==== 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) 07-JAN-94 1SYG . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.R.HYNES,A.HODEL,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7664.0 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 . 34 25.0 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 . 4 2.9 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 . 12 8.8 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 . 27 19.9 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 . 3 1 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 . 0 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 0 258 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-180.0 -1.5 39.3 23.3 2 7 A L - 0 0 46 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.223 360.0-173.2 -65.7 151.6 0.9 37.0 21.4 3 8 A H - 0 0 120 68,-0.3 68,-0.5 69,-0.1 2,-0.2 -0.996 21.9-118.4-147.0 146.3 4.0 38.4 19.6 4 9 A K - 0 0 90 -2,-0.3 66,-0.2 66,-0.1 83,-0.1 -0.602 24.5-165.8 -87.4 146.4 6.6 37.0 17.3 5 10 A E E -A 69 0A 33 64,-2.4 64,-2.8 -2,-0.2 2,-0.0 -0.971 25.1-107.4-130.2 143.1 10.3 36.9 18.2 6 11 A P E +A 68 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.345 40.0 169.5 -70.9 153.6 13.3 36.3 15.9 7 12 A A E -A 67 0A 11 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.924 27.2-125.9-151.5 169.6 15.3 33.1 16.1 8 13 A T E -B 21 0A 94 13,-1.7 13,-3.0 -2,-0.3 2,-0.1 -0.994 25.5-117.6-129.9 129.6 17.9 31.4 14.0 9 14 A L E +B 20 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.407 35.1 166.7 -64.0 137.5 17.7 27.8 12.6 10 15 A I E - 0 0 81 9,-2.2 2,-0.3 1,-0.2 10,-0.2 0.667 66.7 -21.4-114.3 -51.6 20.3 25.4 13.9 11 16 A K E -B 19 0A 119 8,-1.8 8,-3.4 0, 0.0 2,-0.5 -0.949 53.1-128.5-164.8 134.0 19.0 22.1 12.8 12 17 A A E +B 18 0A 14 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.791 28.6 178.8 -85.9 125.9 15.6 20.6 11.9 13 18 A I E - 0 0 35 4,-1.6 2,-0.3 -2,-0.5 5,-0.2 0.885 54.7 -19.2 -95.2 -50.8 15.1 17.4 14.0 14 19 A D E > S-B 17 0A 8 3,-2.7 3,-0.6 39,-0.1 -1,-0.3 -0.864 77.4 -81.5-148.8 178.6 11.8 15.9 13.1 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.847 132.5 27.2 -58.4 -33.1 8.5 16.9 11.5 16 21 A D T 3 S+ 0 0 7 20,-0.1 15,-2.6 1,-0.1 2,-0.4 0.328 116.1 68.4-112.0 7.7 7.4 18.5 14.8 17 22 A T E < +BC 14 30A 10 -3,-0.6 -3,-2.7 13,-0.2 -4,-1.6 -0.988 50.0 171.3-136.0 131.0 10.7 19.4 16.3 18 23 A V E -BC 12 29A 0 11,-1.9 11,-3.0 -2,-0.4 2,-0.5 -0.990 26.9-134.7-137.7 140.9 13.4 22.0 15.4 19 24 A K E +BC 11 28A 73 -8,-3.4 -9,-2.2 -2,-0.3 -8,-1.8 -0.850 35.6 173.3 -95.1 127.0 16.5 23.2 17.2 20 25 A L E -BC 9 27A 0 7,-3.2 7,-2.9 -2,-0.5 2,-0.8 -0.905 39.4-118.6-134.0 161.3 16.9 27.0 17.1 21 26 A M E -BC 8 26A 77 -13,-3.0 -13,-1.7 -2,-0.3 2,-0.5 -0.907 39.3-178.9 -99.0 107.7 19.1 29.7 18.6 22 27 A Y E > - C 0 25A 22 3,-2.8 3,-0.9 -2,-0.8 -15,-0.1 -0.975 65.8 -16.5-116.2 119.8 16.6 31.7 20.6 23 28 A K T 3 S- 0 0 143 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.918 129.7 -49.1 52.6 51.6 18.0 34.8 22.4 24 29 A G T 3 S+ 0 0 73 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.1 0.680 122.9 94.4 66.4 20.5 21.6 33.7 22.1 25 30 A Q E < S-C 22 0A 109 -3,-0.9 -3,-2.8 2,-0.0 2,-0.1 -0.992 76.3-114.9-146.9 131.3 21.0 30.2 23.4 26 31 A P E +C 21 0A 88 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.448 40.9 172.7 -64.7 138.2 20.3 26.9 21.6 27 32 A M E -C 20 0A 38 -7,-2.9 -7,-3.2 -2,-0.1 2,-0.5 -0.996 32.3-128.5-147.5 147.8 16.8 25.4 22.3 28 33 A T E -C 19 0A 36 53,-0.3 55,-2.4 -2,-0.3 2,-0.4 -0.834 28.5-157.5 -97.3 128.5 14.7 22.5 21.0 29 34 A F E -Cd 18 83A 0 -11,-3.0 -11,-1.9 -2,-0.5 2,-0.5 -0.926 8.8-155.5-112.6 136.5 11.2 23.6 20.0 30 35 A R E -Cd 17 84A 33 53,-3.2 55,-1.5 -2,-0.4 2,-0.3 -0.941 29.8-118.4-107.7 123.4 8.2 21.4 19.8 31 36 A L E > - d 0 85A 1 -15,-2.6 3,-0.8 -2,-0.5 55,-0.2 -0.523 33.7-118.3 -67.7 123.6 5.6 22.8 17.4 32 37 A L T 3 S+ 0 0 6 53,-2.5 55,-0.1 -2,-0.3 -1,-0.1 -0.227 81.7 3.7 -63.0 150.3 2.3 23.5 19.2 33 38 A L T 3 S+ 0 0 8 75,-0.3 74,-0.4 80,-0.1 2,-0.3 0.642 103.5 107.3 48.8 31.3 -1.1 21.9 18.5 34 39 A V < - 0 0 1 -3,-0.8 2,-0.4 72,-0.3 72,-0.2 -0.948 48.3-164.6-138.4 148.4 0.3 19.4 15.9 35 40 A D B -H 105 0B 82 70,-2.0 70,-2.0 -2,-0.3 -3,-0.0 -0.891 16.6-174.5-134.4 102.2 1.0 15.7 15.8 36 41 A T - 0 0 10 -2,-0.4 68,-0.2 68,-0.2 -20,-0.1 -0.685 37.5 -96.4 -97.4 150.8 3.2 14.6 12.9 37 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.446 53.4-125.0 -62.0 135.9 4.0 10.9 12.0 38 43 A E - 0 0 49 1,-0.1 9,-2.4 7,-0.1 12,-0.2 -0.564 36.2-179.9 -94.1 153.6 7.4 10.3 13.6 39 44 A T S S+ 0 0 42 7,-0.2 2,-0.6 11,-0.2 -1,-0.1 0.622 94.6 46.5-107.9 -34.9 10.7 9.0 12.3 40 45 A K S S+ 0 0 131 5,-0.1 -1,-0.1 10,-0.1 5,-0.1 -0.571 80.1 156.7-108.4 63.9 12.3 9.2 15.8 41 46 A H - 0 0 44 -2,-0.6 3,-0.1 3,-0.3 5,-0.0 -0.767 40.7-143.6 -94.1 131.5 9.5 7.5 17.8 42 47 A P S S+ 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.983 93.7 26.3 -54.9 -60.4 10.5 5.9 21.1 43 48 A K S S+ 0 0 150 -3,-0.1 -3,-0.0 2,-0.1 0, 0.0 -0.867 121.0 28.3-104.4 139.8 8.1 3.0 20.7 44 49 A K S S- 0 0 136 -2,-0.4 -3,-0.3 -3,-0.1 3,-0.2 0.545 84.6-107.2 80.8 130.9 7.2 2.0 17.1 45 50 A G - 0 0 54 1,-0.2 2,-0.3 -5,-0.1 -7,-0.1 0.141 68.6 -28.4 -75.0-166.0 9.5 2.6 14.1 46 51 A V S S- 0 0 96 -7,-0.1 -7,-0.2 1,-0.1 -1,-0.2 -0.267 75.1-142.5 -50.4 102.8 9.4 5.1 11.2 47 52 A E > - 0 0 51 -9,-2.4 3,-2.2 -2,-0.3 -1,-0.1 -0.248 29.1 -78.3 -69.8 158.7 5.7 5.7 10.9 48 53 A K T 3 S+ 0 0 143 1,-0.3 -1,-0.2 2,-0.1 -10,-0.0 -0.338 119.7 11.1 -59.8 133.1 3.9 6.2 7.6 49 54 A Y T 3> S+ 0 0 47 -3,-0.1 4,-2.4 -13,-0.1 -1,-0.3 0.418 93.1 119.6 75.5 0.8 4.4 9.7 6.2 50 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.2 -12,-0.2 -11,-0.2 0.956 74.5 47.3 -59.5 -52.6 7.1 10.3 8.9 51 56 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.886 111.8 52.5 -56.8 -38.9 9.8 11.0 6.2 52 57 A E H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.930 109.3 46.9 -63.5 -48.6 7.5 13.3 4.4 53 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.884 112.5 50.9 -62.6 -38.7 6.7 15.4 7.4 54 59 A S H X S+ 0 0 24 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.919 112.4 46.1 -64.9 -44.0 10.3 15.7 8.3 55 60 A A H X S+ 0 0 58 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.886 111.7 52.7 -65.6 -40.8 11.3 16.8 4.8 56 61 A F H X S+ 0 0 47 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.965 114.1 40.1 -60.1 -55.4 8.4 19.3 4.7 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.951 117.1 50.4 -59.0 -49.1 9.4 21.0 8.0 58 63 A K H X S+ 0 0 90 -4,-2.6 4,-2.6 -5,-0.2 5,-0.3 0.944 112.1 46.6 -53.8 -53.7 13.1 20.8 7.1 59 64 A K H X S+ 0 0 136 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.940 112.2 51.5 -55.5 -49.2 12.6 22.3 3.7 60 65 A M H < S+ 0 0 34 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.880 115.6 38.0 -59.4 -45.8 10.4 25.1 5.0 61 66 A V H >< S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.862 114.8 52.8 -78.7 -32.9 12.8 26.3 7.8 62 67 A E H 3< S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.840 110.2 47.2 -71.0 -33.6 16.0 25.9 5.9 63 68 A N T 3< S+ 0 0 97 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.498 92.0 108.6 -85.8 -4.5 14.9 27.9 2.8 64 69 A A < - 0 0 22 -3,-0.6 3,-0.1 -4,-0.3 -3,-0.0 -0.423 56.0-157.4 -77.3 147.3 13.5 30.7 5.0 65 70 A K S S+ 0 0 181 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.757 86.4 29.5 -88.1 -32.8 15.1 34.2 5.3 66 71 A K - 0 0 137 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.987 65.7-167.5-134.4 124.1 13.5 34.9 8.6 67 72 A I E -AE 7 89A 13 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.3 -0.907 13.7-177.4-108.2 136.3 12.5 32.4 11.3 68 73 A E E -AE 6 88A 58 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.982 14.0-149.6-134.9 146.3 10.2 33.6 14.1 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.4 -2,-0.3 2,-0.4 -0.895 5.9-165.8-114.9 148.0 8.8 31.9 17.2 70 75 A E E - E 0 86A 9 16,-2.0 16,-2.5 -2,-0.4 2,-0.2 -0.929 7.8-155.7-137.7 106.3 5.5 32.7 18.9 71 76 A F E - E 0 85A 24 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.503 15.8-136.4 -76.3 152.7 4.9 31.4 22.4 72 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.166 30.3 -91.0 -94.8-165.2 1.2 31.0 23.4 73 78 A K S S+ 0 0 122 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.646 101.3 64.8 -85.0 -20.4 -0.4 32.0 26.8 74 79 A G S S- 0 0 19 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.242 107.7 -28.6 -82.2-149.3 0.1 28.7 28.6 75 80 A Q - 0 0 80 36,-0.7 -1,-0.3 35,-0.3 -3,-0.2 -0.412 52.3-153.7 -64.2 141.7 3.2 26.9 29.7 76 81 A R S S+ 0 0 141 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.463 74.1 39.2-100.8 -1.7 6.1 27.7 27.4 77 82 A T B S-F 83 0A 73 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.977 74.7-135.7-142.9 146.4 8.2 24.6 27.8 78 83 A D > - 0 0 20 4,-2.1 3,-2.0 -2,-0.3 -2,-0.0 -0.382 44.5 -83.0 -92.6-175.4 7.2 20.9 28.2 79 84 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.621 128.1 56.7 -66.1 -9.4 8.5 18.4 30.7 80 85 A Y T 3 S- 0 0 165 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.416 119.4-104.9-100.3 1.2 11.5 17.7 28.4 81 86 A G S < S+ 0 0 48 -3,-2.0 2,-0.4 1,-0.3 -53,-0.3 0.514 73.8 141.4 88.7 5.6 12.7 21.3 28.3 82 87 A R - 0 0 68 -55,-0.1 -4,-2.1 -53,-0.1 -1,-0.3 -0.673 54.5-119.9 -84.4 132.1 11.4 21.9 24.7 83 88 A G E -dF 29 77A 0 -55,-2.4 -53,-3.2 -2,-0.4 2,-0.6 -0.445 21.1-139.1 -68.9 142.8 9.9 25.3 24.0 84 89 A L E +d 30 0A 9 -8,-2.2 -12,-0.6 -55,-0.2 2,-0.3 -0.931 45.4 130.7-107.0 112.7 6.2 25.1 22.9 85 90 A A E -dE 31 71A 0 -55,-1.5 -53,-2.5 -2,-0.6 2,-0.5 -0.924 60.7-103.4-154.6 172.6 5.5 27.6 20.1 86 91 A Y E - E 0 70A 0 -16,-2.5 -16,-2.0 -2,-0.3 2,-0.4 -0.897 41.9-149.0 -98.3 128.5 4.1 28.4 16.7 87 92 A I E - E 0 69A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.911 9.1-160.9-106.9 135.8 7.0 28.7 14.3 88 93 A Y E -GE 93 68A 16 -20,-2.9 -20,-2.2 -2,-0.4 2,-0.6 -0.960 8.2-165.3-118.6 132.6 7.0 31.0 11.3 89 94 A A E > S-GE 92 67A 7 3,-2.9 3,-2.5 -2,-0.4 -22,-0.2 -0.977 83.6 -24.5-115.4 111.8 9.2 30.8 8.2 90 95 A D T 3 S- 0 0 78 -24,-2.7 -1,-0.2 -2,-0.6 -23,-0.1 0.871 129.6 -46.4 50.8 45.8 8.9 34.0 6.2 91 96 A G T 3 S+ 0 0 54 -25,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.333 116.1 113.7 83.9 -11.7 5.6 34.9 7.7 92 97 A K E < -G 89 0A 110 -3,-2.5 -3,-2.9 4,-0.0 2,-0.5 -0.861 68.0-128.3 -99.3 123.9 4.1 31.4 7.1 93 98 A M E > -G 88 0A 16 -2,-0.6 4,-2.1 -5,-0.3 -5,-0.3 -0.535 11.1-155.5 -69.6 118.6 3.3 29.4 10.2 94 99 A V H > S+ 0 0 0 -7,-3.0 4,-2.1 -2,-0.5 5,-0.2 0.864 92.2 59.9 -62.2 -35.5 5.0 26.0 9.8 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.938 109.3 42.1 -58.3 -48.1 2.4 24.4 12.2 96 101 A E H > S+ 0 0 32 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.909 110.2 56.3 -67.1 -43.8 -0.5 25.4 9.9 97 102 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 106.2 51.0 -56.2 -44.2 1.3 24.4 6.7 98 103 A L H <>S+ 0 0 0 -4,-2.1 5,-3.2 2,-0.2 6,-0.4 0.901 114.3 43.9 -59.8 -45.6 1.9 20.8 7.9 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-2.3 4,-0.2 5,-0.3 0.952 111.8 52.1 -64.7 -51.5 -1.8 20.5 8.8 100 105 A R H 3<5S+ 0 0 73 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.815 109.8 50.6 -56.2 -34.6 -3.0 22.1 5.6 101 106 A Q T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.373 116.6-114.9 -84.2 0.9 -0.9 19.6 3.6 102 107 A G T < 5S+ 0 0 0 -3,-2.3 32,-2.1 2,-0.1 -3,-0.2 0.821 84.0 119.7 70.6 28.8 -2.2 16.7 5.5 103 108 A L S -I 113 0C 79 3,-0.6 3,-1.0 1,-0.2 -35,-0.3 -0.887 65.6 -41.0-112.0 101.8 -1.6 21.8 26.2 111 116 A K T 3 S- 0 0 115 -2,-0.7 -36,-0.7 1,-0.2 -1,-0.2 0.914 120.9 -37.2 47.0 65.3 -2.4 23.9 29.3 112 117 A A T 3 S+ 0 0 55 -38,-0.2 2,-1.6 1,-0.2 -39,-0.4 0.486 100.6 129.4 72.5 3.5 -4.2 26.9 27.8 113 118 A N B < +I 110 0C 0 -3,-1.0 -3,-0.6 1,-0.2 -1,-0.2 -0.584 34.2 109.6 -88.1 74.7 -2.0 27.0 24.6 114 119 A N > + 0 0 57 -2,-1.6 3,-1.9 -5,-0.1 4,-0.4 0.242 22.6 122.2-135.7 17.0 -4.9 27.0 22.2 115 120 A T T 3 S+ 0 0 61 1,-0.3 3,-0.3 -3,-0.3 4,-0.2 0.865 88.8 33.2 -49.6 -43.4 -4.9 30.5 20.6 116 121 A H T 3> S+ 0 0 41 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.258 86.5 106.1-101.4 16.1 -4.6 29.1 17.1 117 122 A E H <> S+ 0 0 30 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.907 80.0 49.5 -60.0 -46.8 -6.5 25.8 17.5 118 123 A Q H > S+ 0 0 120 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.935 111.1 49.4 -57.9 -48.3 -9.6 27.0 15.6 119 124 A H H > S+ 0 0 94 -4,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 114.0 45.9 -56.1 -50.3 -7.5 28.1 12.7 120 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.837 107.9 57.7 -62.3 -36.5 -5.6 24.8 12.6 121 126 A R H X S+ 0 0 86 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.912 106.0 49.5 -60.9 -44.9 -8.9 22.9 12.9 122 127 A K H X S+ 0 0 150 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.933 110.6 49.2 -61.9 -45.0 -10.2 24.5 9.7 123 128 A S H X S+ 0 0 12 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.880 110.9 50.7 -63.1 -37.7 -7.0 23.7 7.8 124 129 A E H X S+ 0 0 21 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.877 107.2 53.6 -67.5 -37.2 -7.1 20.1 8.9 125 130 A A H X S+ 0 0 34 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.935 110.2 47.7 -62.0 -45.1 -10.8 19.8 7.9 126 131 A Q H X S+ 0 0 65 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 107.5 55.5 -62.4 -45.5 -9.8 21.0 4.4 127 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -1,-0.2 0.841 109.6 46.6 -58.1 -36.5 -6.9 18.6 4.1 128 133 A K H ><5S+ 0 0 73 -4,-1.7 3,-1.6 3,-0.2 -1,-0.2 0.865 106.9 56.1 -76.7 -32.4 -9.1 15.6 4.8 129 134 A K H 3<5S+ 0 0 137 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.913 110.9 47.1 -61.8 -38.5 -11.8 16.8 2.3 130 135 A E T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.382 109.5-129.0 -83.0 3.2 -8.9 16.8 -0.2 131 136 A K T < 5 - 0 0 138 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.898 41.9-178.3 49.2 47.1 -7.8 13.3 1.0 132 137 A L > < - 0 0 43 -5,-2.4 3,-3.0 3,-0.1 -1,-0.2 -0.647 45.5 -60.4 -84.7 134.7 -4.2 14.6 1.3 133 138 A N G > S+ 0 0 48 -2,-0.4 3,-1.7 1,-0.3 -30,-0.2 -0.027 135.9 29.5 35.7 -99.2 -1.4 12.3 2.4 134 139 A I G 3 S+ 0 0 47 -32,-2.1 -1,-0.3 1,-0.3 -31,-0.1 0.831 120.8 57.3 -53.8 -35.6 -2.5 11.1 5.9 135 140 A W G < 0 0 54 -3,-3.0 -1,-0.3 -33,-0.2 -2,-0.2 0.020 360.0 360.0 -87.2 27.8 -6.1 11.4 4.9 136 141 A S < 0 0 109 -3,-1.7 -4,-0.1 -4,-0.1 -5,-0.1 -0.662 360.0 360.0 -80.7 360.0 -5.8 9.1 1.8