==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-04 1TQO . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR D.M.NGUYEN,R.L.REYNALD,A.G.GITTIS,E.E.LATTMAN . 131 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7335.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 23.7 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 2.3 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 . 10 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 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 . 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 7 A L 0 0 96 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 156.2 -1.4 -8.5 -3.7 2 8 A H - 0 0 111 62,-0.4 62,-0.5 63,-0.1 2,-0.2 -0.999 360.0-120.1-143.6 141.9 1.9 -7.3 -5.1 3 9 A K - 0 0 86 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.560 30.2-167.4 -79.5 140.5 4.8 -5.2 -3.8 4 10 A E E -A 62 0A 20 58,-2.5 58,-2.9 -2,-0.2 2,-0.0 -0.946 25.3 -96.3-128.5 153.0 5.7 -2.1 -5.7 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.301 44.3 161.7 -69.7 147.8 8.7 0.3 -5.6 6 12 A A E -A 60 0A 13 54,-1.5 54,-0.6 15,-0.1 2,-0.4 -0.954 25.5-137.6-156.8 160.0 8.8 3.5 -3.6 7 13 A T E -B 20 0A 94 13,-1.9 13,-3.0 -2,-0.3 2,-0.2 -0.993 24.4-111.3-131.8 135.5 11.5 5.8 -2.3 8 14 A L E +B 19 0A 51 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.407 35.9 166.7 -65.7 128.6 11.8 7.5 1.1 9 15 A I E S- 0 0 81 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.749 70.4 -20.3-102.7 -50.7 11.4 11.2 1.0 10 16 A K E -B 18 0A 132 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.965 57.2-122.1-163.1 136.8 11.0 11.7 4.8 11 17 A A E +B 17 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.524 31.4 175.0 -75.3 145.5 10.1 9.8 7.9 12 18 A I - 0 0 74 4,-0.9 2,-0.2 1,-0.4 5,-0.2 0.591 45.3 -55.5-115.2 -77.2 7.1 11.3 9.7 13 19 A D S S- 0 0 23 3,-1.7 -1,-0.4 33,-0.1 3,-0.4 -0.744 72.3 -49.5-150.0-160.7 5.9 9.3 12.6 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.2 77,-0.1 0.872 129.6 15.5 -51.2 -50.3 4.7 5.9 13.8 15 21 A D S S+ 0 0 6 20,-0.1 15,-2.9 21,-0.1 2,-0.3 0.309 118.1 61.6-115.1 11.4 2.0 5.3 11.2 16 22 A T E + C 0 29A 13 -3,-0.4 -3,-1.7 13,-0.2 -4,-0.9 -0.963 51.2 173.3-134.4 152.5 2.8 7.8 8.4 17 23 A V E -BC 11 28A 7 11,-1.6 11,-3.0 -2,-0.3 2,-0.6 -0.983 31.4-120.3-155.6 148.6 5.7 8.3 6.1 18 24 A K E +BC 10 27A 65 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.874 42.9 168.0 -97.9 118.4 6.5 10.5 3.0 19 25 A L E -BC 8 26A 0 7,-2.7 7,-3.2 -2,-0.6 2,-0.5 -0.924 39.0-122.3-131.6 157.2 7.4 8.5 -0.0 20 26 A M E -BC 7 25A 77 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.4 -0.837 33.6-178.4 -94.1 128.7 7.9 8.9 -3.8 21 27 A Y E > - C 0 24A 16 3,-2.6 3,-1.7 -2,-0.5 -15,-0.1 -0.956 68.9 -20.5-135.7 113.8 5.5 6.5 -5.6 22 28 A K T 3 S- 0 0 159 -2,-0.4 -1,-0.1 -17,-0.4 -16,-0.1 0.854 129.5 -50.1 55.9 38.2 5.6 6.4 -9.4 23 29 A G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.388 117.4 109.8 85.3 -4.1 7.3 9.8 -9.5 24 30 A Q E < -C 21 0A 92 -3,-1.7 -3,-2.6 2,-0.0 2,-0.4 -0.909 68.1-127.9-111.9 132.0 4.8 11.5 -7.1 25 31 A P E +C 20 0A 80 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.612 43.3 169.5 -74.0 124.6 5.5 12.6 -3.6 26 32 A M E -C 19 0A 27 -7,-3.2 -7,-2.7 -2,-0.4 2,-0.5 -0.948 38.7-124.0-139.6 159.0 2.9 11.1 -1.3 27 33 A T E -C 18 0A 42 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.893 30.4-157.2-101.2 125.6 2.0 10.6 2.3 28 34 A F E -Cd 17 76A 4 -11,-3.0 -11,-1.6 -2,-0.5 2,-0.5 -0.901 5.5-154.0-107.2 138.5 1.4 7.0 3.1 29 35 A R E -Cd 16 77A 43 47,-3.4 49,-1.2 -2,-0.4 2,-0.2 -0.965 28.2-116.4-111.3 120.9 -0.7 5.8 6.1 30 36 A L E > - d 0 78A 5 -15,-2.9 3,-1.0 -2,-0.5 49,-0.2 -0.407 32.6-120.8 -60.8 121.9 0.2 2.3 7.3 31 37 A L T 3 S+ 0 0 8 47,-1.9 49,-0.1 -2,-0.2 -1,-0.1 -0.305 82.9 2.7 -65.9 144.4 -2.7 -0.1 6.9 32 38 A L T 3 S+ 0 0 9 69,-0.2 68,-2.2 1,-0.1 2,-0.3 0.519 105.5 102.9 59.1 13.9 -4.2 -2.0 9.9 33 39 A V E < -H 99 0B 0 -3,-1.0 2,-0.4 66,-0.3 66,-0.2 -0.945 48.7-164.1-130.2 147.5 -2.1 -0.3 12.6 34 40 A D E -H 98 0B 78 64,-2.3 64,-2.2 -2,-0.3 -3,-0.0 -0.956 15.0-174.5-128.7 109.3 -2.6 2.5 15.2 35 41 A T - 0 0 11 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.716 34.1 -99.5-102.1 152.5 0.5 3.9 16.7 36 42 A P - 0 0 18 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.451 47.4-102.4 -68.2 145.5 0.6 6.5 19.5 37 43 A E > - 0 0 109 1,-0.1 3,-1.8 -2,-0.1 6,-0.2 -0.269 37.6-100.4 -64.1 158.8 1.1 10.1 18.3 38 50 A F T 3 S+ 0 0 103 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.890 121.9 44.6 -47.9 -51.6 4.6 11.5 18.8 39 51 A N T 3 S+ 0 0 154 4,-0.2 2,-0.3 3,-0.1 -1,-0.3 0.027 103.2 85.8 -88.0 31.1 3.8 13.5 21.9 40 52 A E S X S- 0 0 112 -3,-1.8 3,-2.6 -4,-0.0 2,-0.0 -0.819 99.4 -69.2-124.2 160.3 1.9 10.7 23.4 41 53 A K T 3 S+ 0 0 137 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.0 -0.316 124.2 8.0 -55.8 126.8 3.2 7.7 25.5 42 54 A Y T 3> S+ 0 0 36 -4,-0.1 4,-2.2 -7,-0.1 -1,-0.3 0.426 99.9 112.6 77.9 2.5 5.3 5.4 23.3 43 55 A G H <> S+ 0 0 0 -3,-2.6 4,-2.6 -6,-0.2 5,-0.2 0.930 74.3 47.6 -69.7 -47.9 5.0 8.0 20.5 44 56 A P H > S+ 0 0 54 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.900 114.6 49.0 -60.9 -37.3 8.8 8.9 20.4 45 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.919 111.3 48.1 -66.2 -45.9 9.6 5.2 20.4 46 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.904 114.7 46.3 -62.3 -43.0 7.2 4.4 17.6 47 59 A S H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.909 113.3 48.0 -66.1 -44.6 8.5 7.3 15.5 48 60 A A H X S+ 0 0 55 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.838 109.7 55.9 -65.3 -34.0 12.2 6.4 16.2 49 61 A F H X S+ 0 0 53 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.973 113.0 37.4 -61.8 -58.9 11.4 2.7 15.3 50 62 A T H X S+ 0 0 10 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.850 115.1 56.2 -63.3 -37.9 10.0 3.4 11.8 51 63 A K H X S+ 0 0 96 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.964 112.4 40.8 -58.2 -54.0 12.5 6.2 11.2 52 64 A K H X S+ 0 0 153 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.925 116.2 50.6 -60.5 -47.7 15.5 3.8 11.8 53 65 A M H < S+ 0 0 38 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.915 119.7 34.2 -59.1 -46.9 13.9 1.0 10.0 54 66 A V H >< S+ 0 0 4 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.875 114.0 56.1 -80.3 -38.1 13.1 3.0 6.8 55 67 A E H 3< S+ 0 0 96 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.772 113.1 42.9 -65.8 -25.5 16.1 5.3 6.8 56 68 A N T 3< S+ 0 0 128 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.2 0.355 91.4 106.6-100.7 4.3 18.5 2.3 6.8 57 69 A A < - 0 0 18 -3,-1.1 3,-0.1 1,-0.2 -3,-0.0 -0.700 53.2-161.0 -88.2 132.7 16.5 0.3 4.3 58 70 A K S S+ 0 0 203 -2,-0.4 2,-0.5 1,-0.2 -1,-0.2 0.910 83.5 38.8 -75.0 -41.7 18.0 -0.1 0.8 59 71 A K - 0 0 110 -52,-0.1 24,-3.2 -54,-0.0 2,-0.5 -0.940 66.7-171.9-117.6 120.1 14.7 -1.1 -0.7 60 72 A I E -AE 6 82A 11 -54,-0.6 -54,-1.5 -2,-0.5 2,-0.3 -0.922 12.3-173.7-108.5 132.1 11.3 0.4 0.3 61 73 A E E -AE 5 81A 34 20,-2.7 20,-2.9 -2,-0.5 2,-0.4 -0.957 14.7-152.5-128.9 148.3 8.2 -1.3 -1.1 62 74 A V E -AE 4 80A 1 -58,-2.9 -58,-2.5 -2,-0.3 2,-0.5 -0.962 7.2-169.0-119.6 134.3 4.5 -0.4 -1.0 63 75 A E E - E 0 79A 15 16,-2.2 16,-2.5 -2,-0.4 -60,-0.2 -0.945 9.9-154.0-127.7 106.0 1.8 -3.1 -1.2 64 76 A F E - E 0 78A 12 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.476 16.6-132.8 -74.9 151.9 -1.7 -1.9 -1.7 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.221 31.2 -90.4 -93.0-171.3 -4.5 -4.2 -0.5 66 78 A K S S+ 0 0 139 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.535 104.1 61.7 -80.4 -7.3 -7.7 -5.2 -2.3 67 79 A G S S- 0 0 23 1,-0.2 38,-0.2 36,-0.1 2,-0.2 0.126 105.5 -24.1 -97.6-148.7 -9.7 -2.3 -0.9 68 80 A Q - 0 0 83 36,-1.4 -1,-0.2 35,-0.2 -3,-0.2 -0.436 49.3-157.7 -65.6 131.6 -9.6 1.5 -1.2 69 81 A R S S+ 0 0 109 -2,-0.2 8,-3.0 1,-0.1 2,-0.3 0.616 72.9 34.5 -87.9 -16.2 -6.1 2.7 -1.9 70 82 A T B S-F 76 0A 58 6,-0.2 6,-0.2 -42,-0.1 -1,-0.1 -0.995 72.3-138.4-139.1 143.4 -6.4 6.3 -0.6 71 83 A D > - 0 0 19 4,-1.7 3,-1.5 -2,-0.3 -2,-0.0 -0.228 45.3 -82.5 -87.4-172.1 -8.3 7.8 2.3 72 84 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.775 128.1 56.4 -63.9 -25.9 -10.3 11.0 2.3 73 85 A Y T 3 S- 0 0 169 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.467 118.8-108.0 -84.7 -4.3 -7.1 13.1 3.0 74 86 A G < + 0 0 47 -3,-1.5 -47,-0.3 1,-0.3 2,-0.2 0.579 69.1 147.5 88.8 10.5 -5.4 11.7 -0.1 75 87 A R - 0 0 64 -49,-0.1 -4,-1.7 1,-0.1 -1,-0.3 -0.555 52.0-114.7 -80.2 142.2 -3.0 9.5 1.8 76 88 A G E -dF 28 70A 0 -49,-2.7 -47,-3.4 -2,-0.2 2,-0.7 -0.571 24.2-144.8 -75.3 140.1 -1.9 6.2 0.2 77 89 A L E +d 29 0A 9 -8,-3.0 -12,-0.5 -2,-0.2 2,-0.3 -0.908 41.8 127.2-110.9 110.1 -3.0 3.2 2.2 78 90 A A E -dE 30 64A 3 -49,-1.2 -47,-1.9 -2,-0.7 2,-0.5 -0.951 61.9-101.0-156.4 170.0 -0.5 0.4 2.1 79 91 A Y E - E 0 63A 0 -16,-2.5 -16,-2.2 -2,-0.3 2,-0.5 -0.858 44.1-146.1 -92.7 126.7 1.6 -2.2 3.8 80 92 A E E - E 0 62A 6 -2,-0.5 7,-3.4 -18,-0.2 8,-0.6 -0.883 12.0-163.5-104.0 132.8 5.2 -0.9 3.8 81 93 A Y E -GE 86 61A 17 -20,-2.9 -20,-2.7 -2,-0.5 2,-0.6 -0.931 8.5-164.0-117.5 133.6 8.2 -3.1 3.4 82 94 A A E > S-GE 85 60A 3 3,-2.9 3,-1.6 -2,-0.4 -22,-0.2 -0.947 83.3 -26.3-116.7 105.1 11.8 -2.2 4.3 83 95 A D T 3 S- 0 0 72 -24,-3.2 -1,-0.2 -2,-0.6 -23,-0.1 0.916 128.9 -46.4 55.2 46.4 14.2 -4.7 2.7 84 96 A G T 3 S+ 0 0 41 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.293 116.6 112.3 83.8 -10.5 11.5 -7.4 2.7 85 97 A K E < -G 82 0A 144 -3,-1.6 -3,-2.9 4,-0.0 2,-0.4 -0.846 69.7-123.3 -99.6 128.5 10.4 -6.8 6.3 86 98 A M E > -G 81 0A 9 -2,-0.5 4,-2.5 -5,-0.2 -5,-0.3 -0.557 13.1-159.6 -74.5 122.3 6.9 -5.4 6.9 87 99 A V H > S+ 0 0 0 -7,-3.4 4,-2.3 -2,-0.4 5,-0.2 0.895 93.1 56.4 -64.9 -39.8 7.0 -2.1 8.9 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.943 112.9 40.2 -56.7 -50.3 3.4 -2.5 9.8 89 101 A E H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.892 111.1 57.2 -67.2 -42.0 4.1 -6.0 11.3 90 102 A A H X S+ 0 0 23 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.894 107.5 49.1 -57.2 -41.6 7.4 -4.9 12.9 91 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 6,-0.4 0.939 112.7 45.0 -63.6 -51.3 5.6 -2.2 14.9 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 5,-0.2 0.901 110.0 56.0 -61.1 -40.9 2.8 -4.4 16.2 93 105 A R H 3<5S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.829 107.1 50.3 -61.5 -32.1 5.3 -7.1 17.1 94 106 A Q T 3<5S- 0 0 82 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.481 115.8-115.2 -85.4 -2.2 7.2 -4.6 19.2 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.0 -4,-0.3 -3,-0.2 0.816 85.2 119.7 71.5 28.8 4.1 -3.5 21.0 96 108 A L S - 0 0 82 3,-0.4 3,-1.7 1,-0.2 -35,-0.2 -0.930 64.8 -34.6-109.2 114.5 -10.8 0.3 6.4 104 116 A K T 3 S- 0 0 129 -2,-0.6 -36,-1.4 1,-0.3 -1,-0.2 0.852 119.8 -45.0 42.1 59.2 -12.8 -0.4 3.3 105 117 A G T 3 S+ 0 0 29 -38,-0.2 2,-1.7 1,-0.2 -39,-0.3 0.462 95.5 134.4 73.4 2.7 -11.9 -4.0 2.7 106 118 A N < + 0 0 1 -3,-1.7 -3,-0.4 1,-0.2 -1,-0.2 -0.584 29.3 116.9 -85.7 80.8 -8.1 -3.7 3.3 107 119 A N > + 0 0 59 -2,-1.7 3,-1.8 -5,-0.1 4,-0.4 0.267 22.9 115.9-130.6 11.7 -7.8 -6.8 5.6 108 120 A T T 3 S+ 0 0 66 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.878 89.7 34.1 -51.5 -46.7 -5.5 -9.3 3.8 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.139 86.4 110.0 -97.7 21.2 -2.8 -9.1 6.5 110 122 A E H <> S+ 0 0 52 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.914 79.7 45.5 -61.4 -46.1 -5.2 -8.7 9.4 111 123 A Q H > S+ 0 0 153 -4,-0.4 4,-1.8 -3,-0.3 -1,-0.2 0.918 112.1 51.8 -63.8 -43.9 -4.6 -12.2 10.9 112 124 A L H > S+ 0 0 64 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 112.8 45.5 -58.7 -43.1 -0.8 -11.9 10.5 113 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.901 109.4 54.7 -69.2 -40.4 -0.9 -8.5 12.3 114 126 A R H X S+ 0 0 102 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.813 108.6 50.2 -63.1 -29.8 -3.2 -9.9 15.0 115 127 A K H X S+ 0 0 141 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.876 109.3 49.4 -76.0 -37.2 -0.6 -12.7 15.6 116 128 A A H X S+ 0 0 2 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.916 114.1 48.4 -65.8 -38.4 2.2 -10.2 15.8 117 129 A E H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.904 107.2 53.4 -65.8 -48.6 0.1 -8.2 18.3 118 130 A A H X S+ 0 0 46 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.868 109.3 49.2 -56.3 -41.4 -0.9 -11.3 20.4 119 131 A Q H X S+ 0 0 72 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.896 111.2 49.2 -67.3 -39.2 2.8 -12.2 20.9 120 132 A A H <>S+ 0 0 0 -4,-1.6 5,-2.7 2,-0.2 -2,-0.2 0.909 113.2 47.7 -65.4 -40.8 3.6 -8.6 21.9 121 133 A K H ><5S+ 0 0 73 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.919 110.0 51.7 -65.5 -43.0 0.7 -8.6 24.4 122 134 A K H 3<5S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 112.0 47.1 -63.5 -32.7 1.8 -12.0 25.8 123 135 A E T 3<5S- 0 0 81 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.418 110.2-126.7 -88.2 -0.7 5.3 -10.6 26.2 124 136 A K T < 5 - 0 0 101 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.838 42.9-178.5 56.8 39.1 3.9 -7.4 27.9 125 137 A L > < - 0 0 43 -5,-2.7 3,-2.5 3,-0.2 -1,-0.2 -0.538 45.5 -60.6 -77.1 129.3 5.8 -5.2 25.4 126 138 A N G > S+ 0 0 54 -2,-0.3 3,-2.3 1,-0.3 4,-0.2 -0.113 134.4 30.9 41.4-100.6 5.5 -1.5 25.7 127 139 A I G 3 S+ 0 0 33 -32,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.690 125.7 49.0 -59.6 -18.0 1.8 -0.6 25.2 128 140 A W G X S+ 0 0 24 -3,-2.5 3,-1.9 1,-0.2 -1,-0.3 0.389 79.1 103.6-101.2 3.4 0.9 -3.9 26.8 129 141 A S T < S+ 0 0 58 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.589 78.4 53.9 -62.5 -12.6 3.1 -3.5 29.8 130 142 A E T 3 0 0 164 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.224 360.0 360.0-107.8 14.8 0.2 -2.7 32.0 131 143 A D < 0 0 105 -3,-1.9 -3,-0.0 -10,-0.1 0, 0.0 -0.509 360.0 360.0 -75.4 360.0 -1.9 -5.8 31.3