==== 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 13-NOV-05 2F0N . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.Z.LU,J.SAKON,W.E.STITES . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 70.6 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 . 38 27.9 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 . 3 2.2 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 . 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 20.6 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 2 0 1 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 6 A K 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 -15.0 26.1 -7.9 2 7 A L - 0 0 26 68,-0.1 2,-0.3 1,-0.0 70,-0.1 -0.296 360.0-157.3 -62.0 157.7 -12.5 23.5 -6.8 3 8 A H - 0 0 101 68,-0.3 68,-0.5 69,-0.1 2,-0.3 -0.998 11.3-127.4-142.9 138.1 -14.0 20.4 -5.3 4 9 A K E -A 70 0A 92 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.598 22.7-163.6 -83.5 146.1 -12.6 17.8 -2.9 5 10 A E E -A 69 0A 29 64,-2.8 64,-3.0 -2,-0.3 2,-0.0 -0.973 24.7-106.3-129.2 147.4 -12.7 14.1 -3.8 6 11 A P E +A 68 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.336 42.2 170.7 -70.6 152.0 -12.2 11.1 -1.5 7 12 A A E -A 67 0A 12 60,-1.6 60,-0.6 15,-0.1 2,-0.4 -0.939 25.7-127.1-154.4 161.2 -8.9 9.1 -1.8 8 13 A T E -B 21 0A 99 13,-1.7 13,-3.5 -2,-0.3 58,-0.0 -0.962 24.9-116.3-123.1 137.8 -7.2 6.4 0.1 9 14 A L E +B 20 0A 49 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.309 34.1 166.9 -64.9 141.1 -3.7 6.4 1.5 10 15 A I E - 0 0 75 9,-2.4 2,-0.3 1,-0.2 10,-0.2 0.684 66.7 -27.1-110.2 -55.9 -1.3 3.9 0.1 11 16 A K E -B 19 0A 128 8,-2.0 8,-3.6 0, 0.0 2,-0.3 -0.942 49.7-128.1-160.2 130.0 2.1 5.1 1.3 12 17 A A E -B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.678 27.3-179.3 -74.0 135.7 3.7 8.4 2.3 13 18 A I E - 0 0 44 4,-2.5 2,-0.3 1,-0.4 5,-0.2 0.736 55.0 -26.7-110.2 -30.2 6.9 8.7 0.3 14 19 A D E > S-B 17 0A 5 3,-1.7 3,-0.6 40,-0.1 -1,-0.4 -0.935 79.5 -70.5-167.4-179.8 8.5 12.0 1.4 15 20 A G T 3 S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.848 131.8 24.9 -53.7 -37.9 7.6 15.5 2.8 16 21 A D T 3 S+ 0 0 4 20,-0.1 15,-2.7 1,-0.1 2,-0.4 0.279 114.8 68.9-119.3 10.9 6.0 16.6 -0.5 17 22 A T E < +BC 14 30A 13 -3,-0.6 -4,-2.5 13,-0.2 -3,-1.7 -0.983 49.1 174.5-140.1 128.5 4.9 13.2 -2.1 18 23 A V E -BC 12 29A 1 11,-2.4 11,-3.1 -2,-0.4 2,-0.5 -0.988 26.1-135.5-131.4 140.3 2.3 10.7 -1.2 19 24 A K E +BC 11 28A 85 -8,-3.6 -9,-2.4 -2,-0.4 -8,-2.0 -0.873 37.5 171.9 -93.7 127.2 1.1 7.5 -3.0 20 25 A I E -BC 9 27A 0 7,-3.0 7,-2.4 -2,-0.5 2,-0.8 -0.947 39.7-116.7-136.7 150.6 -2.7 7.4 -2.9 21 26 A M E -BC 8 26A 66 -13,-3.5 -13,-1.7 -2,-0.3 2,-0.5 -0.792 38.8-177.8 -85.3 112.0 -5.6 5.3 -4.4 22 27 A Y E > - C 0 25A 11 3,-3.0 3,-2.1 -2,-0.8 -15,-0.1 -0.949 66.3 -21.3-118.5 121.6 -7.5 7.7 -6.6 23 28 A K T 3 S- 0 0 141 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.884 131.0 -47.3 49.5 46.1 -10.7 6.6 -8.4 24 29 A G T 3 S+ 0 0 66 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.239 119.5 100.6 84.7 -11.1 -9.4 3.0 -8.1 25 30 A Q E < S-C 22 0A 94 -3,-2.1 -3,-3.0 2,-0.0 2,-0.3 -0.886 72.6-118.3-119.0 144.4 -5.9 3.5 -9.3 26 31 A P E +C 21 0A 87 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.556 43.9 170.3 -70.1 131.2 -2.6 3.9 -7.5 27 32 A M E -C 20 0A 42 -7,-2.4 -7,-3.0 -2,-0.3 2,-0.4 -0.994 34.6-127.6-143.5 144.6 -1.1 7.3 -8.2 28 33 A T E -C 19 0A 39 -2,-0.3 55,-2.7 53,-0.3 2,-0.4 -0.784 29.1-159.0 -86.3 128.9 1.8 9.3 -6.9 29 34 A F E -Cd 18 83A 0 -11,-3.1 -11,-2.4 -2,-0.4 2,-0.4 -0.949 8.5-153.5-115.4 138.1 0.7 12.8 -5.8 30 35 A R E -Cd 17 84A 33 53,-3.0 55,-1.7 -2,-0.4 2,-0.4 -0.903 30.2-114.9-101.6 129.9 3.0 15.8 -5.5 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-0.9 -2,-0.4 55,-0.2 -0.601 35.4-120.4 -70.1 123.1 1.7 18.5 -3.0 32 37 A L T 3 S+ 0 0 14 53,-2.2 55,-0.1 -2,-0.4 -1,-0.1 -0.312 81.5 4.5 -62.4 141.1 0.9 21.7 -4.8 33 38 A L T 3 S+ 0 0 11 75,-0.2 74,-2.2 1,-0.1 2,-0.4 0.388 105.1 99.2 78.0 4.1 2.6 25.0 -4.0 34 39 A V E < -H 106 0B 0 -3,-0.9 2,-0.5 72,-0.3 72,-0.2 -0.946 50.8-160.3-129.4 146.9 5.1 23.8 -1.5 35 40 A D E -H 105 0B 67 70,-3.1 70,-2.4 -2,-0.4 3,-0.0 -0.971 15.0-171.8-118.6 118.5 8.7 22.8 -1.4 36 41 A T - 0 0 5 -2,-0.5 68,-0.2 68,-0.2 -20,-0.1 -0.728 36.6-101.3 -98.6 150.4 9.9 20.6 1.5 37 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.436 53.3-132.4 -60.5 145.0 13.5 19.7 2.3 38 43 A E - 0 0 34 1,-0.1 9,-2.0 -24,-0.1 3,-0.2 -0.711 28.3-158.6-112.5 160.9 13.8 16.2 0.9 39 44 A T S S+ 0 0 35 7,-0.3 -1,-0.1 -2,-0.2 -25,-0.1 0.616 104.8 31.3-100.7 -21.8 15.2 12.9 2.1 40 45 A K S S+ 0 0 108 6,-0.1 6,-0.2 10,-0.1 -1,-0.2 -0.544 82.7 163.6-135.4 60.0 15.6 11.7 -1.5 41 46 A H B > -I 45 0C 53 4,-1.9 4,-0.8 -3,-0.2 5,-0.0 -0.611 50.5-109.1 -75.4 140.2 16.3 14.9 -3.5 42 47 A P T 4 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.795 105.0 7.8 -38.4 -47.8 17.7 14.4 -7.0 43 48 A K T 4 S+ 0 0 171 2,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.861 129.8 40.0-109.9 -50.4 21.2 15.6 -6.1 44 49 A K T 4 S- 0 0 129 1,-0.2 2,-0.7 -4,-0.0 -5,-0.0 0.772 80.4-151.8 -82.5 -27.5 21.9 16.3 -2.4 45 50 A G B < +I 41 0C 25 -4,-0.8 -4,-1.9 1,-0.1 2,-0.8 -0.846 67.0 17.5 98.7-115.8 20.1 13.4 -0.7 46 51 A V S S- 0 0 79 -2,-0.7 -7,-0.3 -6,-0.2 3,-0.1 -0.729 74.4-168.2-106.5 82.8 18.8 14.0 2.8 47 52 A E > - 0 0 62 -9,-2.0 3,-1.7 -2,-0.8 2,-0.2 -0.177 36.3 -75.9 -71.3 167.6 18.6 17.8 3.5 48 53 A K T 3 S+ 0 0 157 1,-0.3 -1,-0.1 2,-0.2 -10,-0.0 -0.439 120.2 14.4 -70.2 127.9 18.1 19.4 6.9 49 54 A Y T 3> S+ 0 0 37 -2,-0.2 4,-2.8 -3,-0.1 5,-0.3 0.330 97.5 113.8 82.1 2.0 14.5 19.2 8.2 50 55 A G H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 5,-0.2 0.980 75.8 44.3 -62.6 -57.9 13.9 16.6 5.5 51 56 A P H > S+ 0 0 68 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.895 116.3 50.3 -56.1 -37.3 13.4 13.7 7.9 52 57 A E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 110.2 46.0 -69.1 -42.7 11.1 16.1 10.0 53 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.914 114.6 51.7 -62.2 -39.1 9.0 17.3 7.0 54 59 A S H X S+ 0 0 25 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.907 109.6 46.2 -69.0 -37.9 8.7 13.7 6.0 55 60 A A H X S+ 0 0 52 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.894 110.6 55.6 -72.3 -33.9 7.6 12.4 9.4 56 61 A F H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.965 110.0 43.1 -62.9 -53.8 5.1 15.3 9.6 57 62 A T H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.958 114.7 51.5 -56.8 -44.6 3.3 14.5 6.4 58 63 A K H X S+ 0 0 81 -4,-1.8 4,-3.1 -5,-0.3 5,-0.3 0.965 111.4 45.7 -58.5 -49.3 3.3 10.7 7.1 59 64 A K H X S+ 0 0 103 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.933 113.4 50.9 -59.2 -43.7 1.8 11.1 10.6 60 65 A M H < S+ 0 0 36 -4,-2.3 4,-0.2 -5,-0.3 -1,-0.2 0.946 117.2 36.1 -67.2 -44.5 -0.8 13.5 9.3 61 66 A V H >< S+ 0 0 5 -4,-2.9 3,-0.9 -5,-0.2 -1,-0.2 0.878 117.2 53.2 -79.7 -29.0 -2.0 11.3 6.4 62 67 A E H 3< S+ 0 0 84 -4,-3.1 -2,-0.2 -5,-0.4 -1,-0.2 0.887 110.9 46.0 -67.1 -35.2 -1.6 8.0 8.3 63 68 A N T 3< S+ 0 0 114 -4,-2.3 -1,-0.2 -5,-0.3 2,-0.2 0.347 89.2 113.3 -88.8 4.1 -3.7 9.2 11.2 64 69 A A < - 0 0 25 -3,-0.9 3,-0.2 -4,-0.2 -3,-0.0 -0.482 53.6-158.0 -77.9 143.9 -6.5 10.7 9.2 65 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.866 88.0 25.5 -75.6 -38.7 -10.0 9.2 9.2 66 71 A K - 0 0 101 -58,-0.0 24,-2.9 -60,-0.0 2,-0.4 -0.997 66.8-167.9-129.5 128.0 -10.7 10.8 5.8 67 72 A L E -AE 7 89A 14 -60,-0.6 -60,-1.6 -2,-0.4 2,-0.3 -0.935 12.6-177.7-111.1 139.4 -8.2 11.9 3.1 68 73 A E E -AE 6 88A 45 20,-2.1 20,-2.4 -2,-0.4 2,-0.4 -0.976 15.9-145.6-134.1 152.2 -9.4 14.1 0.2 69 74 A V E -AE 5 87A 0 -64,-3.0 -64,-2.8 -2,-0.3 2,-0.4 -0.901 8.8-167.4-116.4 144.2 -7.7 15.4 -2.9 70 75 A E E -AE 4 86A 10 16,-2.0 16,-2.9 -2,-0.4 -66,-0.2 -0.958 10.1-153.6-132.0 107.2 -8.4 18.8 -4.4 71 76 A F E - E 0 85A 15 -68,-0.5 -68,-0.3 -2,-0.4 14,-0.2 -0.483 16.0-127.5 -76.1 156.0 -7.1 19.5 -7.9 72 77 A D - 0 0 4 12,-0.6 41,-0.1 3,-0.3 -1,-0.1 -0.117 33.0 -93.2 -89.9-164.8 -6.4 23.1 -8.9 73 78 A K S S+ 0 0 125 39,-0.6 40,-0.2 -71,-0.0 3,-0.1 0.577 102.6 54.4 -91.3 -6.1 -7.8 24.8 -12.1 74 79 A G S S- 0 0 20 1,-0.3 37,-0.1 38,-0.1 -2,-0.0 0.128 108.4 -18.3-102.1-144.2 -4.8 24.0 -14.4 75 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.3 -0.290 50.1-155.9 -63.1 145.9 -2.9 20.9 -15.3 76 81 A R S S+ 0 0 115 -3,-0.1 8,-2.5 -5,-0.1 2,-0.3 0.470 73.1 43.6-105.0 -2.8 -3.5 18.0 -12.9 77 82 A T B S-F 83 0A 75 6,-0.3 6,-0.2 -48,-0.1 2,-0.2 -0.972 71.6-138.8-136.3 153.2 -0.3 16.0 -13.6 78 83 A D > - 0 0 35 4,-1.8 3,-2.3 -2,-0.3 -2,-0.0 -0.444 44.5 -83.2-101.2-174.6 3.3 17.0 -14.0 79 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.646 126.7 58.0 -67.3 -13.1 5.9 15.7 -16.5 80 85 A Y T 3 S- 0 0 159 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.417 119.4-105.5 -97.3 6.5 6.6 12.7 -14.2 81 86 A G S < S+ 0 0 47 -3,-2.3 2,-0.3 1,-0.3 -53,-0.3 0.624 72.8 143.8 87.5 4.5 3.1 11.5 -14.2 82 87 A R - 0 0 63 -55,-0.1 -4,-1.8 -53,-0.1 -1,-0.3 -0.628 53.8-115.6 -85.4 140.0 2.4 12.7 -10.6 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.0 -2,-0.3 2,-0.6 -0.453 24.4-142.9 -63.9 142.9 -1.0 14.1 -9.6 84 89 A L E +d 30 0A 23 -8,-2.5 -12,-0.6 -55,-0.2 2,-0.3 -0.943 43.8 124.1-112.0 111.8 -0.8 17.8 -8.6 85 90 A A E -dE 31 71A 0 -55,-1.7 -53,-2.2 -2,-0.6 2,-0.4 -0.980 62.3-100.0-160.2 166.7 -3.2 18.6 -5.8 86 91 A Y E - E 0 70A 0 -16,-2.9 -16,-2.0 -2,-0.3 2,-0.4 -0.816 41.0-150.3 -90.4 132.1 -4.0 20.0 -2.4 87 92 A I E - E 0 69A 0 -2,-0.4 7,-2.8 -18,-0.2 8,-0.7 -0.948 8.5-161.8-110.4 133.6 -4.3 17.1 0.1 88 93 A Y E -GE 93 68A 16 -20,-2.4 -20,-2.1 -2,-0.4 2,-0.5 -0.918 7.3-163.5-115.8 134.5 -6.7 17.3 3.1 89 94 A A E > S-GE 92 67A 5 3,-2.7 3,-2.2 -2,-0.4 -22,-0.2 -0.989 83.9 -24.0-115.6 114.6 -6.6 15.0 6.2 90 95 A D T 3 S- 0 0 53 -24,-2.9 -1,-0.2 -2,-0.5 -23,-0.1 0.890 130.1 -47.1 44.0 51.0 -9.8 15.3 8.2 91 96 A G T 3 S+ 0 0 49 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.418 115.5 115.0 80.7 -6.1 -10.5 18.7 6.7 92 97 A K E < -G 89 0A 137 -3,-2.2 -3,-2.7 4,-0.0 2,-0.5 -0.904 67.9-125.8-103.2 124.8 -7.0 20.1 7.3 93 98 A M E > -G 88 0A 18 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.468 12.6-156.6 -72.8 118.3 -4.9 20.9 4.3 94 99 A V H > S+ 0 0 0 -7,-2.8 4,-2.1 -2,-0.5 5,-0.2 0.892 91.5 58.9 -58.8 -37.9 -1.6 19.1 4.5 95 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.948 110.5 41.2 -60.4 -43.6 0.1 21.7 2.3 96 101 A E H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.913 109.2 58.2 -70.8 -42.3 -0.8 24.6 4.6 97 102 A A H X S+ 0 0 18 -4,-2.5 4,-1.9 1,-0.2 6,-0.2 0.917 106.5 50.1 -54.3 -41.6 0.0 22.7 7.8 98 103 A L H <>S+ 0 0 0 -4,-2.1 5,-3.0 -5,-0.2 6,-0.5 0.923 114.3 43.2 -61.9 -43.4 3.6 22.1 6.5 99 104 A V H ><5S+ 0 0 0 -4,-1.4 3,-1.8 4,-0.2 5,-0.2 0.902 110.0 56.2 -69.8 -41.3 4.1 25.8 5.7 100 105 A R H 3<5S+ 0 0 69 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 109.0 48.6 -60.1 -35.5 2.5 26.9 8.9 101 106 A Q T 3<5S- 0 0 81 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.353 116.2-111.3 -84.8 6.8 5.0 24.8 10.9 102 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-1.8 2,-0.2 33,-0.2 0.839 87.6 117.8 68.3 26.6 8.1 26.1 9.0 103 108 A L S -J 113 0D 164 3,-0.6 3,-2.4 -2,-0.2 -77,-0.0 -0.945 34.2 -98.9-128.1 108.1 2.7 28.5 -12.0 111 116 A K T 3 S+ 0 0 167 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.350 100.9 22.4 -65.7 152.9 -0.6 30.1 -13.0 112 117 A P T 3 S+ 0 0 57 0, 0.0 2,-1.8 0, 0.0 -39,-0.6 -0.903 111.4 72.8 -94.5 23.5 -3.4 29.1 -13.1 113 118 A N B < S+J 110 0D 10 -3,-2.4 -3,-0.6 1,-0.2 -80,-0.1 -0.527 76.6 93.9 -87.2 70.6 -2.4 26.4 -10.5 114 119 A N > + 0 0 31 -2,-1.8 3,-2.0 -5,-0.1 4,-0.4 0.241 33.4 126.8-144.7 17.6 -2.3 29.1 -7.8 115 120 A T T 3 S+ 0 0 61 -3,-0.4 3,-0.4 1,-0.3 4,-0.3 0.892 84.9 35.3 -50.6 -50.7 -5.7 29.2 -6.1 116 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.228 87.0 111.3 -93.0 21.0 -4.5 28.8 -2.5 117 122 A E H <> S+ 0 0 36 -3,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.958 77.8 43.2 -59.6 -50.0 -1.3 30.8 -3.1 118 123 A Q H > S+ 0 0 126 -3,-0.4 4,-1.9 -4,-0.4 -1,-0.2 0.926 112.7 54.0 -63.3 -42.8 -2.1 33.8 -1.0 119 124 A H H > S+ 0 0 93 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.885 111.9 45.1 -54.0 -45.5 -3.5 31.7 1.8 120 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 108.9 54.6 -70.8 -41.1 -0.2 29.7 1.9 121 126 A R H X S+ 0 0 96 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.864 104.9 55.8 -62.2 -31.8 2.0 32.8 1.7 122 127 A K H X S+ 0 0 140 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.899 109.8 44.8 -64.7 -44.6 0.1 34.2 4.8 123 128 A S H X S+ 0 0 13 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.859 111.5 53.6 -68.5 -34.5 1.0 31.0 6.8 124 129 A E H X S+ 0 0 26 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.905 106.8 50.7 -67.1 -40.0 4.6 31.1 5.6 125 130 A A H X S+ 0 0 41 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.883 111.4 50.2 -62.7 -38.6 5.0 34.7 6.7 126 131 A Q H X S+ 0 0 72 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.919 108.9 49.7 -65.0 -43.9 3.6 33.7 10.1 127 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.2 0.881 112.1 48.8 -67.0 -30.9 6.0 30.7 10.4 128 133 A K H ><5S+ 0 0 81 -4,-2.0 3,-1.0 2,-0.2 -1,-0.2 0.931 109.8 51.4 -70.4 -41.7 9.0 33.0 9.6 129 134 A K H 3<5S+ 0 0 135 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.824 112.3 46.6 -61.2 -33.7 7.8 35.5 12.1 130 135 A E T 3<5S- 0 0 75 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.458 108.6-131.3 -86.5 -2.7 7.7 32.7 14.7 131 136 A K T < 5 + 0 0 138 -3,-1.0 2,-0.3 -4,-0.2 -3,-0.2 0.873 40.3 179.5 58.0 39.5 11.1 31.6 13.5 132 137 A L > < - 0 0 47 -5,-2.2 3,-2.9 3,-0.1 -1,-0.2 -0.604 45.1 -57.6 -83.8 134.6 9.9 27.9 13.2 133 138 A N G > S+ 0 0 52 1,-0.3 3,-4.1 -2,-0.3 -30,-0.1 -0.049 135.7 29.2 43.7-108.1 12.2 25.1 12.1 134 139 A I G 3 S+ 0 0 44 -32,-1.8 -1,-0.3 1,-0.3 -31,-0.1 0.763 127.2 49.8 -45.1 -31.7 13.5 26.1 8.6 135 140 A W G < 0 0 68 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.3 0.349 360.0 360.0 -92.6 5.2 13.1 29.6 9.7 136 141 A S < 0 0 106 -3,-4.1 -4,-0.1 -34,-0.2 -5,-0.1 -0.190 360.0 360.0 -92.8 360.0 15.0 29.1 13.0