68.1 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 . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.9 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 98 0, 0.0 2,-0.4 0, 0.0 70,-0.1 0.000 360.0 360.0 360.0 160.4 1.0 36.9 21.1 2 8 A H - 0 0 139 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.978 360.0-136.9-125.8 132.6 4.4 38.4 20.1 3 9 A K E -A 69 0A 77 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.683 20.9-169.0 -86.8 145.1 6.7 37.0 17.4 4 10 A E E -A 68 0A 34 64,-2.3 64,-3.1 -2,-0.3 -2,-0.0 -0.993 24.8-106.5-135.2 142.7 10.5 36.9 18.1 5 11 A P E +A 67 0A 94 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.293 38.8 172.5 -66.5 148.6 13.4 36.2 15.8 6 12 A A E -A 66 0A 10 60,-1.8 60,-0.6 15,-0.1 2,-0.5 -0.931 25.7-129.9-148.9 162.0 15.3 32.9 16.0 7 13 A T E -B 20 0A 94 13,-1.6 13,-2.7 -2,-0.3 2,-0.1 -0.987 25.8-116.4-124.0 126.7 18.0 31.3 13.9 8 14 A L E +B 19 0A 43 -2,-0.5 11,-0.2 11,-0.2 3,-0.1 -0.364 36.3 168.3 -62.2 128.4 17.7 27.8 12.6 9 15 A I E - 0 0 73 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.775 67.0 -16.2-103.4 -56.4 20.4 25.5 14.0 10 16 A K E -B 18 0A 120 8,-1.8 8,-3.4 0, 0.0 2,-0.4 -0.966 54.4-135.7-155.0 133.0 19.2 22.1 12.9 11 17 A A E +B 17 0A 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.754 24.7 178.2 -87.0 135.4 15.9 20.6 11.7 12 18 A I - 0 0 55 4,-1.7 2,-0.2 1,-0.4 5,-0.2 0.846 53.6 -34.8-103.8 -62.9 15.2 17.3 13.4 13 19 A D S S- 0 0 11 3,-2.1 -1,-0.4 39,-0.1 3,-0.3 -0.762 83.4 -60.4-145.5-164.5 11.9 15.9 12.2 14 20 A G S S+ 0 0 0 22,-0.4 83,-0.1 35,-0.3 23,-0.1 0.837 131.2 17.4 -56.4 -35.6 8.5 17.2 11.2 15 21 A D S S+ 0 0 6 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.396 115.0 67.6-121.6 4.9 7.7 18.9 14.5 16 22 A T E + C 0 29A 12 -3,-0.3 -3,-2.1 13,-0.2 -4,-1.7 -0.983 51.1 153.4-131.3 138.1 11.0 19.3 16.4 17 23 A X E -BC 11 28A 0 11,-1.8 11,-3.3 -2,-0.4 2,-0.5 -0.967 39.1-112.4-154.4 165.9 14.0 21.5 15.6 18 24 A K E +BC 10 27A 52 -8,-3.4 -9,-2.8 -2,-0.3 -8,-1.8 -0.918 36.9 177.0-109.0 129.4 16.9 23.2 17.2 19 25 A L E -BC 8 26A 0 7,-3.3 7,-2.6 -2,-0.5 2,-0.8 -0.921 35.3-121.4-131.8 154.2 17.0 27.0 17.2 20 26 A M E +BC 7 25A 72 -13,-2.7 -13,-1.6 -2,-0.3 2,-0.5 -0.878 40.9 179.7 -92.4 111.9 19.2 29.7 18.6 21 27 A Y E > - C 0 24A 27 3,-3.2 3,-2.2 -2,-0.8 -15,-0.1 -0.986 63.3 -16.8-123.5 123.0 16.9 31.7 20.8 22 28 A K T 3 S- 0 0 115 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.880 130.9 -50.4 54.3 39.2 18.0 34.8 22.8 23 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.238 122.2 98.8 87.8 -16.6 21.6 33.7 22.3 24 30 A Q E < S-C 21 0A 80 -3,-2.2 -3,-3.2 0, 0.0 -1,-0.2 -0.880 72.6-122.5-114.0 136.4 21.0 30.1 23.5 25 31 A P E +C 20 0A 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.486 43.1 165.3 -67.1 143.5 20.6 26.9 21.4 26 32 A M E -C 19 0A 36 -7,-2.6 -7,-3.3 -2,-0.1 2,-0.4 -0.991 36.6-116.8-158.6 150.6 17.3 25.2 22.3 27 33 A T E -C 18 0A 45 -2,-0.3 55,-2.9 53,-0.3 2,-0.3 -0.798 30.0-159.2 -96.9 137.6 15.0 22.6 20.9 28 34 A F E -Cd 17 82A 0 -11,-3.3 -11,-1.8 -2,-0.4 2,-0.4 -0.891 8.3-159.4-115.3 149.3 11.5 23.6 19.9 29 35 A R E -Cd 16 83A 16 53,-3.0 55,-1.4 -2,-0.3 -13,-0.2 -0.997 31.4-110.7-128.6 130.2 8.4 21.5 19.5 30 36 A L E > - d 0 84A 2 -15,-2.5 3,-0.8 -2,-0.4 55,-0.2 -0.408 33.6-119.1 -65.6 131.4 5.5 22.8 17.4 31 37 A L T 3 S+ 0 0 10 53,-2.4 55,-0.1 1,-0.2 -1,-0.1 -0.410 84.7 3.1 -70.5 146.1 2.4 23.7 19.3 32 38 A L T 3 S+ 0 0 3 75,-0.4 74,-1.2 80,-0.2 2,-0.3 0.495 110.5 87.1 57.9 15.2 -1.0 21.9 18.6 33 39 A V E < -H 105 0B 1 -3,-0.8 2,-0.4 72,-0.3 72,-0.2 -0.926 53.2-157.5-138.5 163.5 0.3 19.5 16.0 34 40 A D E -H 104 0B 26 70,-1.8 70,-1.9 -2,-0.3 3,-0.1 -0.944 6.3-165.9-144.4 115.3 1.8 16.1 15.7 35 41 A T - 0 0 2 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.713 43.9 -82.4 -92.9 155.2 3.8 14.9 12.7 36 42 A P - 0 0 4 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.228 50.0-102.1 -61.2 144.9 4.5 11.1 12.4 37 43 A E + 0 0 44 1,-0.1 9,-2.6 -24,-0.1 12,-0.2 -0.357 38.1 168.7 -68.5 142.8 7.4 9.5 14.4 38 44 A T S S+ 0 0 29 7,-0.2 7,-0.2 11,-0.1 -1,-0.1 0.413 75.1 34.2-128.6 -13.1 10.7 8.7 12.7 39 45 A K S S+ 0 0 99 5,-0.2 5,-0.4 1,-0.1 4,-0.1 0.416 82.0 80.8-107.5-113.6 12.7 8.0 15.9 40 46 A H >> - 0 0 100 1,-0.2 3,-2.6 3,-0.1 4,-2.4 0.518 66.1-140.4 -4.1 101.0 11.4 6.4 19.1 41 47 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.656 97.9 66.3 -46.1 -28.4 11.2 2.6 18.5 42 48 A K T 34 S+ 0 0 181 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 0.833 114.8 28.8 -66.3 -34.9 7.9 2.3 20.4 43 49 A K T <4 S- 0 0 101 -3,-2.6 -1,-0.2 -4,-0.1 -3,-0.1 0.785 102.8-160.8 -91.6 -34.6 6.2 4.4 17.7 44 50 A G < - 0 0 23 -4,-2.4 2,-1.3 -5,-0.4 -5,-0.2 -0.147 46.6 -40.0 76.9 177.9 8.6 3.2 14.9 45 51 A V S S- 0 0 105 -7,-0.2 -7,-0.2 -4,-0.1 3,-0.1 -0.699 76.6-154.9 -79.3 97.0 9.1 5.0 11.6 46 52 A E > - 0 0 61 -9,-2.6 3,-1.8 -2,-1.3 -2,-0.1 -0.320 24.2 -84.8 -74.6 157.4 5.4 5.9 11.0 47 53 A K T 3 S+ 0 0 133 1,-0.3 -1,-0.1 2,-0.1 -10,-0.1 -0.346 115.6 13.8 -63.6 136.7 3.8 6.5 7.6 48 54 A Y T 3> S+ 0 0 52 -3,-0.1 4,-3.0 -13,-0.1 -1,-0.3 0.344 94.8 114.6 76.0 -1.3 4.3 10.1 6.3 49 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -35,-0.3 0.953 78.9 42.0 -61.6 -53.6 6.9 10.6 9.0 50 56 A P H > S+ 0 0 60 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.804 114.2 54.1 -63.2 -31.3 9.8 11.0 6.5 51 57 A E H > S+ 0 0 74 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.951 108.7 47.1 -67.1 -51.3 7.5 13.2 4.3 52 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.895 110.7 53.4 -59.0 -41.2 6.7 15.5 7.2 53 59 A S H X S+ 0 0 27 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.941 110.4 46.7 -60.0 -46.1 10.4 15.8 8.1 54 60 A A H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.890 111.3 51.1 -64.0 -41.1 11.3 16.8 4.5 55 61 A F H X S+ 0 0 65 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.974 114.5 42.7 -60.4 -55.3 8.5 19.3 4.3 56 62 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.931 114.1 51.7 -56.8 -48.9 9.5 21.0 7.5 57 63 A K H X S+ 0 0 87 -4,-2.7 4,-2.9 -5,-0.3 5,-0.3 0.942 111.6 45.9 -54.8 -52.8 13.2 20.8 6.7 58 64 A K H X S+ 0 0 108 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.942 113.6 49.9 -57.3 -47.9 12.8 22.4 3.3 59 65 A M H < S+ 0 0 41 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.879 116.9 38.7 -61.1 -42.9 10.6 25.2 4.7 60 66 A V H < S+ 0 0 2 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.2 0.860 114.8 51.9 -80.7 -32.5 12.9 26.1 7.5 61 67 A E H < S+ 0 0 99 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.836 111.9 46.2 -72.8 -30.0 16.2 25.8 5.7 62 68 A N S < S+ 0 0 134 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.534 89.3 110.7 -88.4 -7.2 15.0 28.0 2.8 63 69 A A - 0 0 22 -4,-0.4 3,-0.1 -3,-0.4 -3,-0.0 -0.399 54.3-158.5 -72.5 140.6 13.6 30.7 4.9 64 70 A K S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.746 85.9 31.2 -84.0 -27.7 15.2 34.2 5.1 65 71 A K - 0 0 140 -58,-0.0 24,-3.4 2,-0.0 2,-0.4 -0.981 62.9-172.0-138.9 129.6 13.5 34.7 8.5 66 72 A I E -AE 6 88A 14 -60,-0.6 -60,-1.8 -2,-0.4 2,-0.4 -0.944 11.5-175.8-117.9 135.9 12.3 32.4 11.2 67 73 A E E -AE 5 87A 55 20,-2.1 20,-3.0 -2,-0.4 2,-0.4 -0.991 13.7-147.9-133.7 142.2 10.2 33.7 14.1 68 74 A V E -AE 4 86A 0 -64,-3.1 -64,-2.3 -2,-0.4 2,-0.4 -0.856 8.4-168.1-108.3 143.7 8.9 32.0 17.3 69 75 A E E -AE 3 85A 12 16,-2.1 16,-2.4 -2,-0.4 -66,-0.2 -0.910 8.2-155.8-136.0 104.0 5.6 32.8 18.9 70 76 A F E - E 0 84A 13 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.432 16.7-130.6 -74.4 152.9 4.9 31.4 22.4 71 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.177 34.3 -88.3 -88.7-164.5 1.3 31.0 23.4 72 78 A K S S+ 0 0 140 39,-0.5 40,-0.1 -2,-0.1 3,-0.1 0.484 104.2 53.4 -91.3 1.7 -0.2 32.3 26.7 73 79 A G S S- 0 0 20 1,-0.3 2,-0.1 36,-0.1 37,-0.0 0.090 108.3 -17.7-107.5-142.6 0.5 29.3 28.9 74 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.387 50.0-152.1 -66.6 143.7 3.8 27.4 29.7 75 81 A R S S+ 0 0 135 -3,-0.1 8,-2.4 -2,-0.1 2,-0.3 0.417 74.4 40.8 -96.9 -3.1 6.6 27.9 27.2 76 82 A T B S-F 82 0A 69 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.976 71.9-134.2-142.0 152.8 8.4 24.5 27.6 77 83 A D > - 0 0 35 4,-1.9 3,-1.9 -2,-0.3 -2,-0.0 -0.354 46.2 -82.2 -95.7-175.2 7.2 20.9 28.0 78 84 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.716 127.8 57.9 -61.3 -22.4 8.5 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 0.230 120.8-105.8 -90.5 8.3 11.5 17.5 28.2 80 86 A G S < S+ 0 0 48 -3,-1.9 -53,-0.3 1,-0.2 2,-0.3 0.672 72.1 146.5 75.8 15.8 12.7 21.1 28.3 81 87 A R - 0 0 62 -55,-0.1 -4,-1.9 -53,-0.0 2,-0.2 -0.662 52.3-116.2 -87.3 140.5 11.5 21.8 24.7 82 88 A G E -dF 28 76A 0 -55,-2.9 -53,-3.0 -2,-0.3 2,-0.6 -0.569 24.4-144.0 -74.1 137.6 10.2 25.3 23.8 83 89 A L E +d 29 0A 25 -8,-2.4 -12,-0.6 -2,-0.2 2,-0.3 -0.912 40.5 133.4-107.3 112.0 6.5 25.2 22.8 84 90 A A E -dE 30 70A 0 -55,-1.4 -53,-2.4 -2,-0.6 2,-0.5 -0.913 60.2-106.9-152.9 171.3 5.7 27.7 20.0 85 91 A Y E - E 0 69A 0 -16,-2.4 -16,-2.1 -2,-0.3 2,-0.5 -0.902 44.5-152.8 -98.0 125.3 4.1 28.6 16.7 86 92 A I E - E 0 68A 0 -2,-0.5 7,-2.9 -18,-0.2 8,-0.6 -0.939 7.5-158.9-112.1 131.9 7.0 28.9 14.3 87 93 A Y E -GE 92 67A 17 -20,-3.0 -20,-2.1 -2,-0.5 2,-0.6 -0.925 7.2-162.5-111.6 133.3 6.9 31.1 11.2 88 94 A A E > S-GE 91 66A 4 3,-3.1 3,-1.8 -2,-0.4 -22,-0.2 -0.965 85.6 -23.7-113.4 108.2 9.1 30.7 8.1 89 95 A D T 3 S- 0 0 51 -24,-3.4 -1,-0.2 -2,-0.6 -23,-0.1 0.886 130.4 -46.8 54.1 45.1 9.1 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 0.456 116.5 114.1 80.5 -1.2 5.7 34.9 7.8 91 97 A K E < -G 88 0A 129 -3,-1.8 -3,-3.1 4,-0.0 2,-0.5 -0.915 68.5-124.0-108.0 127.5 4.2 31.5 7.1 92 98 A M E > -G 87 0A 20 -2,-0.5 4,-2.4 -5,-0.3 -5,-0.3 -0.539 12.6-158.4 -71.0 117.2 3.3 29.3 10.1 93 99 A V H > S+ 0 0 0 -7,-2.9 4,-2.3 -2,-0.5 5,-0.2 0.891 91.3 59.5 -60.1 -40.3 5.0 25.9 9.8 94 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.918 111.0 39.3 -54.3 -50.8 2.4 24.4 12.2 95 101 A E H > S+ 0 0 46 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.897 110.8 58.9 -68.2 -42.2 -0.5 25.3 9.8 96 102 A A H X S+ 0 0 19 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.905 107.8 46.7 -53.0 -46.3 1.4 24.5 6.6 97 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 6,-0.6 0.902 113.7 47.3 -64.3 -44.8 1.9 20.9 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.8 4,-0.2 5,-0.2 0.952 109.2 53.5 -63.6 -47.7 -1.7 20.4 8.9 99 105 A R H 3<5S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.9 50.8 -59.3 -29.4 -3.0 21.9 5.6 100 106 A Q T 3<5S- 0 0 81 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.503 115.9-112.3 -85.0 -8.1 -0.9 19.4 3.6 101 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.7 -4,-0.5 -3,-0.2 0.796 87.2 117.7 79.5 27.0 -2.2 16.4 5.6 102 108 A L S - 0 0 154 -2,-1.6 3,-1.6 3,-0.4 -36,-0.1 -0.907 33.6-101.1-104.8 118.8 -3.7 21.8 26.3 110 116 A K T 3 S+ 0 0 155 -2,-0.6 -2,-0.0 1,-0.3 0, 0.0 -0.430 100.2 28.2 -75.7 157.1 -5.3 25.1 27.4 111 117 A P T 3 S+ 0 0 64 0, 0.0 2,-1.6 0, 0.0 -39,-0.5 -0.908 111.2 73.8 -86.9 21.0 -4.5 27.8 27.7 112 118 A N S < S+ 0 0 7 -3,-1.6 -3,-0.4 1,-0.2 -80,-0.2 -0.380 75.3 91.1 -87.1 62.2 -2.0 27.1 24.9 113 119 A N > + 0 0 29 -2,-1.6 3,-2.2 -5,-0.1 4,-0.4 0.172 32.3 129.4-144.1 25.2 -4.6 27.0 22.2 114 120 A T T 3 S+ 0 0 53 -3,-0.4 3,-0.3 1,-0.3 4,-0.2 0.813 85.6 39.0 -51.4 -38.6 -4.9 30.4 20.7 115 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.281 83.9 109.4 -99.3 13.9 -4.5 29.1 17.2 116 122 A E H <> S+ 0 0 27 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.887 77.9 47.3 -55.5 -48.0 -6.6 25.9 17.7 117 123 A Q H > S+ 0 0 127 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.919 111.1 52.0 -64.3 -39.7 -9.6 26.9 15.6 118 124 A H H > S+ 0 0 72 1,-0.2 4,-1.8 -4,-0.2 -2,-0.2 0.943 112.7 45.0 -59.9 -49.1 -7.4 28.1 12.7 119 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.862 111.3 52.8 -65.6 -35.8 -5.5 24.9 12.6 120 126 A R H X S+ 0 0 86 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.942 105.3 54.7 -66.1 -42.6 -8.6 22.7 12.8 121 127 A K H X S+ 0 0 141 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.934 111.0 45.9 -57.2 -41.6 -10.1 24.6 9.9 122 128 A S H X S+ 0 0 8 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.872 109.4 54.8 -70.3 -35.0 -7.1 23.7 7.9 123 129 A E H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.883 105.7 52.1 -64.6 -39.3 -7.2 20.1 9.1 124 130 A A H X S+ 0 0 39 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.862 109.2 50.6 -64.5 -36.1 -10.8 19.7 7.9 125 131 A Q H X S+ 0 0 68 -4,-1.4 4,-1.1 -5,-0.2 -2,-0.2 0.938 110.6 47.9 -68.3 -44.8 -9.7 21.0 4.4 126 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 -2,-0.2 0.884 113.0 50.9 -62.3 -37.3 -6.9 18.5 4.2 127 133 A K H ><5S+ 0 0 73 -4,-2.3 3,-2.2 1,-0.2 -2,-0.2 0.957 108.7 48.2 -65.2 -51.7 -9.3 15.8 5.3 128 134 A K H 3<5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.651 112.7 49.9 -65.8 -16.1 -12.0 16.6 2.7 129 135 A E T 3<5S- 0 0 86 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.334 109.9-130.5 -99.5 4.8 -9.2 16.6 0.1 130 136 A K T < 5 - 0 0 134 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.869 40.0-177.2 47.5 47.5 -8.1 13.3 1.5 131 137 A L > < - 0 0 45 -5,-2.7 3,-3.2 3,-0.1 -1,-0.2 -0.608 43.9 -61.6 -82.8 133.0 -4.5 14.5 1.7 132 138 A N G > S+ 0 0 49 -2,-0.3 3,-3.0 1,-0.3 -30,-0.2 -0.059 135.8 31.3 37.7-104.3 -1.6 12.2 2.8 133 139 A I G 3 S+ 0 0 44 -32,-2.7 -1,-0.3 1,-0.3 -31,-0.1 0.723 127.7 47.4 -50.1 -25.0 -2.5 11.2 6.4 134 140 A W G < 0 0 72 -3,-3.2 -1,-0.3 -33,-0.1 -2,-0.2 0.312 360.0 360.0-101.0 4.3 -6.2 11.5 5.4 135 141 A S < 0 0 104 -3,-3.0 -2,-0.2 -4,-0.2 -1,-0.1 0.923 360.0 360.0 -84.8 360.0 -5.8 9.5 2.2