==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-11 3S9W . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.M.DOCTROW,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 24.0 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 . 2 1.6 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 1 1 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 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 73 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 158.5 2.5 -1.2 -8.2 2 8 A H - 0 0 117 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.983 360.0-119.9-140.9 147.5 3.0 -4.6 -6.7 3 9 A K E -A 63 0A 84 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.621 27.9-170.2 -82.5 135.8 4.2 -6.1 -3.5 4 10 A E E -A 62 0A 27 58,-2.6 58,-3.0 -2,-0.3 2,-0.0 -0.940 25.9-100.4-123.1 151.2 7.3 -8.4 -3.4 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.278 44.1 154.9 -64.5 154.3 8.7 -10.6 -0.7 6 12 A A E -A 60 0A 13 54,-1.5 54,-0.7 15,-0.1 2,-0.3 -0.941 29.1-134.3-163.9 163.2 11.6 -9.7 1.6 7 13 A T E -D 20 0B 82 13,-1.5 13,-3.0 -2,-0.3 2,-0.3 -0.948 29.3-104.2-122.5 147.3 12.8 -10.7 5.1 8 14 A L E +D 19 0B 52 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.534 35.4 170.1 -63.3 132.0 14.0 -8.5 7.9 9 15 A I E - 0 0 73 9,-2.7 2,-0.3 -2,-0.3 10,-0.2 0.739 68.6 -26.6 -98.0 -54.1 17.7 -8.5 8.5 10 16 A K E -D 18 0B 134 8,-1.9 8,-2.9 44,-0.0 -1,-0.2 -0.949 53.6-116.9-163.3 143.8 17.8 -5.7 10.9 11 17 A A E +D 17 0B 20 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.473 31.3 174.0 -69.1 144.5 16.0 -2.5 12.0 12 18 A I - 0 0 87 4,-1.3 2,-0.2 1,-0.5 5,-0.2 0.683 50.6 -43.3-117.9 -71.2 18.1 0.6 11.6 13 19 A D S S- 0 0 21 3,-1.8 -1,-0.5 33,-0.1 3,-0.4 -0.696 76.1 -59.6-144.7-157.2 16.2 3.8 12.3 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.847 131.1 17.3 -61.6 -40.3 12.8 5.5 11.8 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.269 116.3 69.0-124.3 16.5 12.9 5.5 8.0 16 22 A T E + E 0 29B 13 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.3 -0.994 50.7 170.2-132.2 148.6 15.7 2.9 7.1 17 23 A V E -DE 11 28B 2 11,-2.0 11,-3.1 -2,-0.3 2,-0.6 -0.999 31.7-124.4-154.2 146.0 15.8 -0.9 7.5 18 24 A K E +DE 10 27B 67 -8,-2.9 -9,-2.7 -2,-0.3 -8,-1.9 -0.824 39.8 169.8 -95.5 119.8 18.0 -3.7 6.4 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.5 -2,-0.6 2,-0.6 -0.932 38.2-121.5-127.7 152.9 16.1 -6.4 4.4 20 26 A M E -DE 7 25B 81 -13,-3.0 -13,-1.5 -2,-0.3 2,-0.4 -0.860 36.9-179.1 -88.5 122.8 17.0 -9.4 2.3 21 27 A Y E > - E 0 24B 23 3,-2.8 3,-1.9 -2,-0.6 -15,-0.1 -0.982 68.2 -11.9-133.7 125.6 15.5 -8.8 -1.1 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.858 131.5 -55.7 44.3 39.0 15.8 -11.4 -4.0 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.1 0.496 117.6 104.4 84.5 0.9 18.3 -13.1 -1.7 24 30 A Q E < S-E 21 0B 124 -3,-1.9 -3,-2.8 -5,-0.0 2,-0.2 -0.931 73.2-113.8-117.3 142.4 20.7 -10.1 -1.2 25 31 A P E +E 20 0B 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.512 44.6 168.0 -70.4 132.0 21.1 -7.8 1.9 26 32 A M E -E 19 0B 43 -7,-2.5 -7,-2.8 -2,-0.2 2,-0.5 -0.993 35.9-127.8-143.7 144.4 20.0 -4.2 1.1 27 33 A T E -E 18 0B 33 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.837 29.9-153.7 -85.1 131.8 19.3 -1.1 3.1 28 34 A F E -Ef 17 76B 1 -11,-3.1 -11,-2.0 -2,-0.5 2,-0.5 -0.879 7.7-156.0-106.6 132.5 15.9 0.3 2.3 29 35 A R E -Ef 16 77B 21 47,-3.7 49,-1.4 -2,-0.4 -13,-0.2 -0.958 28.7-118.7-105.6 126.7 15.0 4.0 2.6 30 36 A L E > - f 0 78B 4 -15,-2.4 3,-0.8 -2,-0.5 49,-0.2 -0.449 32.2-119.3 -67.3 127.5 11.2 4.5 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.0 49,-0.1 1,-0.2 71,-0.1 -0.428 84.1 8.0 -66.5 149.2 9.7 6.6 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.6 68,-1.5 1,-0.1 2,-0.3 0.439 108.5 91.0 70.6 10.0 8.0 9.9 0.7 33 39 A V E < -H 99 0C 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.889 50.6-162.0-130.6 165.4 8.8 10.2 4.4 34 40 A D E -H 98 0C 53 64,-1.6 64,-2.1 -2,-0.3 3,-0.1 -0.904 9.4-168.4-147.5 112.6 11.4 11.7 6.7 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.692 37.5 -94.7 -86.4 155.6 11.8 10.6 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.327 48.1-102.2 -60.1 150.8 14.0 12.6 12.8 37 43 A E > - 0 0 88 1,-0.1 3,-2.4 -24,-0.1 6,-0.2 -0.380 38.1-100.7 -68.1 161.0 17.5 11.2 13.1 38 50 A F T 3 S+ 0 0 133 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.839 123.8 53.2 -54.4 -36.6 18.1 9.1 16.3 39 51 A N T 3 S+ 0 0 141 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.512 100.4 78.7 -79.0 -6.0 19.9 12.0 17.9 40 52 A E S X S- 0 0 98 -3,-2.4 3,-2.2 1,-0.1 2,-0.1 -0.482 99.3 -70.9 -99.4 169.6 16.9 14.5 17.3 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.398 123.0 8.9 -64.3 138.2 13.6 14.9 19.1 42 54 A Y T 3> S+ 0 0 42 -2,-0.1 4,-2.6 -4,-0.1 -1,-0.3 0.433 97.7 115.5 61.0 4.2 11.3 12.0 18.3 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 -6,-0.2 -5,-0.2 0.948 76.8 43.8 -60.8 -56.1 14.2 10.2 16.7 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.849 114.6 50.3 -55.4 -40.8 14.3 7.4 19.3 45 57 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.912 110.2 50.1 -68.8 -41.8 10.4 7.1 19.2 46 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.933 111.7 47.9 -58.2 -48.0 10.5 6.9 15.4 47 59 A S H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.915 112.3 49.2 -57.5 -46.3 13.2 4.1 15.4 48 60 A A H X S+ 0 0 57 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.889 109.9 51.7 -60.1 -42.5 11.3 2.1 18.1 49 61 A F H X S+ 0 0 56 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.926 113.5 41.8 -62.7 -52.2 8.1 2.3 16.1 50 62 A T H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.900 114.8 53.9 -58.3 -42.7 9.6 1.1 12.8 51 63 A K H X S+ 0 0 100 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.916 110.6 44.7 -58.2 -48.5 11.6 -1.6 14.8 52 64 A K H X S+ 0 0 139 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.898 113.4 52.0 -65.8 -38.2 8.5 -2.9 16.5 53 65 A M H X S+ 0 0 28 -4,-2.0 4,-0.7 -5,-0.2 -2,-0.2 0.947 117.3 35.4 -67.6 -45.0 6.5 -2.9 13.3 54 66 A V H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.810 117.1 51.9 -80.0 -33.2 9.1 -4.8 11.2 55 67 A E H < S+ 0 0 95 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.785 111.4 47.2 -71.5 -33.0 10.3 -7.2 14.0 56 68 A N H < S+ 0 0 103 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.645 90.8 108.4 -80.7 -17.1 6.7 -8.3 14.9 57 69 A A < - 0 0 19 -4,-0.7 3,-0.2 -5,-0.2 -49,-0.1 -0.359 52.3-163.1 -69.7 136.4 5.7 -8.9 11.3 58 70 A K S S+ 0 0 193 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.778 86.4 30.5 -79.8 -31.1 5.3 -12.4 10.0 59 71 A K - 0 0 122 -52,-0.0 24,-3.1 2,-0.0 25,-0.4 -0.972 67.2-168.5-137.7 118.6 5.5 -11.1 6.4 60 72 A I E -AB 6 82A 10 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.876 12.3-172.4-100.6 135.2 7.5 -8.1 5.1 61 73 A E E -AB 5 81A 25 20,-1.9 20,-2.7 -2,-0.4 2,-0.4 -0.968 12.8-149.0-128.2 152.1 6.9 -6.9 1.6 62 74 A V E -AB 4 80A 0 -58,-3.0 -58,-2.6 -2,-0.3 2,-0.5 -0.934 9.5-168.6-117.1 136.4 8.6 -4.3 -0.5 63 75 A E E -AB 3 79A 10 16,-2.5 16,-3.0 -2,-0.4 2,-0.2 -0.948 8.0-154.3-131.0 116.9 6.8 -2.2 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.466 13.4-134.3 -85.4 154.4 8.8 -0.1 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.207 37.7 -86.8 -93.1-165.4 7.2 2.9 -7.2 66 78 A K S S+ 0 0 163 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.563 104.7 50.3 -81.2 -11.9 7.4 3.7 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.139 104.6 -8.8-114.0-145.1 10.8 5.5 -10.8 68 80 A Q - 0 0 125 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.3 -0.317 46.7-165.4 -66.0 138.5 14.2 5.0 -9.5 69 81 A R S S+ 0 0 115 1,-0.1 8,-2.6 -3,-0.1 2,-0.3 0.503 73.2 43.0-101.1 -11.9 14.5 2.0 -7.2 70 82 A T B S-G 76 0B 77 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.988 74.9-139.5-131.4 144.1 17.9 2.9 -5.7 71 83 A D > - 0 0 21 4,-2.8 3,-2.2 -2,-0.3 -2,-0.1 -0.305 42.3 -85.9 -91.0-177.3 19.1 6.3 -4.4 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.636 128.9 55.9 -65.8 -15.0 22.6 7.8 -4.8 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.335 120.3-107.1 -95.2 3.3 23.8 5.9 -1.7 74 86 A G S < S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.591 72.6 146.2 82.1 6.3 22.7 2.5 -3.1 75 87 A R - 0 0 69 -49,-0.1 -4,-2.8 -47,-0.1 -1,-0.3 -0.649 54.0-116.3 -74.3 139.4 19.7 2.4 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-3.7 -2,-0.3 2,-0.6 -0.461 23.7-144.3 -66.9 140.8 16.6 0.7 -2.1 77 89 A L E +f 29 0B 20 -8,-2.6 -12,-0.5 -49,-0.2 2,-0.3 -0.942 43.0 127.9-112.4 113.1 13.7 3.1 -2.4 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.0 -2,-0.6 2,-0.5 -0.963 61.7-104.1-150.4 167.5 10.4 1.4 -1.6 79 91 A Y E -B 63 0A 3 -16,-3.0 -16,-2.5 -2,-0.3 2,-0.4 -0.849 42.9-150.2 -90.5 132.9 7.1 1.4 0.3 80 92 A I E -B 62 0A 0 -2,-0.5 7,-2.6 -18,-0.2 8,-0.6 -0.907 9.8-162.3-111.1 140.1 7.5 -1.3 3.0 81 93 A Y E -BC 61 86A 23 -20,-2.7 -20,-1.9 -2,-0.4 2,-0.5 -0.916 7.7-159.7-122.7 139.4 4.6 -3.3 4.4 82 94 A A E > S-BC 60 85A 7 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.971 85.3 -19.3-121.6 113.5 4.4 -5.3 7.6 83 95 A D T 3 S- 0 0 88 -24,-3.1 -1,-0.2 -2,-0.5 -23,-0.1 0.922 131.1 -50.7 52.5 47.8 1.7 -8.0 7.6 84 96 A G T 3 S+ 0 0 48 -25,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.356 115.1 119.1 75.8 -6.8 0.0 -6.0 4.8 85 97 A K E < -C 82 0A 123 -3,-1.8 -3,-3.0 1,-0.0 2,-0.5 -0.811 68.1-117.0 -95.5 129.4 0.2 -2.6 6.7 86 98 A G E > -C 81 0A 13 -2,-0.4 4,-2.2 -5,-0.2 -5,-0.2 -0.504 18.9-166.3 -66.0 119.2 2.2 0.3 5.3 87 99 A V H > S+ 0 0 1 -7,-2.6 4,-2.5 -2,-0.5 5,-0.2 0.913 89.7 55.2 -65.1 -45.9 5.1 1.3 7.5 88 100 A N H > S+ 0 0 3 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.926 113.1 40.7 -52.8 -50.3 5.5 4.6 5.6 89 101 A E H > S+ 0 0 68 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.879 112.0 56.2 -70.5 -40.5 1.8 5.6 6.2 90 102 A A H X S+ 0 0 6 -4,-2.2 4,-1.6 1,-0.2 6,-0.2 0.911 106.9 49.5 -60.2 -45.7 1.8 4.3 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 6,-0.8 0.928 114.5 44.4 -58.9 -45.9 4.8 6.5 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.0 -5,-0.2 -2,-0.2 0.948 110.4 55.9 -65.5 -40.0 3.1 9.6 9.2 93 105 A R H 3<5S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.7 47.5 -62.1 -31.4 -0.2 8.7 10.8 94 106 A Q T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.345 114.9-112.7 -94.1 5.2 1.4 8.7 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.4 2,-0.2 -3,-0.2 0.754 87.9 115.5 71.1 25.3 3.3 12.1 13.8 96 108 A L S - 0 0 153 -2,-1.1 3,-2.1 3,-0.4 -3,-0.0 -0.780 34.1 -97.9-100.0 141.7 10.1 13.4 -6.4 104 116 A K T 3 S+ 0 0 198 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.146 108.9 19.9 -50.9 136.7 8.2 13.3 -9.7 105 117 A G T 3 S+ 0 0 33 -38,-0.1 -39,-0.3 1,-0.1 -1,-0.3 0.331 116.3 67.2 79.6 -12.9 7.6 9.7 -10.9 106 118 A N S < S+ 0 0 10 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.426 75.5 92.7-121.8 58.5 8.1 8.1 -7.4 107 119 A N > + 0 0 53 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.069 33.4 130.4-139.4 26.7 5.1 9.6 -5.8 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.888 82.8 38.5 -49.6 -43.9 2.3 7.0 -6.2 109 121 A H T 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.207 83.0 112.9 -98.4 17.8 1.2 7.1 -2.5 110 122 A E H <> S+ 0 0 37 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.944 78.2 44.0 -53.5 -55.1 1.7 10.8 -2.0 111 123 A Q H > S+ 0 0 128 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.899 111.3 54.2 -64.0 -38.7 -1.9 11.8 -1.5 112 124 A L H > S+ 0 0 83 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 112.6 44.9 -56.1 -45.6 -2.6 8.8 0.8 113 125 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.876 109.7 53.8 -71.1 -36.6 0.3 9.9 3.1 114 126 A R H X S+ 0 0 94 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.896 106.4 53.0 -64.1 -34.6 -0.7 13.6 3.0 115 127 A K H X S+ 0 0 147 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.935 110.1 48.9 -65.4 -41.3 -4.2 12.6 4.3 116 128 A A H X S+ 0 0 6 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.885 109.3 51.7 -61.2 -43.4 -2.5 10.7 7.1 117 129 A E H X S+ 0 0 23 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.907 105.5 55.9 -63.0 -41.7 -0.3 13.6 8.0 118 130 A A H X S+ 0 0 35 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.902 108.4 47.4 -55.7 -42.4 -3.3 15.9 8.1 119 131 A Q H X S+ 0 0 64 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.921 112.1 49.3 -68.2 -43.2 -5.0 13.6 10.7 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 1,-0.2 4,-0.3 0.855 111.8 48.9 -62.7 -37.7 -1.8 13.4 12.8 121 133 A K H ><5S+ 0 0 95 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.920 110.1 51.5 -67.7 -41.8 -1.4 17.2 12.7 122 134 A K H 3<5S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.887 111.8 47.1 -56.1 -47.3 -5.1 17.6 13.7 123 135 A E T 3<5S- 0 0 87 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.448 108.9-129.2 -74.7 -6.2 -4.5 15.2 16.6 124 136 A K T < 5 - 0 0 145 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.868 42.6-177.4 64.6 36.0 -1.4 17.2 17.5 125 137 A L > < - 0 0 42 -5,-2.4 3,-2.5 3,-0.1 2,-0.3 -0.580 42.6 -58.4 -83.1 129.2 0.6 13.9 17.6 126 138 A N G > S+ 0 0 50 -2,-0.4 3,-2.0 1,-0.3 -30,-0.2 -0.194 134.8 27.9 53.0-104.6 4.2 13.7 18.5 127 139 A I G 3 S+ 0 0 40 -32,-2.4 -1,-0.3 -2,-0.3 -31,-0.1 0.854 124.9 52.1 -55.7 -36.0 6.1 15.9 16.0 128 140 A W G < 0 0 58 -3,-2.5 -1,-0.3 -33,-0.1 -2,-0.2 0.259 360.0 360.0 -85.8 12.9 2.9 18.1 15.6 129 141 A S < 0 0 100 -3,-2.0 -4,-0.1 -4,-0.2 -5,-0.1 -0.400 360.0 360.0 -89.9 360.0 2.6 18.6 19.4