==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-NOV-05 2EYO . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 70.4 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 . 35 25.9 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 3.0 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 . 14 10.4 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 . 2 2 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 . 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 0.000 360.0 360.0 360.0 154.7 0.6 36.8 21.3 2 8 A H - 0 0 127 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.980 360.0-125.1-135.8 150.8 3.7 38.1 19.6 3 9 A K - 0 0 83 -2,-0.4 66,-0.2 66,-0.2 83,-0.1 -0.736 24.1-166.2 -89.4 145.9 6.3 36.6 17.3 4 10 A E E -A 68 0A 45 64,-2.6 64,-3.5 -2,-0.3 2,-0.1 -0.972 24.5-106.5-127.9 146.9 10.0 36.7 18.2 5 11 A P E +A 67 0A 90 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.312 39.5 170.3 -72.7 152.1 13.0 36.1 16.0 6 12 A A E -A 66 0A 12 60,-1.9 60,-0.7 15,-0.1 2,-0.4 -0.943 26.2-128.0-148.4 166.1 15.0 32.9 16.2 7 13 A T E -B 20 0A 97 13,-1.7 13,-3.1 -2,-0.3 2,-0.1 -0.977 28.3-112.8-123.0 136.0 17.8 31.3 14.1 8 14 A L E +B 19 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.304 35.4 168.2 -63.9 136.5 17.7 27.8 12.8 9 15 A I E - 0 0 68 9,-2.6 2,-0.3 1,-0.2 10,-0.2 0.750 66.3 -30.9-107.5 -51.7 20.2 25.4 14.3 10 16 A K E -B 18 0A 119 8,-2.1 8,-3.7 0, 0.0 2,-0.4 -0.932 47.8-123.7-167.4 139.1 18.9 22.1 13.1 11 17 A A E +B 17 0A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.695 27.4 179.8 -80.5 131.8 15.7 20.3 12.1 12 18 A I E - 0 0 38 4,-2.2 2,-0.3 -2,-0.4 5,-0.2 0.758 57.2 -27.9-107.3 -28.0 15.4 17.2 14.2 13 19 A D E > S-B 16 0A 4 3,-1.7 3,-0.6 40,-0.1 -1,-0.4 -0.929 77.8 -73.2-170.8 178.6 12.1 15.6 13.0 14 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.819 131.8 29.9 -55.4 -36.9 8.7 16.5 11.6 15 21 A D T 3 S+ 0 0 5 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.334 115.0 62.4-112.4 3.9 7.6 18.0 14.9 16 22 A T E < +BC 13 29A 9 -3,-0.6 -4,-2.2 13,-0.2 -3,-1.7 -0.996 49.2 172.5-140.7 129.1 10.8 19.2 16.5 17 23 A V E -BC 11 28A 1 11,-1.9 11,-3.4 -2,-0.4 2,-0.5 -0.983 26.3-133.7-131.1 147.2 13.4 21.8 15.5 18 24 A K E +BC 10 27A 72 -8,-3.7 -9,-2.6 -2,-0.3 -8,-2.1 -0.911 33.3 177.4-102.7 129.5 16.4 23.2 17.4 19 25 A L E -BC 8 26A 0 7,-2.7 7,-3.0 -2,-0.5 2,-0.7 -0.882 37.1-119.6-127.8 153.2 16.7 27.0 17.3 20 26 A M E +BC 7 25A 62 -13,-3.1 -13,-1.7 -2,-0.3 2,-0.5 -0.855 42.1 178.5 -87.5 115.0 18.9 29.8 18.7 21 27 A Y E > - C 0 24A 35 3,-2.8 3,-1.4 -2,-0.7 -15,-0.1 -0.961 65.7 -13.1-127.1 120.1 16.4 31.8 20.7 22 28 A K T 3 S- 0 0 113 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.913 129.2 -56.9 55.9 42.5 17.5 34.8 22.7 23 29 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.572 118.9 106.5 62.2 20.1 21.0 33.7 22.1 24 30 A Q E < S-C 21 0A 133 -3,-1.4 -3,-2.8 2,-0.0 2,-0.2 -0.985 73.7-118.2-123.8 135.5 20.5 30.2 23.7 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.531 43.9 172.4 -70.9 133.7 20.2 26.9 21.9 26 32 A M E -C 19 0A 45 -7,-3.0 -7,-2.7 -2,-0.2 2,-0.5 -0.998 33.0-130.1-144.4 142.3 16.8 25.4 22.5 27 33 A T E -C 18 0A 43 -2,-0.3 55,-2.4 53,-0.3 2,-0.4 -0.805 27.8-157.7 -88.7 129.3 14.7 22.5 21.2 28 34 A F E -Cd 17 82A 0 -11,-3.4 -11,-1.9 -2,-0.5 2,-0.5 -0.883 9.0-155.4-111.3 136.4 11.2 23.4 20.1 29 35 A R E -Cd 16 83A 32 53,-3.3 55,-1.7 -2,-0.4 2,-0.4 -0.907 30.7-116.4-100.9 130.8 8.2 21.1 19.9 30 36 A L E > - d 0 84A 0 -15,-2.7 3,-0.9 -2,-0.5 55,-0.2 -0.618 34.9-120.2 -72.0 125.2 5.6 22.4 17.4 31 37 A L T 3 S+ 0 0 14 53,-2.1 55,-0.1 -2,-0.4 3,-0.1 -0.400 81.0 3.4 -64.6 137.7 2.3 23.1 19.3 32 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.5 1,-0.2 2,-0.4 0.406 104.0 102.5 78.5 5.3 -1.0 21.4 18.5 33 39 A V E < -H 105 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.945 49.9-162.0-124.2 147.1 0.3 19.0 15.9 34 40 A D E -H 104 0B 74 70,-3.1 70,-2.6 -2,-0.4 -3,-0.0 -0.969 15.7-174.5-117.7 117.2 1.2 15.4 15.8 35 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.761 38.4 -98.9-100.7 151.9 3.4 14.2 12.9 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 -0.454 54.1-132.6 -60.8 141.9 4.4 10.6 12.1 37 43 A E - 0 0 47 1,-0.1 9,-2.8 2,-0.1 12,-0.2 -0.727 28.8-159.2-107.9 158.0 7.9 10.4 13.6 38 44 A T S S+ 0 0 43 -2,-0.3 2,-0.2 11,-0.3 -1,-0.1 0.590 83.7 64.8 -92.4 -19.7 11.2 9.1 12.5 39 45 A K + 0 0 119 10,-0.1 7,-0.2 6,-0.1 4,-0.1 -0.478 65.0 69.5-103.0 173.7 12.3 8.8 16.1 40 46 A H >> - 0 0 113 -2,-0.2 4,-2.9 3,-0.1 3,-0.9 0.642 64.2-130.9 81.8 122.3 11.1 6.8 19.1 41 47 A P T 34 S+ 0 0 121 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.557 91.6 90.0 -83.6 -9.5 11.9 3.0 19.1 42 48 A K T 34 S- 0 0 181 1,-0.2 -2,-0.1 2,-0.1 -3,-0.0 0.892 128.3 -14.5 -48.8 -43.2 8.3 2.1 20.0 43 49 A K T <4 S- 0 0 100 -3,-0.9 2,-0.7 -4,-0.1 -1,-0.2 0.428 89.4-158.7-133.8 -18.3 7.8 2.1 16.2 44 50 A G S < S+ 0 0 19 -4,-2.9 2,-0.9 -5,-0.1 -1,-0.1 -0.602 72.2 22.1 72.5-110.5 10.9 3.9 15.1 45 51 A V S S- 0 0 96 -2,-0.7 -7,-0.2 -4,-0.1 3,-0.1 -0.777 80.0-162.4 -95.6 100.9 10.2 5.2 11.6 46 52 A E > - 0 0 61 -9,-2.8 3,-1.9 -2,-0.9 2,-0.2 -0.342 35.0 -78.7 -78.7 164.8 6.5 5.5 11.0 47 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.411 120.2 12.4 -65.0 129.7 4.7 5.9 7.6 48 54 A Y T 3> S+ 0 0 41 -2,-0.2 4,-2.9 -3,-0.1 -1,-0.3 0.407 97.4 115.6 75.8 2.8 5.0 9.5 6.2 49 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.9 -12,-0.2 -11,-0.3 0.966 75.8 44.0 -65.1 -54.7 7.6 10.1 9.0 50 56 A P H > S+ 0 0 63 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.904 115.3 51.7 -57.2 -36.4 10.4 10.7 6.5 51 57 A E H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 111.6 44.1 -66.7 -45.7 8.0 12.9 4.5 52 58 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.919 114.7 51.4 -60.0 -42.6 6.9 15.0 7.4 53 59 A S H X S+ 0 0 25 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.915 110.5 46.5 -66.2 -41.8 10.5 15.3 8.5 54 60 A A H X S+ 0 0 33 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.903 110.4 55.3 -64.1 -38.3 11.7 16.5 5.1 55 61 A F H X S+ 0 0 54 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.969 111.1 42.0 -60.4 -53.0 8.9 19.0 4.8 56 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.960 115.0 51.7 -60.3 -44.1 9.7 20.7 8.0 57 63 A K H X S+ 0 0 86 -4,-2.0 4,-3.3 -5,-0.3 5,-0.3 0.966 112.3 44.6 -54.6 -55.3 13.4 20.6 7.3 58 64 A K H X S+ 0 0 115 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.931 112.3 52.7 -55.8 -43.8 13.1 22.2 3.9 59 65 A M H < S+ 0 0 36 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.909 116.7 37.1 -68.4 -35.2 10.6 24.8 5.0 60 66 A V H >< S+ 0 0 3 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.2 0.887 115.3 52.4 -84.0 -33.1 12.9 26.0 7.8 61 67 A E H 3< S+ 0 0 90 -4,-3.3 -2,-0.2 -5,-0.3 -3,-0.2 0.836 111.2 48.3 -69.3 -28.3 16.2 25.6 6.1 62 68 A N T 3< S+ 0 0 131 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.2 0.329 89.9 108.8 -92.3 4.3 15.0 27.7 3.1 63 69 A A < - 0 0 24 -3,-1.1 3,-0.2 -4,-0.2 -3,-0.0 -0.481 55.6-155.9 -80.6 151.5 13.5 30.5 5.1 64 70 A K S S+ 0 0 184 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.814 87.9 24.2 -83.6 -37.8 15.0 34.0 5.3 65 71 A K - 0 0 142 -58,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.999 64.6-167.7-133.5 129.0 13.3 34.7 8.7 66 72 A I E -AE 6 88A 15 -60,-0.7 -60,-1.9 -2,-0.4 2,-0.4 -0.928 12.9-174.6-110.0 138.4 12.1 32.2 11.3 67 73 A E E -AE 5 87A 55 20,-2.0 20,-2.5 -2,-0.4 2,-0.4 -0.976 13.2-146.9-131.0 146.1 9.9 33.5 14.1 68 74 A V E -AE 4 86A 0 -64,-3.5 -64,-2.6 -2,-0.4 2,-0.4 -0.921 8.2-166.5-114.9 145.4 8.6 31.7 17.3 69 75 A E E - E 0 85A 16 16,-2.1 16,-2.7 -2,-0.4 -66,-0.2 -0.949 8.9-153.4-130.6 107.8 5.3 32.5 18.8 70 76 A F E - E 0 84A 18 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.418 16.8-128.6 -75.4 156.2 4.5 31.2 22.3 71 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.160 32.6 -91.0 -90.2-171.3 0.9 30.5 23.3 72 78 A K S S+ 0 0 113 39,-0.6 40,-0.2 -2,-0.1 3,-0.1 0.559 103.5 51.0 -81.7 -10.8 -0.9 31.8 26.5 73 79 A G S S- 0 0 15 1,-0.3 37,-0.1 38,-0.1 2,-0.0 0.127 108.2 -14.8-104.0-140.9 -0.0 28.8 28.8 74 80 A Q - 0 0 120 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.402 49.9-155.9 -66.1 140.3 3.1 26.9 29.7 75 81 A R S S+ 0 0 110 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.471 73.0 41.8 -99.8 -5.9 6.0 27.6 27.3 76 82 A T B S-F 82 0A 78 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.945 71.5-136.9-133.0 158.8 8.0 24.4 27.9 77 83 A D > - 0 0 35 4,-1.9 3,-1.9 -2,-0.3 -2,-0.1 -0.446 44.0 -85.4-101.7-172.6 7.0 20.7 28.2 78 84 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.0 -2,-0.1 -2,-0.0 0.635 126.9 58.0 -75.6 -10.3 8.3 18.2 30.7 79 85 A Y T 3 S- 0 0 161 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.389 119.5-106.9 -93.7 4.6 11.3 17.4 28.4 80 86 A G S < S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -53,-0.3 0.578 73.1 141.6 85.7 4.6 12.4 21.0 28.5 81 87 A R - 0 0 61 -55,-0.1 -4,-1.9 1,-0.1 -1,-0.3 -0.632 55.3-114.7 -83.4 139.4 11.3 21.7 24.9 82 88 A G E -dF 28 76A 0 -55,-2.4 -53,-3.3 -2,-0.3 2,-0.6 -0.374 22.9-140.0 -64.7 147.0 9.8 25.1 24.1 83 89 A L E +d 29 0A 24 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.922 45.3 133.0-110.1 111.1 6.1 24.9 23.0 84 90 A A E -dE 30 70A 0 -55,-1.7 -53,-2.1 -2,-0.6 2,-0.4 -0.977 59.9-108.3-156.5 163.6 5.5 27.3 20.1 85 91 A Y E - E 0 69A 0 -16,-2.7 -16,-2.1 -2,-0.3 2,-0.4 -0.814 41.0-150.5 -91.1 133.8 4.0 28.1 16.7 86 92 A I E - E 0 68A 0 -2,-0.4 7,-3.1 -18,-0.2 8,-0.7 -0.968 8.8-161.5-115.9 135.8 6.9 28.4 14.3 87 93 A Y E -GE 92 67A 18 -20,-2.5 -20,-2.0 -2,-0.4 2,-0.5 -0.901 7.7-163.3-117.5 136.3 6.8 30.7 11.3 88 94 A A E > S-GE 91 66A 6 3,-2.5 3,-1.7 -2,-0.4 -22,-0.2 -0.983 84.3 -22.4-119.3 113.8 9.1 30.5 8.2 89 95 A D T 3 S- 0 0 72 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.907 130.4 -48.0 47.7 52.3 8.9 33.8 6.2 90 96 A G T 3 S+ 0 0 45 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.414 115.9 113.8 78.2 -9.1 5.5 34.5 7.7 91 97 A K E < -G 88 0A 143 -3,-1.7 -3,-2.5 4,-0.0 2,-0.3 -0.886 69.0-123.6-103.4 124.3 4.0 31.1 7.1 92 98 A M E > -G 87 0A 15 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.417 12.6-155.9 -67.8 124.0 3.2 28.9 10.1 93 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.2 -2,-0.3 5,-0.2 0.897 92.4 58.6 -63.1 -37.6 5.0 25.6 9.9 94 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.933 110.3 40.9 -58.7 -44.4 2.4 23.9 12.1 95 101 A E H > S+ 0 0 43 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.885 110.2 58.3 -69.2 -42.6 -0.5 24.8 9.8 96 102 A A H X S+ 0 0 14 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.913 106.7 49.0 -56.9 -42.3 1.5 24.0 6.6 97 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 6,-0.5 0.927 113.7 45.0 -63.5 -42.4 2.1 20.4 7.8 98 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 5,-0.2 0.922 109.3 55.7 -69.4 -40.1 -1.6 19.9 8.7 99 105 A R H 3<5S+ 0 0 66 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.828 108.5 49.1 -61.7 -31.1 -2.8 21.4 5.4 100 106 A Q T 3<5S- 0 0 79 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.346 116.8-111.3 -89.7 4.3 -0.6 18.9 3.5 101 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.6 2,-0.2 33,-0.2 0.820 86.7 118.8 70.0 30.1 -1.9 15.9 5.4 102 108 A L S -I 112 0C 168 3,-0.5 3,-2.1 -2,-0.3 -36,-0.1 -0.953 36.0-100.7-117.7 112.6 -4.4 21.3 26.4 110 116 A K T 3 S+ 0 0 160 -2,-0.5 0, 0.0 1,-0.3 0, 0.0 -0.442 100.1 25.1 -68.0 149.4 -6.0 24.7 27.4 111 117 A P T 3 S+ 0 0 53 0, 0.0 2,-1.9 0, 0.0 -39,-0.6 -0.930 110.0 73.3 -92.2 20.8 -5.0 27.4 27.4 112 118 A N B < S+I 109 0C 9 -3,-2.1 -3,-0.5 1,-0.2 -80,-0.1 -0.548 74.2 94.9 -87.3 69.9 -2.4 26.5 24.8 113 119 A N > + 0 0 38 -2,-1.9 3,-1.7 -5,-0.1 4,-0.4 0.117 32.8 129.2-143.7 24.6 -5.0 26.4 22.1 114 120 A S T 3 S+ 0 0 50 -3,-0.3 3,-0.2 1,-0.3 4,-0.2 0.802 84.9 33.5 -57.4 -38.3 -5.0 29.8 20.4 115 121 A H T 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.066 85.8 112.7-102.4 19.7 -4.7 28.5 16.8 116 122 A E H <> S+ 0 0 32 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.938 77.2 45.4 -59.5 -45.9 -6.7 25.3 17.4 117 123 A Q H > S+ 0 0 118 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.2 0.938 112.3 51.2 -65.6 -46.3 -9.7 26.3 15.2 118 124 A H H > S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.876 113.5 45.7 -54.9 -44.7 -7.5 27.5 12.3 119 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.898 109.7 53.3 -67.9 -40.8 -5.6 24.3 12.4 120 126 A R H X S+ 0 0 87 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.887 107.0 53.6 -64.2 -32.3 -8.7 22.1 12.6 121 127 A K H X S+ 0 0 146 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.885 109.7 46.9 -68.1 -37.0 -10.0 23.8 9.5 122 128 A S H X S+ 0 0 10 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.871 110.9 52.8 -71.5 -34.8 -6.9 23.1 7.6 123 129 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.918 106.5 52.7 -65.6 -38.9 -7.0 19.5 8.8 124 130 A A H X S+ 0 0 57 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 109.9 48.9 -64.8 -37.0 -10.6 19.2 7.5 125 131 A Q H X S+ 0 0 68 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.929 109.8 50.7 -67.2 -42.2 -9.5 20.4 4.1 126 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.3 0.908 111.7 48.0 -64.1 -35.9 -6.6 18.0 3.9 127 133 A K H ><5S+ 0 0 84 -4,-2.1 3,-0.6 3,-0.2 -1,-0.2 0.913 110.7 51.4 -65.9 -42.2 -8.9 15.1 4.8 128 134 A K H 3<5S+ 0 0 155 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.785 113.6 44.3 -64.5 -32.1 -11.4 16.2 2.2 129 135 A E T 3<5S- 0 0 82 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.460 107.9-132.2 -89.7 -3.4 -8.6 16.3 -0.4 130 136 A K T < 5 + 0 0 147 -3,-0.6 2,-0.3 -4,-0.3 -3,-0.2 0.895 40.1 177.4 53.8 44.8 -7.4 13.0 0.9 131 137 A L > < - 0 0 49 -5,-2.3 3,-2.9 3,-0.1 -1,-0.2 -0.627 46.4 -50.3 -82.0 137.1 -3.8 14.1 1.1 132 138 A N G > S+ 0 0 52 -2,-0.3 3,-2.5 1,-0.3 -30,-0.2 -0.093 136.3 26.2 47.8-103.3 -0.9 11.9 2.4 133 139 A I G 3 S+ 0 0 35 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.835 127.9 50.5 -64.4 -21.7 -2.0 10.5 5.8 134 140 A W G < 0 0 62 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.3 0.394 360.0 360.0 -91.5 6.7 -5.6 10.8 4.6 135 141 A S < 0 0 101 -3,-2.5 -4,-0.1 -34,-0.2 -5,-0.1 -0.618 360.0 360.0 -79.6 360.0 -5.0 9.1 1.3