==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JAN-07 2OF1 . COMPND 2 MOLECULE: STAPHYLOCOCCAL THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.L.REYNALD,A.G.GITTIS . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 64.7 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 22.8 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 . 8 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.3 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 . 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 1 A A 0 0 109 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.3 45.3 24.3 27.9 2 2 A T > + 0 0 95 2,-0.1 3,-1.2 3,-0.1 70,-0.1 0.555 360.0 87.0-114.6 -16.4 44.1 27.5 26.3 3 3 A S T 3 S+ 0 0 101 1,-0.3 -1,-0.1 69,-0.0 69,-0.0 0.720 98.4 38.0 -57.7 -25.9 46.2 27.6 23.2 4 4 A T T 3 S+ 0 0 126 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.386 88.5 118.0-109.3 2.6 43.6 25.5 21.3 5 5 A K < - 0 0 126 -3,-1.2 2,-0.2 1,-0.1 67,-0.1 -0.324 64.2-114.6 -67.7 152.2 40.4 27.0 22.7 6 6 A K - 0 0 180 1,-0.0 2,-0.3 65,-0.0 -1,-0.1 -0.487 18.6-127.5 -90.8 157.4 38.1 28.7 20.3 7 7 A L - 0 0 31 -2,-0.2 2,-0.4 62,-0.0 64,-0.1 -0.691 18.9-146.4 -98.9 157.3 37.1 32.4 20.1 8 8 A H - 0 0 141 62,-0.4 62,-0.5 -2,-0.3 2,-0.3 -0.979 8.3-131.7-129.6 138.6 33.5 33.7 20.1 9 9 A K - 0 0 96 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.653 23.7-167.4 -87.1 142.6 31.9 36.7 18.4 10 10 A E E -A 68 0A 45 58,-2.5 58,-2.8 -2,-0.3 2,-0.0 -0.960 23.9-103.8-130.6 147.9 29.6 39.0 20.4 11 11 A P E +A 67 0A 101 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.339 39.9 168.1 -71.4 149.8 27.3 41.8 19.3 12 12 A A E -A 66 0A 10 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.962 24.2-135.8-155.7 153.0 28.1 45.5 19.7 13 13 A T E -B 26 0A 94 13,-2.0 13,-3.0 -2,-0.3 2,-0.2 -0.949 24.4-114.6-119.8 135.0 26.6 48.7 18.4 14 14 A L E +B 25 0A 46 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.456 33.1 170.5 -67.5 131.5 28.5 51.6 16.9 15 15 A I E - 0 0 74 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.752 69.1 -28.8-103.5 -49.6 28.3 54.8 19.0 16 16 A K E -B 24 0A 131 8,-1.7 8,-2.5 0, 0.0 -1,-0.3 -0.945 57.5-114.1-169.2 142.8 30.9 56.8 17.1 17 17 A A E +B 23 0A 24 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.493 30.0 177.4 -76.2 150.5 34.1 56.3 15.1 18 18 A I - 0 0 72 4,-1.0 2,-0.2 1,-0.4 5,-0.2 0.666 46.3 -49.6-117.6 -73.0 37.3 57.7 16.6 19 19 A D S S- 0 0 47 3,-1.6 -1,-0.4 33,-0.0 24,-0.1 -0.626 76.9 -47.3-146.6-152.3 40.4 57.0 14.6 20 20 A G S S+ 0 0 3 22,-0.2 23,-0.1 1,-0.2 77,-0.1 0.873 129.7 10.4 -61.3 -40.0 42.5 54.4 12.8 21 21 A D S S+ 0 0 6 20,-0.1 15,-2.2 18,-0.0 2,-0.3 0.276 115.2 68.8-128.3 11.7 42.4 51.7 15.5 22 22 A T E + C 0 35A 10 13,-0.2 -3,-1.6 -3,-0.1 -4,-1.0 -0.971 49.0 174.3-130.6 151.4 39.9 52.8 18.2 23 23 A V E -BC 17 34A 1 11,-1.8 11,-3.3 -2,-0.3 2,-0.6 -0.976 31.1-120.7-150.5 154.0 36.1 53.0 18.2 24 24 A K E +BC 16 33A 53 -8,-2.5 -9,-2.7 -2,-0.3 -8,-1.7 -0.912 41.4 172.2-101.9 119.0 33.3 53.8 20.7 25 25 A L E -BC 14 32A 1 7,-3.0 7,-2.3 -2,-0.6 2,-0.7 -0.911 38.4-123.4-129.0 154.8 30.8 50.9 20.9 26 26 A M E +BC 13 31A 71 -13,-3.0 -13,-2.0 -2,-0.3 2,-0.5 -0.875 38.8 179.0 -94.9 113.3 27.9 49.9 23.1 27 27 A Y E > - C 0 30A 16 3,-2.9 3,-1.5 -2,-0.7 -15,-0.1 -0.984 67.7 -11.5-123.6 123.8 28.9 46.4 24.4 28 28 A K T 3 S- 0 0 146 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.864 131.5 -56.4 55.7 33.4 26.6 44.5 26.8 29 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.548 118.8 102.3 78.3 9.6 24.6 47.8 27.0 30 30 A Q E < S-C 27 0A 128 -3,-1.5 -3,-2.9 -5,-0.0 -1,-0.2 -0.967 75.1-109.7-127.1 144.2 27.5 49.9 28.2 31 31 A P E +C 26 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.473 44.8 169.8 -70.9 136.3 29.6 52.5 26.3 32 32 A M E -C 25 0A 41 -7,-2.3 -7,-3.0 -2,-0.2 2,-0.5 -0.998 35.3-129.0-149.9 146.5 33.2 51.3 25.7 33 33 A T E -C 24 0A 39 47,-0.3 49,-2.7 -2,-0.3 2,-0.4 -0.850 31.2-158.2 -95.5 126.7 36.3 52.4 23.7 34 34 A F E -Cd 23 82A 0 -11,-3.3 -11,-1.8 -2,-0.5 2,-0.4 -0.875 6.0-157.9-109.1 143.8 37.7 49.4 21.8 35 35 A R E -Cd 22 83A 20 47,-3.4 49,-1.8 -2,-0.4 2,-0.4 -0.932 28.1-109.2-118.5 139.4 41.2 49.0 20.4 36 36 A L E > - d 0 84A 2 -15,-2.2 3,-1.0 -2,-0.4 49,-0.2 -0.554 34.3-125.5 -71.0 124.6 42.1 46.7 17.5 37 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 -2,-0.4 71,-0.1 -0.348 84.6 10.8 -68.1 148.8 44.2 43.7 18.7 38 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 74,-0.2 2,-0.3 0.530 106.4 97.0 62.7 15.7 47.5 43.0 17.0 39 39 A V E < -H 105 0B 0 -3,-1.0 2,-0.4 66,-0.3 66,-0.2 -0.900 48.7-162.9-136.2 164.5 47.9 46.3 15.1 40 40 A D E -H 104 0B 71 64,-1.7 64,-2.8 -2,-0.3 -3,-0.0 -0.976 17.4-167.0-143.4 121.0 49.5 49.8 15.2 41 41 A T - 0 0 4 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.845 29.4-101.2-112.7 151.7 48.2 52.5 12.8 42 42 A P - 0 0 23 0, 0.0 -22,-0.2 0, 0.0 11,-0.1 -0.385 44.2-117.4 -66.0 147.8 49.8 55.9 12.0 43 43 A E > - 0 0 66 1,-0.1 3,-2.2 -24,-0.1 6,-0.3 -0.310 31.1 -91.6 -83.4 171.6 48.2 58.8 13.9 44 50 A F T 3 S+ 0 0 169 1,-0.3 5,-0.1 5,-0.2 4,-0.1 0.766 126.3 49.2 -52.8 -32.1 46.4 61.8 12.4 45 51 A N T 3 S+ 0 0 124 4,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.392 101.8 80.5 -90.6 1.6 49.6 63.9 12.1 46 52 A E S X S- 0 0 100 -3,-2.2 3,-1.9 1,-0.1 2,-0.1 -0.728 96.0 -84.1-107.0 159.2 51.5 61.1 10.5 47 53 A K T 3 S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.368 116.8 12.0 -63.1 135.5 51.6 60.0 6.8 48 54 A Y T 3> S+ 0 0 33 -4,-0.1 4,-2.2 -2,-0.1 -1,-0.3 0.353 98.8 110.3 76.3 -2.5 48.8 57.6 6.0 49 55 A G H <> S+ 0 0 2 -3,-1.9 4,-2.5 -6,-0.3 -5,-0.2 0.952 77.2 45.1 -65.8 -53.2 47.2 58.4 9.4 50 56 A P H > S+ 0 0 67 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.864 114.5 52.7 -59.0 -33.6 44.2 60.4 7.9 51 57 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 108.9 47.2 -68.3 -42.6 43.8 57.5 5.4 52 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.930 113.3 49.1 -64.9 -44.6 43.8 54.8 8.2 53 59 A S H X S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.896 112.5 47.9 -61.7 -42.0 41.2 56.8 10.2 54 60 A A H X S+ 0 0 57 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.897 111.0 51.7 -66.4 -41.0 39.0 57.3 7.1 55 61 A F H X S+ 0 0 57 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.934 114.1 41.9 -61.7 -48.6 39.3 53.6 6.2 56 62 A T H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.907 112.5 55.1 -66.7 -42.0 38.2 52.4 9.7 57 63 A K H X S+ 0 0 101 -4,-2.4 4,-2.7 -5,-0.2 5,-0.3 0.937 111.3 43.8 -55.7 -51.2 35.5 55.1 9.9 58 64 A A H X S+ 0 0 44 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.892 112.7 52.5 -63.0 -42.1 33.9 54.0 6.7 59 65 A M H < S+ 0 0 39 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.915 117.2 36.6 -63.3 -42.4 34.2 50.3 7.6 60 66 A V H >< S+ 0 0 4 -4,-2.6 3,-0.6 2,-0.2 -2,-0.2 0.875 118.1 48.3 -80.1 -37.9 32.5 50.7 11.0 61 67 A E H 3< S+ 0 0 91 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.865 113.6 47.0 -70.3 -36.4 29.9 53.4 10.0 62 68 A N T 3< S+ 0 0 132 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.425 88.1 113.1 -86.3 3.2 28.7 51.5 6.9 63 69 A A < - 0 0 19 -3,-0.6 3,-0.2 1,-0.2 -49,-0.1 -0.600 52.4-161.9 -79.7 129.6 28.5 48.2 8.8 64 70 A K S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.857 85.3 23.5 -75.0 -34.3 24.9 46.8 9.2 65 71 A K - 0 0 115 -3,-0.1 24,-2.7 -52,-0.0 2,-0.4 -0.991 69.0-165.1-138.2 127.3 26.3 44.6 12.0 66 72 A I E -AE 12 88A 14 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.897 10.4-178.7-112.4 138.9 29.3 45.0 14.2 67 73 A E E -AE 11 87A 29 20,-2.0 20,-2.7 -2,-0.4 2,-0.4 -0.967 13.8-149.7-133.6 150.3 30.7 42.2 16.3 68 74 A V E -AE 10 86A 0 -58,-2.8 -58,-2.5 -2,-0.3 2,-0.4 -0.954 5.2-165.1-121.2 143.0 33.6 42.0 18.7 69 75 A E E - E 0 85A 14 16,-1.8 16,-2.2 -2,-0.4 -60,-0.2 -0.926 9.9-154.4-131.3 104.1 35.7 38.9 19.4 70 76 A F E - E 0 84A 14 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.402 15.1-131.5 -74.2 153.8 37.9 39.0 22.5 71 77 A D - 0 0 10 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.213 30.4 -94.9 -91.1-167.3 41.0 36.8 22.5 72 78 A K S S+ 0 0 67 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.582 103.4 49.3 -91.2 -9.7 42.0 34.5 25.4 73 79 A G S S+ 0 0 20 1,-0.3 2,-0.2 38,-0.2 39,-0.1 0.358 110.7 1.2 -96.0-127.2 44.4 36.7 27.3 74 80 A Q - 0 0 105 1,-0.1 -3,-0.3 -4,-0.0 -1,-0.3 -0.417 51.1-173.1 -67.6 126.7 43.8 40.3 28.4 75 81 A R S S+ 0 0 116 1,-0.2 8,-3.0 -2,-0.2 2,-0.4 0.690 74.6 32.2 -91.9 -24.9 40.3 41.6 27.4 76 82 A T B S-F 82 0A 69 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -1.000 80.0-133.8-134.6 135.4 40.9 45.3 28.6 77 83 A D > - 0 0 20 4,-2.5 3,-2.4 -2,-0.4 -2,-0.0 -0.209 38.5 -89.2 -81.2 178.2 44.2 47.2 28.5 78 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.596 127.4 57.1 -61.8 -12.5 45.8 49.4 31.2 79 85 A Y T 3 S- 0 0 169 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.303 120.9-105.8-100.4 6.0 43.8 52.3 29.7 80 86 A G S < S+ 0 0 55 -3,-2.4 -47,-0.3 1,-0.3 2,-0.3 0.605 73.7 141.8 80.8 12.5 40.5 50.6 30.1 81 87 A R - 0 0 69 -49,-0.1 -4,-2.5 -47,-0.1 2,-0.3 -0.648 55.3-116.5 -89.0 142.5 40.1 50.0 26.4 82 88 A G E -dF 34 76A 0 -49,-2.7 -47,-3.4 -2,-0.3 2,-0.7 -0.619 24.1-146.6 -76.7 133.2 38.5 46.7 25.2 83 89 A L E +d 35 0A 20 -8,-3.0 -12,-0.5 -2,-0.3 2,-0.3 -0.910 41.7 127.5-103.9 115.6 41.0 44.6 23.2 84 90 A A E -dE 36 70A 0 -49,-1.8 -47,-2.1 -2,-0.7 2,-0.6 -0.963 62.0-102.1-157.8 170.0 39.3 42.7 20.4 85 91 A Y E - E 0 69A 0 -16,-2.2 -16,-1.8 -2,-0.3 2,-0.3 -0.904 43.2-147.4 -94.6 123.3 39.0 41.7 16.8 86 92 A W E - E 0 68A 2 -2,-0.6 7,-2.6 -18,-0.2 8,-0.5 -0.769 8.8-159.0 -98.2 145.4 36.2 43.7 15.3 87 93 A Y E -GE 92 67A 18 -20,-2.7 -20,-2.0 -2,-0.3 2,-0.7 -0.980 6.3-164.0-124.2 129.2 34.0 42.4 12.5 88 94 A A E > S-GE 91 66A 10 3,-2.9 3,-1.5 -2,-0.5 -22,-0.2 -0.917 84.7 -27.7-112.2 103.1 32.0 44.6 10.1 89 95 A D T 3 S- 0 0 94 -24,-2.7 -1,-0.2 -2,-0.7 -23,-0.1 0.908 129.1 -45.5 55.0 44.7 29.4 42.4 8.5 90 96 A G T 3 S+ 0 0 47 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.303 116.1 113.6 85.8 -9.3 31.7 39.4 8.8 91 97 A A E < -G 88 0A 47 -3,-1.5 -3,-2.9 4,-0.0 2,-0.4 -0.862 68.5-123.9-100.7 125.2 34.8 41.1 7.6 92 98 A M E > -G 87 0A 8 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.500 12.1-158.0 -71.9 122.6 37.6 41.6 10.2 93 99 A V H > S+ 0 0 1 -7,-2.6 4,-2.4 -2,-0.4 5,-0.2 0.885 92.6 56.7 -64.0 -41.6 38.6 45.3 10.6 94 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.910 112.9 41.3 -56.3 -47.5 42.1 44.3 12.0 95 101 A E H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 112.2 53.4 -68.5 -46.0 42.8 42.3 8.9 96 102 A A H X S+ 0 0 22 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.907 108.4 49.9 -57.8 -46.4 41.4 44.7 6.3 97 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.5 0.905 114.0 45.0 -58.9 -46.0 43.5 47.6 7.6 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.6 -5,-0.2 5,-0.2 0.888 108.7 56.7 -66.4 -40.2 46.6 45.6 7.5 99 105 A R H 3<5S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 107.1 49.8 -62.2 -29.1 45.8 44.2 4.0 100 106 A Q T 3<5S- 0 0 80 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.406 115.9-115.3 -89.7 0.2 45.5 47.8 2.7 101 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.2 2,-0.2 -3,-0.2 0.803 85.0 118.7 70.3 28.2 48.9 48.7 4.2 102 108 A L S - 0 0 160 -2,-0.8 3,-1.8 3,-0.4 -36,-0.1 -0.801 36.5 -69.6-119.1 162.8 51.5 39.0 23.1 110 116 A K T 3 S- 0 0 142 -2,-0.3 2,-0.4 1,-0.3 3,-0.3 0.542 112.0 -9.4 0.7-115.6 51.2 35.6 24.8 111 117 A G T 3 S+ 0 0 31 1,-0.2 -39,-0.3 -39,-0.1 -1,-0.3 -0.442 120.1 82.3-101.6 52.7 47.9 33.9 24.4 112 118 A N S < S+ 0 0 11 -3,-1.8 -3,-0.4 -2,-0.4 -1,-0.2 -0.163 70.7 80.8-143.6 34.5 46.3 37.1 22.9 113 119 A N > + 0 0 46 -3,-0.3 3,-1.9 -5,-0.1 4,-0.3 -0.139 41.8 140.0-137.4 39.1 47.5 36.5 19.3 114 120 A T T 3 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.868 80.8 39.9 -52.1 -41.9 45.0 34.0 17.9 115 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.141 80.1 115.2 -98.4 22.3 44.9 35.7 14.5 116 122 A E H <> S+ 0 0 35 -3,-1.9 4,-2.9 1,-0.2 5,-0.2 0.939 77.6 45.8 -55.1 -56.2 48.7 36.6 14.3 117 123 A Q H > S+ 0 0 144 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.891 111.9 53.3 -55.9 -41.7 49.4 34.4 11.2 118 124 A L H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 113.7 42.2 -59.8 -46.6 46.3 35.6 9.4 119 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.860 111.8 53.5 -70.0 -37.9 47.4 39.3 10.0 120 126 A R H X S+ 0 0 95 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.836 107.2 53.4 -66.7 -29.6 51.0 38.6 9.1 121 127 A A H X S+ 0 0 61 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.919 108.9 48.5 -68.9 -42.7 49.9 37.1 5.9 122 128 A A H X S+ 0 0 7 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.865 111.8 50.0 -65.1 -36.5 47.9 40.2 5.1 123 129 A E H X S+ 0 0 32 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.870 107.0 54.0 -69.4 -39.0 50.9 42.4 5.9 124 130 A A H X S+ 0 0 62 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 111.6 45.6 -62.0 -40.5 53.2 40.3 3.7 125 131 A Q H X S+ 0 0 66 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.893 111.9 50.5 -70.8 -40.5 50.8 40.8 0.7 126 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.8 1,-0.2 -2,-0.2 0.884 113.7 46.4 -64.3 -38.1 50.4 44.6 1.4 127 133 A K H ><5S+ 0 0 126 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.881 109.5 53.6 -71.1 -39.9 54.2 44.9 1.6 128 134 A K H 3<5S+ 0 0 164 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.904 112.5 44.4 -60.6 -42.1 54.6 42.8 -1.6 129 135 A E T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.419 110.0-128.0 -82.3 0.3 52.2 45.2 -3.4 130 136 A K T < 5 - 0 0 150 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.877 42.0-178.6 52.3 44.0 54.0 48.2 -1.8 131 137 A L > < - 0 0 42 -5,-2.8 3,-2.4 3,-0.1 -1,-0.2 -0.608 45.2 -55.3 -81.6 130.1 50.7 49.5 -0.5 132 138 A N G > S+ 0 0 49 -2,-0.4 3,-2.4 1,-0.3 4,-0.4 -0.164 135.2 26.4 45.6-104.8 50.6 52.8 1.4 133 139 A I G 3 S+ 0 0 40 -32,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.724 124.6 55.4 -59.7 -19.4 53.0 52.6 4.4 134 140 A W G < S+ 0 0 66 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.328 89.6 74.6 -94.7 6.0 55.0 50.0 2.4 135 141 A S < 0 0 56 -3,-2.4 -1,-0.2 -34,-0.1 -2,-0.2 0.592 360.0 360.0 -91.0 -12.4 55.4 52.3 -0.6 136 142 A E 0 0 152 -3,-0.4 -3,-0.0 -4,-0.4 -6,-0.0 0.123 360.0 360.0 -73.7 360.0 58.1 54.4 1.3