==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (PHOSPHORIC DIESTER) 25-AUG-94 1KDA . COMPND 2 MOLECULE: STAPHYLOCOCCAL NUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.HODEL,R.O.FOX . 136 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 64.0 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 . 3 2.2 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 . 7 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.4 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 . 2 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 6 A K 0 0 248 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.2 -2.0 39.0 22.6 2 7 A L - 0 0 50 68,-0.0 2,-0.3 113,-0.0 70,-0.1 -0.570 360.0-161.4 -87.6 156.9 0.6 36.7 21.2 3 8 A H - 0 0 115 68,-0.3 68,-0.5 -2,-0.2 2,-0.2 -0.999 15.8-122.4-143.4 144.3 3.7 38.1 19.5 4 9 A K E -A 70 0A 93 -2,-0.3 66,-0.2 66,-0.2 83,-0.1 -0.584 25.8-166.6 -85.0 144.8 6.3 36.7 17.2 5 10 A E E -A 69 0A 34 64,-2.1 64,-2.8 -2,-0.2 2,-0.0 -0.978 25.0-104.9-130.3 146.7 10.0 36.7 18.1 6 11 A P E +A 68 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.336 41.0 167.9 -72.3 150.4 13.1 36.1 15.9 7 12 A A E -A 67 0A 13 60,-1.8 60,-0.7 15,-0.1 2,-0.4 -0.940 27.9-125.1-151.5 165.7 15.0 32.9 16.1 8 13 A T E -B 21 0A 94 13,-2.1 13,-2.9 -2,-0.3 2,-0.1 -0.982 25.1-117.4-125.0 128.8 17.8 31.2 14.0 9 14 A L E +B 20 0A 45 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.397 36.0 165.7 -62.8 131.9 17.6 27.7 12.6 10 15 A I E - 0 0 72 9,-2.3 2,-0.3 1,-0.2 10,-0.2 0.705 66.6 -22.5-108.1 -55.7 20.2 25.4 13.9 11 16 A K E -B 19 0A 109 8,-1.6 8,-3.4 0, 0.0 2,-0.4 -0.955 51.5-128.3-163.5 133.4 18.9 22.0 12.8 12 17 A A E +B 18 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.709 29.0 176.6 -82.0 130.0 15.6 20.4 11.8 13 18 A I - 0 0 47 4,-1.7 2,-0.3 -2,-0.4 5,-0.2 0.856 54.7 -19.6-103.8 -47.1 15.1 17.2 13.8 14 19 A D S S- 0 0 7 3,-2.6 3,-0.5 39,-0.1 -1,-0.3 -0.849 76.8 -81.9-150.3-178.9 11.7 15.7 13.0 15 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 83,-0.1 0.860 131.5 29.0 -61.5 -31.0 8.4 16.7 11.4 16 21 A D S S+ 0 0 4 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.318 116.9 62.4-113.1 10.1 7.3 18.2 14.8 17 22 A T E + C 0 30A 11 -3,-0.5 -3,-2.6 13,-0.2 -4,-1.7 -0.997 50.4 168.6-142.4 132.2 10.7 19.2 16.3 18 23 A V E -BC 12 29A 1 11,-1.9 11,-3.1 -2,-0.4 2,-0.5 -0.978 29.6-128.2-140.3 148.8 13.4 21.7 15.3 19 24 A K E +BC 11 28A 78 -8,-3.4 -9,-2.3 -2,-0.3 -8,-1.6 -0.884 34.4 178.5-100.7 130.2 16.4 23.1 17.1 20 25 A L E -BC 9 27A 0 7,-3.2 7,-2.9 -2,-0.5 2,-0.7 -0.899 35.5-122.0-131.2 158.7 16.7 26.8 17.1 21 26 A M E +BC 8 26A 67 -13,-2.9 -13,-2.1 -2,-0.3 2,-0.5 -0.908 40.1 178.2 -98.4 111.3 18.9 29.6 18.5 22 27 A Y E > - C 0 25A 30 3,-3.0 3,-1.9 -2,-0.7 -15,-0.1 -0.980 65.1 -15.3-124.4 119.7 16.6 31.6 20.6 23 28 A K T 3 S- 0 0 170 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.914 128.2 -54.7 55.0 45.5 17.9 34.6 22.6 24 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.392 120.1 107.6 72.7 -2.6 21.4 33.4 22.1 25 30 A Q E < -C 22 0A 119 -3,-1.9 -3,-3.0 2,-0.0 2,-0.3 -0.899 68.6-130.2-112.3 129.5 20.6 30.0 23.6 26 31 A P E +C 21 0A 49 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.609 41.7 161.6 -75.2 135.3 20.3 26.8 21.5 27 32 A M E -C 20 0A 40 -7,-2.9 -7,-3.2 -2,-0.3 2,-0.4 -0.996 39.8-114.1-157.4 153.4 17.1 24.9 22.2 28 33 A T E -C 19 0A 42 -2,-0.3 55,-2.7 -9,-0.2 2,-0.4 -0.737 28.6-158.3 -90.1 130.3 14.7 22.3 20.9 29 34 A F E -Cd 18 83A 0 -11,-3.1 -11,-1.9 -2,-0.4 2,-0.5 -0.931 6.0-153.9-113.5 133.4 11.2 23.4 20.0 30 35 A R E -Cd 17 84A 33 53,-3.2 55,-1.6 -2,-0.4 2,-0.4 -0.911 30.5-115.8-102.8 128.4 8.2 21.1 19.8 31 36 A L E > - d 0 85A 1 -15,-2.7 3,-1.0 -2,-0.5 55,-0.2 -0.541 34.8-118.3 -68.6 121.8 5.5 22.4 17.4 32 37 A L T 3 S+ 0 0 14 53,-2.4 55,-0.1 -2,-0.4 -1,-0.1 -0.268 82.1 2.4 -63.2 144.6 2.4 23.2 19.3 33 38 A L T 3 S+ 0 0 12 80,-0.1 74,-2.2 1,-0.1 2,-0.4 0.442 103.4 101.4 61.3 10.6 -0.9 21.5 18.6 34 39 A V E < -H 106 0B 0 -3,-1.0 2,-0.5 72,-0.3 72,-0.2 -0.932 49.6-160.4-129.7 149.9 0.2 19.0 15.9 35 40 A D E -H 105 0B 75 70,-2.5 70,-2.1 -2,-0.4 -3,-0.0 -0.960 16.7-173.3-125.6 109.1 1.2 15.3 15.8 36 41 A T - 0 0 7 -2,-0.5 68,-0.2 68,-0.2 2,-0.1 -0.696 38.0 -95.7-100.9 152.2 3.3 14.2 12.9 37 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.490 53.7-127.6 -62.8 137.4 4.2 10.6 12.0 38 43 A E - 0 0 44 1,-0.1 9,-2.3 -2,-0.1 12,-0.2 -0.601 33.7-174.7 -97.9 152.0 7.6 10.1 13.6 39 44 A T S S+ 0 0 38 11,-0.2 2,-0.3 7,-0.2 -1,-0.1 0.668 99.2 42.7 -99.8 -38.2 10.9 8.9 12.2 40 45 A K S S+ 0 0 123 10,-0.1 6,-0.1 -27,-0.0 -1,-0.1 -0.408 80.1 156.3-104.1 49.8 12.4 9.1 15.7 41 46 A H B > -I 45 0C 44 4,-1.4 4,-0.8 -2,-0.3 5,-0.0 -0.707 46.1-131.4 -80.9 127.3 9.5 7.6 17.6 42 47 A P T 4 S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.889 94.1 38.6 -41.7 -58.4 10.7 6.0 20.9 43 48 A K T 4 S- 0 0 139 1,-0.1 2,-2.0 2,-0.1 -2,-0.0 -0.722 133.2 -2.4 -97.2 150.8 8.8 2.8 20.4 44 49 A K T 4 S- 0 0 128 -2,-0.3 2,-0.9 1,-0.1 -1,-0.1 -0.012 88.8-142.0 61.6 -32.5 8.6 1.2 16.9 45 50 A G B < +I 41 0C 20 -2,-2.0 -4,-1.4 -4,-0.8 2,-0.5 -0.693 64.4 43.0 91.4-104.6 10.5 4.0 15.1 46 51 A V - 0 0 85 -2,-0.9 -7,-0.2 -6,-0.1 2,-0.2 -0.779 61.5-171.5 -95.0 127.5 9.3 5.1 11.7 47 52 A E > - 0 0 64 -9,-2.3 3,-1.9 -2,-0.5 2,-0.3 -0.588 41.2 -74.3-107.1 169.0 5.7 5.5 10.8 48 53 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -2,-0.2 -10,-0.0 -0.510 121.7 12.7 -67.8 125.9 3.9 6.1 7.4 49 54 A Y T 3> S+ 0 0 50 -2,-0.3 4,-2.7 -13,-0.1 -1,-0.3 0.381 92.8 118.4 85.3 3.1 4.5 9.7 6.3 50 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.4 -12,-0.2 -11,-0.2 0.970 78.5 41.4 -61.8 -53.6 7.1 10.2 8.9 51 56 A P H > S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.817 115.7 51.9 -63.5 -32.8 9.9 10.9 6.3 52 57 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.910 110.7 46.7 -70.1 -43.5 7.5 13.0 4.3 53 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.918 114.1 48.5 -64.8 -42.9 6.5 15.1 7.4 54 59 A S H X S+ 0 0 21 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.891 111.7 48.3 -64.9 -41.3 10.2 15.5 8.3 55 60 A A H X S+ 0 0 56 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.881 111.1 51.7 -67.6 -36.9 11.2 16.5 4.8 56 61 A F H X S+ 0 0 35 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.952 113.5 42.5 -63.5 -51.4 8.4 19.0 4.6 57 62 A T H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.950 116.6 49.1 -60.1 -47.4 9.3 20.7 7.9 58 63 A K H X S+ 0 0 106 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.932 112.8 46.4 -57.1 -51.2 13.0 20.6 7.1 59 64 A K H X S+ 0 0 103 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.914 112.7 50.6 -59.9 -46.1 12.5 22.1 3.6 60 65 A M H < S+ 0 0 27 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.929 116.6 38.3 -61.0 -47.5 10.2 24.8 4.9 61 66 A V H < S+ 0 0 3 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.856 115.1 53.0 -75.2 -33.0 12.6 26.0 7.7 62 67 A E H < S+ 0 0 98 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.784 110.5 45.5 -73.1 -30.1 15.8 25.6 5.7 63 68 A N S < S+ 0 0 123 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.471 91.6 115.3 -91.3 -1.0 14.7 27.7 2.8 64 69 A A - 0 0 22 -3,-0.5 3,-0.1 -4,-0.3 -3,-0.0 -0.392 53.5-159.4 -73.1 143.7 13.3 30.4 5.1 65 70 A K S S+ 0 0 166 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.795 84.7 23.3 -87.2 -36.9 14.7 33.9 5.1 66 71 A K - 0 0 120 -58,-0.0 24,-2.7 2,-0.0 2,-0.4 -0.999 66.8-161.9-136.2 131.3 13.3 34.6 8.6 67 72 A I E -AE 7 89A 14 -60,-0.7 -60,-1.8 -2,-0.4 2,-0.4 -0.943 14.1-178.0-111.3 132.8 12.3 32.2 11.3 68 73 A E E -AE 6 88A 57 20,-2.4 20,-3.2 -2,-0.4 2,-0.4 -0.986 13.9-150.1-132.4 142.6 10.0 33.4 14.1 69 74 A V E -AE 5 87A 0 -64,-2.8 -64,-2.1 -2,-0.4 2,-0.5 -0.889 5.2-162.8-111.6 143.5 8.6 31.6 17.2 70 75 A E E -AE 4 86A 14 16,-2.6 16,-2.6 -2,-0.4 -66,-0.2 -0.933 7.7-155.4-129.2 106.5 5.3 32.4 18.8 71 76 A F E - E 0 85A 19 -68,-0.5 -68,-0.3 -2,-0.5 14,-0.2 -0.469 15.4-134.4 -75.6 151.9 4.7 31.2 22.3 72 77 A D - 0 0 0 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.150 31.7 -89.3 -91.5-162.3 1.1 30.7 23.4 73 78 A K S S+ 0 0 111 39,-0.5 40,-0.2 -2,-0.1 3,-0.1 0.592 102.4 58.2 -89.6 -10.7 -0.5 31.8 26.7 74 79 A G S S- 0 0 13 1,-0.3 2,-0.1 38,-0.1 -2,-0.0 0.122 107.6 -23.2 -95.7-147.2 0.3 28.7 28.8 75 80 A Q - 0 0 106 1,-0.1 -1,-0.3 -4,-0.0 -3,-0.2 -0.354 50.5-152.6 -63.2 139.7 3.5 27.0 29.8 76 81 A R S S+ 0 0 119 -3,-0.1 8,-2.4 -5,-0.1 2,-0.3 0.480 74.7 40.6 -95.3 -5.2 6.4 27.7 27.3 77 82 A T B S-F 83 0A 79 6,-0.3 6,-0.2 -48,-0.1 2,-0.1 -0.986 72.9-136.8-142.3 145.4 8.4 24.5 27.8 78 83 A D > - 0 0 35 4,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.362 44.0 -83.4 -91.0-176.7 7.3 20.8 28.3 79 84 A K T 3 S+ 0 0 170 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.638 128.2 56.2 -63.3 -14.0 8.7 18.2 30.7 80 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.387 120.3-105.5 -98.2 2.4 11.6 17.5 28.4 81 86 A G S < S+ 0 0 46 -3,-2.1 2,-0.3 1,-0.3 -53,-0.2 0.534 72.4 144.7 87.0 5.8 12.7 21.1 28.2 82 87 A R - 0 0 67 -55,-0.1 -4,-2.1 -53,-0.1 -1,-0.3 -0.630 52.9-118.9 -81.9 133.9 11.4 21.6 24.7 83 88 A G E -dF 29 77A 0 -55,-2.7 -53,-3.2 -2,-0.3 2,-0.6 -0.458 23.2-141.5 -68.5 141.1 10.0 25.1 23.9 84 89 A L E +d 30 0A 23 -8,-2.4 -12,-0.6 -55,-0.2 2,-0.3 -0.934 44.5 124.2-109.6 114.0 6.3 24.9 23.0 85 90 A A E -dE 31 71A 1 -55,-1.6 -53,-2.4 -2,-0.6 2,-0.5 -0.963 62.8 -99.3-160.8 172.1 5.4 27.3 20.2 86 91 A Y E - E 0 70A 0 -16,-2.6 -16,-2.6 -2,-0.3 2,-0.5 -0.870 42.4-148.4 -97.2 129.3 4.0 28.1 16.8 87 92 A I E - E 0 69A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.916 9.3-160.5-108.3 132.5 6.9 28.4 14.3 88 93 A Y E -GE 93 68A 17 -20,-3.2 -20,-2.4 -2,-0.5 2,-0.5 -0.924 7.8-164.9-114.4 136.1 6.8 30.8 11.3 89 94 A A E > S-GE 92 67A 4 3,-2.8 3,-2.2 -2,-0.4 -22,-0.2 -0.979 83.1 -25.3-120.0 110.0 8.9 30.6 8.2 90 95 A D T 3 S- 0 0 57 -24,-2.7 -1,-0.1 -2,-0.5 -23,-0.1 0.881 128.9 -48.5 51.9 42.5 8.7 33.9 6.2 91 96 A G T 3 S+ 0 0 44 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.268 115.6 110.0 87.1 -14.2 5.3 34.6 7.7 92 97 A K E < S-G 89 0A 135 -3,-2.2 -3,-2.8 4,-0.0 2,-0.5 -0.834 70.8-122.2 -97.5 134.9 3.7 31.2 7.1 93 98 A M E > -G 88 0A 15 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.615 12.1-155.3 -78.2 122.3 3.1 29.0 10.2 94 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.900 93.6 58.9 -61.3 -40.8 4.8 25.6 9.8 95 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.924 110.6 40.7 -55.1 -48.4 2.3 24.1 12.2 96 101 A E H > S+ 0 0 41 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.926 110.8 57.5 -67.9 -44.7 -0.7 25.0 9.9 97 102 A A H X S+ 0 0 16 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.895 106.5 49.3 -52.5 -45.4 1.2 24.1 6.7 98 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 6,-0.5 0.921 113.8 45.5 -60.8 -47.3 1.8 20.5 8.0 99 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.0 -5,-0.2 5,-0.2 0.934 109.6 54.4 -63.1 -46.7 -1.9 20.1 8.9 100 105 A R H 3<5S+ 0 0 74 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.830 108.3 50.5 -56.9 -35.4 -3.1 21.6 5.6 101 106 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.366 115.2-116.0 -83.8 2.9 -1.0 19.1 3.7 102 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.3 2,-0.2 -3,-0.2 0.856 84.8 119.9 65.3 30.8 -2.4 16.2 5.7 103 108 A L S + 0 0 58 -2,-1.8 3,-1.7 -4,-0.1 4,-0.4 0.210 25.7 122.7-140.4 18.9 -4.9 26.5 22.5 115 120 A T T 3 S+ 0 0 64 -3,-0.3 3,-0.3 1,-0.3 4,-0.2 0.840 86.6 34.6 -53.4 -40.4 -5.0 29.9 20.8 116 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.214 83.9 108.5-102.6 17.2 -4.8 28.5 17.2 117 122 A E H <> S+ 0 0 40 -3,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.907 80.8 47.9 -59.5 -43.7 -6.7 25.3 17.7 118 123 A Q H > S+ 0 0 126 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.920 111.1 50.8 -63.0 -45.7 -9.7 26.4 15.7 119 124 A H H > S+ 0 0 89 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.939 114.0 44.5 -58.1 -47.9 -7.5 27.7 12.8 120 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.873 108.6 57.7 -64.9 -39.1 -5.7 24.3 12.7 121 126 A R H X S+ 0 0 88 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.914 106.0 50.0 -57.5 -45.3 -9.0 22.4 13.0 122 127 A K H X S+ 0 0 149 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.927 111.3 47.4 -62.0 -44.0 -10.3 24.1 9.9 123 128 A S H X S+ 0 0 13 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.875 111.1 52.0 -66.3 -36.6 -7.2 23.3 7.8 124 129 A E H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 107.5 52.7 -65.9 -38.7 -7.3 19.7 9.0 125 130 A A H X S+ 0 0 43 -4,-2.2 4,-2.2 2,-0.2 3,-0.2 0.964 110.2 48.1 -61.0 -47.6 -10.9 19.4 8.0 126 131 A Q H X S+ 0 0 69 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.911 109.4 53.2 -58.9 -44.7 -9.9 20.7 4.5 127 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 -1,-0.2 0.853 111.2 45.2 -61.1 -38.6 -7.0 18.2 4.3 128 133 A K H ><5S+ 0 0 83 -4,-2.1 3,-0.9 -3,-0.2 -1,-0.2 0.850 109.5 55.4 -76.3 -26.3 -9.3 15.2 5.1 129 134 A K H 3<5S+ 0 0 151 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.877 111.6 44.2 -69.5 -35.9 -11.9 16.5 2.6 130 135 A E T 3<5S- 0 0 80 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.369 110.7-127.7 -87.7 1.7 -9.2 16.5 -0.1 131 136 A K T < 5 - 0 0 114 -3,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.856 41.0-178.0 52.4 45.3 -8.0 13.1 1.1 132 137 A L > < - 0 0 43 -5,-2.4 3,-2.8 -6,-0.1 -1,-0.2 -0.575 45.9 -61.3 -81.3 135.4 -4.4 14.3 1.4 133 138 A N G > S+ 0 0 53 -2,-0.3 3,-1.4 1,-0.3 -30,-0.2 0.002 135.8 30.5 33.3 -97.5 -1.6 11.9 2.5 134 139 A I G 3 S+ 0 0 52 -32,-2.3 2,-0.4 1,-0.3 -1,-0.3 0.905 119.9 58.5 -51.2 -42.1 -2.6 10.8 6.0 135 140 A W G < 0 0 42 -3,-2.8 -1,-0.3 -33,-0.2 -2,-0.2 -0.013 360.0 360.0 -82.1 30.5 -6.3 11.2 5.0 136 141 A S < 0 0 111 -3,-1.4 -4,-0.1 -2,-0.4 -8,-0.0 -0.838 360.0 360.0 -94.3 360.0 -6.2 8.8 2.1