==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-12 4HTH . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.L.WHEELER,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E.,A.C.R . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7454.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 32 24.8 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 . 8 6.2 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 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 7 A L 0 0 78 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 153.3 2.6 -0.8 -8.4 2 8 A H - 0 0 114 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.991 360.0-124.2-138.6 139.5 3.2 -4.3 -7.0 3 9 A K E -A 63 0A 90 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.576 27.3-169.2 -78.5 140.6 4.2 -5.8 -3.7 4 10 A E E -A 62 0A 24 58,-2.2 58,-2.9 -2,-0.3 2,-0.0 -0.962 26.0-100.5-126.3 153.6 7.3 -8.1 -3.7 5 11 A P E +A 61 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.319 43.6 158.5 -75.1 158.0 8.6 -10.4 -1.0 6 12 A A E -AB 60 21A 10 54,-1.5 54,-0.7 15,-0.1 2,-0.4 -0.960 27.5-135.7-162.3 161.9 11.4 -9.5 1.4 7 13 A T E - B 0 20A 84 13,-1.9 13,-2.9 -2,-0.3 2,-0.3 -0.945 28.8-104.7-126.0 146.3 12.5 -10.7 4.8 8 14 A L E + B 0 19A 55 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.514 35.8 169.2 -65.9 131.2 13.7 -8.6 7.7 9 15 A I E - 0 0 74 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.776 69.3 -19.4 -98.8 -50.9 17.4 -8.7 8.4 10 16 A K E - B 0 18A 115 8,-2.0 8,-2.8 0, 0.0 -1,-0.3 -0.985 54.3-123.8-158.4 135.7 17.6 -5.8 10.9 11 17 A A E + B 0 17A 17 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.533 32.3 173.3 -65.3 147.2 15.6 -2.8 12.1 12 18 A I - 0 0 67 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.559 49.3 -44.9-122.1 -67.5 17.8 0.3 11.8 13 19 A D S S- 0 0 53 3,-2.0 -1,-0.5 33,-0.1 3,-0.4 -0.760 74.4 -57.4-152.6-161.4 15.8 3.4 12.6 14 20 A G S S+ 0 0 0 -2,-0.2 77,-0.1 1,-0.2 23,-0.0 0.844 130.2 16.6 -56.5 -39.1 12.5 5.2 12.0 15 21 A D S S+ 0 0 10 1,-0.0 15,-2.9 76,-0.0 2,-0.4 0.302 116.9 66.0-127.2 17.9 12.8 5.4 8.2 16 22 A T E + C 0 29A 11 -3,-0.4 -3,-2.0 13,-0.2 -4,-1.1 -0.990 50.4 171.2-139.1 142.2 15.5 2.8 7.2 17 23 A V E -BC 11 28A 3 11,-2.0 11,-2.9 -2,-0.4 2,-0.6 -0.994 31.5-124.5-147.8 144.8 15.5 -1.0 7.6 18 24 A K E +BC 10 27A 76 -8,-2.8 -9,-2.8 -2,-0.3 -8,-2.0 -0.831 39.2 172.8 -97.0 119.9 17.8 -3.7 6.4 19 25 A L E -BC 8 26A 0 7,-2.8 7,-2.6 -2,-0.6 2,-0.7 -0.903 37.2-122.9-125.5 148.9 15.9 -6.3 4.3 20 26 A M E +BC 7 25A 83 -13,-2.9 -13,-1.9 -2,-0.3 2,-0.4 -0.895 38.6 179.9 -90.3 118.4 16.8 -9.4 2.2 21 27 A Y E > -BC 6 24A 21 3,-2.9 3,-2.1 -2,-0.7 -15,-0.1 -0.987 66.8 -9.6-129.2 128.3 15.4 -8.6 -1.2 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.872 131.2 -57.4 43.7 38.4 15.7 -11.0 -4.1 23 29 A G T 3 S+ 0 0 45 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.512 118.7 105.4 79.0 10.7 18.2 -12.9 -1.9 24 30 A Q E < S-C 21 0A 126 -3,-2.1 -3,-2.9 2,-0.0 2,-0.2 -0.957 73.7-114.7-122.9 139.1 20.5 -9.9 -1.4 25 31 A P E +C 20 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.505 43.2 170.5 -68.0 133.1 20.9 -7.7 1.8 26 32 A M E -C 19 0A 45 -7,-2.6 -7,-2.8 -2,-0.2 2,-0.5 -0.980 35.2-131.4-142.9 141.8 19.8 -4.1 1.2 27 33 A V E -C 18 0A 53 -2,-0.3 49,-2.5 -9,-0.2 2,-0.4 -0.768 30.6-155.7 -84.2 123.8 19.2 -1.0 3.3 28 34 A F E -Cd 17 76A 0 -11,-2.9 -11,-2.0 -2,-0.5 2,-0.5 -0.909 6.8-154.3 -99.9 134.9 15.8 0.4 2.4 29 35 A R E -Cd 16 77A 22 47,-3.9 49,-1.5 -2,-0.4 2,-0.2 -0.920 29.0-115.2-103.6 126.5 14.8 4.1 2.9 30 36 A L E > - d 0 78A 3 -15,-2.9 3,-0.9 -2,-0.5 49,-0.2 -0.446 32.5-119.7 -61.7 128.8 11.1 4.7 3.2 31 37 A L T 3 S+ 0 0 10 47,-2.3 49,-0.1 -2,-0.2 -1,-0.1 -0.383 84.7 10.3 -64.3 146.3 9.7 6.8 0.4 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.4 1,-0.2 2,-0.3 0.529 103.2 102.8 70.7 15.7 8.0 10.1 1.0 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.888 44.7-169.8-129.3 157.9 8.9 10.6 4.7 34 40 A D E -H 98 0B 65 64,-1.6 64,-2.4 -2,-0.3 -3,-0.0 -0.949 15.7-165.8-137.1 138.9 11.4 12.5 6.9 35 41 A I - 0 0 22 -2,-0.3 62,-0.1 62,-0.2 8,-0.1 -0.898 31.3 -92.0-120.5 162.8 11.8 11.7 10.6 36 42 A P - 0 0 19 0, 0.0 -22,-0.2 0, 0.0 10,-0.1 -0.418 55.4 -99.8 -64.5 150.2 13.5 13.6 13.6 37 43 A E > - 0 0 125 1,-0.1 3,-2.8 -23,-0.0 6,-0.4 -0.298 38.4 -96.4 -70.6 164.8 17.1 12.5 14.0 38 50 A F T 3 S+ 0 0 143 1,-0.3 -1,-0.1 5,-0.2 4,-0.1 0.729 127.0 42.5 -62.5 -20.2 18.0 10.0 16.6 39 51 A N T 3 S+ 0 0 146 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.337 100.6 87.8-105.2 8.4 19.0 12.7 19.1 40 52 A E S X S- 0 0 95 -3,-2.8 3,-2.8 1,-0.1 0, 0.0 -0.668 98.1 -73.5-102.2 158.7 16.0 15.0 18.2 41 53 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.249 120.8 9.9 -60.1 135.3 12.6 14.8 19.9 42 54 A Y T 3> S+ 0 0 56 -4,-0.1 4,-2.3 -3,-0.1 -1,-0.3 0.336 94.0 113.7 77.8 -6.4 10.7 11.7 18.7 43 55 A G H <> S+ 0 0 2 -3,-2.8 4,-2.2 -6,-0.4 -29,-0.2 0.970 82.4 42.1 -56.8 -52.0 13.7 10.3 16.9 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.877 112.4 53.6 -63.6 -39.1 13.9 7.3 19.3 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.879 107.9 51.2 -64.9 -37.3 10.1 6.8 19.3 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.943 110.6 49.1 -59.8 -45.2 10.1 6.7 15.4 47 59 A A H X S+ 0 0 15 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.934 113.3 46.6 -61.8 -43.4 12.9 4.0 15.5 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.878 111.6 51.9 -67.0 -37.1 10.9 2.0 18.2 49 61 A F H X S+ 0 0 58 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.958 114.0 40.9 -64.1 -49.5 7.7 2.3 16.2 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.924 113.1 56.2 -69.2 -37.5 9.2 1.0 12.9 51 63 A K H X S+ 0 0 98 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.934 109.8 44.2 -58.9 -48.1 11.2 -1.6 14.8 52 64 A K H X S+ 0 0 139 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.8 52.4 -65.8 -42.0 8.1 -3.1 16.4 53 65 A M H X S+ 0 0 36 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.941 117.4 36.0 -58.0 -49.3 6.1 -3.0 13.2 54 66 A V H < S+ 0 0 4 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.881 117.9 50.8 -78.0 -34.0 8.8 -4.8 11.1 55 67 A E H < S+ 0 0 96 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.793 111.9 46.7 -71.2 -31.1 9.9 -7.2 13.9 56 68 A N H < S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.628 89.7 110.6 -85.8 -14.2 6.3 -8.4 14.7 57 69 A A < - 0 0 18 -4,-0.7 3,-0.2 -3,-0.3 -49,-0.1 -0.392 52.9-161.6 -67.9 132.4 5.4 -8.9 11.0 58 70 A K S S+ 0 0 188 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.824 86.7 27.3 -70.3 -33.4 4.8 -12.4 9.7 59 71 A K - 0 0 115 -52,-0.1 24,-2.9 2,-0.0 2,-0.4 -0.978 66.9-166.7-139.9 118.8 5.3 -11.0 6.2 60 72 A I E -AE 6 82A 10 -54,-0.7 -54,-1.5 -2,-0.4 2,-0.3 -0.891 12.4-170.8-100.6 139.0 7.3 -8.0 4.9 61 73 A E E -AE 5 81A 30 20,-2.2 20,-2.8 -2,-0.4 2,-0.4 -0.950 13.5-146.9-130.4 149.7 6.7 -6.7 1.4 62 74 A V E -AE 4 80A 0 -58,-2.9 -58,-2.2 -2,-0.3 2,-0.5 -0.959 11.0-171.5-112.7 131.1 8.6 -4.1 -0.7 63 75 A E E -AE 3 79A 8 16,-2.3 16,-3.2 -2,-0.4 -60,-0.2 -0.948 9.3-157.3-128.2 110.9 6.7 -1.9 -3.2 64 76 A F - 0 0 13 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.426 14.1-132.3 -80.1 158.4 8.9 0.2 -5.5 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.247 35.0 -87.8 -93.6-164.4 7.3 3.2 -7.1 66 78 A K S S+ 0 0 176 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.576 104.0 49.6 -79.9 -17.3 7.6 4.1 -10.8 67 79 A G S S- 0 0 28 1,-0.3 39,-0.1 36,-0.1 -2,-0.1 0.151 106.3 -7.6-106.0-141.2 10.9 6.1 -10.7 68 80 A Q - 0 0 121 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.233 47.8-165.2 -68.8 143.1 14.3 5.5 -9.2 69 81 A R S S+ 0 0 114 1,-0.2 8,-2.4 -3,-0.1 2,-0.4 0.555 73.0 40.1-103.6 -17.3 14.6 2.4 -7.1 70 82 A T B S-F 76 0A 72 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.983 75.6-136.9-129.9 143.8 17.9 3.2 -5.4 71 83 A D > - 0 0 20 4,-2.9 3,-2.4 -2,-0.4 -2,-0.0 -0.373 40.4 -87.2 -91.0-176.8 19.2 6.5 -4.1 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.585 127.5 55.0 -69.0 -10.0 22.6 8.0 -4.4 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.281 120.9-104.2-103.3 7.7 23.8 6.1 -1.3 74 86 A G S < S+ 0 0 53 -3,-2.4 2,-0.3 1,-0.3 -47,-0.2 0.519 74.6 142.0 82.0 8.8 22.7 2.7 -2.6 75 87 A R - 0 0 69 -49,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.613 54.6-117.4 -85.2 139.9 19.6 2.5 -0.5 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.9 -2,-0.3 2,-0.5 -0.441 22.3-145.2 -66.9 143.2 16.5 1.0 -1.9 77 89 A L E +d 29 0A 20 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.964 42.1 129.2-114.7 115.3 13.6 3.4 -2.1 78 90 A A E -d 30 0A 0 -49,-1.5 -47,-2.3 -2,-0.5 2,-0.5 -0.971 62.3-101.4-154.0 166.4 10.3 1.8 -1.5 79 91 A Y E -E 63 0A 0 -16,-3.2 -16,-2.3 -2,-0.3 2,-0.5 -0.851 44.0-149.4 -90.0 126.3 7.0 1.5 0.3 80 92 A I E -E 62 0A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.904 9.8-161.3-105.7 136.0 7.4 -1.1 3.0 81 93 A Y E -EG 61 86A 17 -20,-2.8 -20,-2.2 -2,-0.5 2,-0.5 -0.908 8.9-165.1-117.5 133.6 4.5 -3.3 4.2 82 94 A A E > S-EG 60 85A 7 3,-2.7 3,-1.9 -2,-0.4 -22,-0.2 -0.972 85.2 -23.2-117.3 107.6 4.2 -5.3 7.4 83 95 A D T 3 S- 0 0 80 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.909 129.4 -50.1 50.8 49.6 1.3 -7.8 7.2 84 96 A G T 3 S+ 0 0 45 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.332 115.3 115.7 76.2 -6.3 -0.3 -5.7 4.5 85 97 A K E < -G 82 0A 145 -3,-1.9 -3,-2.7 4,-0.0 2,-0.4 -0.849 68.9-121.3 -97.4 131.0 -0.0 -2.4 6.5 86 98 A M E > -G 81 0A 8 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.2 -0.545 14.1-158.7 -76.5 120.6 2.2 0.3 5.1 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.6 -2,-0.4 5,-0.3 0.927 92.6 56.0 -60.3 -42.3 5.0 1.4 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.922 112.5 41.2 -59.2 -44.8 5.5 4.7 5.6 89 101 A E H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.911 113.5 52.5 -70.4 -42.7 1.8 5.6 6.2 90 102 A A H X S+ 0 0 24 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.857 107.8 51.5 -64.2 -38.2 1.6 4.3 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.3 2,-0.2 6,-0.5 0.942 113.7 44.5 -63.7 -44.9 4.6 6.3 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.2 -5,-0.3 5,-0.2 0.924 109.8 54.6 -63.8 -44.9 3.1 9.5 9.3 93 105 A R H 3<5S+ 0 0 65 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.7 53.7 -61.7 -28.4 -0.4 8.7 10.8 94 106 A Q T 3<5S- 0 0 71 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.437 114.8-115.9 -84.4 1.1 1.3 8.5 14.3 95 107 A G T < 5S+ 0 0 0 -3,-2.2 32,-2.5 2,-0.2 -3,-0.2 0.801 87.2 115.1 66.5 28.1 2.9 11.9 14.0 96 108 A L S - 0 0 153 -2,-1.1 3,-2.1 3,-0.5 -36,-0.1 -0.835 33.7-124.6-102.7 131.7 10.0 13.7 -6.2 104 116 A K T 3 S+ 0 0 197 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.766 108.5 58.7 -46.0 -26.0 7.7 13.8 -9.2 105 117 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 2,-0.1 -39,-0.2 0.786 115.3 30.1 -68.3 -21.4 9.1 10.4 -10.3 106 118 A N S < S+ 0 0 10 -3,-2.1 -3,-0.5 -40,-0.2 -1,-0.2 -0.696 81.0 107.8-156.7 53.8 8.1 8.5 -7.2 107 119 A N > + 0 0 54 -3,-0.4 3,-1.8 -2,-0.1 4,-0.3 0.051 25.0 131.2-139.7 33.3 5.0 9.9 -5.5 108 120 A T T 3 S+ 0 0 77 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.896 82.9 39.4 -55.4 -44.5 2.2 7.4 -6.1 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.5 2,-0.1 -1,-0.3 0.196 81.9 112.9 -96.1 22.4 1.2 7.4 -2.4 110 122 A E H <> S+ 0 0 33 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.936 78.6 44.7 -59.0 -51.0 1.6 11.1 -1.7 111 123 A Q H > S+ 0 0 129 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.890 110.8 55.0 -68.7 -33.7 -2.0 12.0 -1.2 112 124 A L H > S+ 0 0 74 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 113.3 42.8 -56.6 -50.2 -2.5 8.9 1.0 113 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.884 110.9 54.2 -65.4 -39.6 0.3 10.0 3.3 114 126 A R H X S+ 0 0 88 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.893 106.8 52.7 -62.6 -32.0 -0.8 13.7 3.2 115 127 A K H X S+ 0 0 128 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.949 110.2 47.9 -68.2 -39.6 -4.2 12.6 4.4 116 128 A A H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.884 110.5 51.9 -65.6 -41.9 -2.5 10.7 7.3 117 129 A E H X S+ 0 0 22 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.937 107.0 52.2 -62.9 -43.9 -0.4 13.7 8.2 118 130 A A H X S+ 0 0 52 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 110.5 49.0 -57.1 -41.8 -3.4 15.9 8.3 119 131 A Q H X S+ 0 0 76 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.955 111.8 47.7 -65.6 -48.1 -5.1 13.4 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.8 1,-0.2 4,-0.3 0.870 113.9 48.5 -56.1 -41.5 -1.9 13.3 13.0 121 133 A K H ><5S+ 0 0 92 -4,-2.7 3,-0.7 3,-0.2 -1,-0.2 0.884 109.1 50.9 -71.4 -38.1 -1.7 17.1 13.0 122 134 A K H 3<5S+ 0 0 183 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.878 113.0 48.2 -61.2 -39.1 -5.5 17.5 13.8 123 135 A E T 3<5S- 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.525 108.1-130.5 -77.2 -9.3 -4.9 15.1 16.7 124 136 A K T < 5 - 0 0 143 -3,-0.7 2,-0.4 -4,-0.3 -3,-0.2 0.903 43.2-179.0 60.1 41.3 -1.8 17.0 17.7 125 137 A L > < - 0 0 38 -5,-2.8 3,-2.6 3,-0.1 2,-0.2 -0.629 42.7 -56.0 -84.5 128.7 0.1 13.7 17.8 126 138 A N G > S+ 0 0 42 -2,-0.4 3,-2.1 1,-0.3 -30,-0.2 -0.196 135.0 26.7 56.5-106.5 3.8 13.5 18.8 127 139 A I G 3 S+ 0 0 43 -32,-2.5 -1,-0.3 1,-0.3 -31,-0.1 0.826 127.7 50.4 -61.7 -26.1 5.8 15.8 16.5 128 140 A W G < 0 0 53 -3,-2.6 -1,-0.3 -33,-0.2 -2,-0.2 0.349 360.0 360.0 -88.0 4.0 2.6 17.9 16.1 129 141 A S < 0 0 97 -3,-2.1 -4,-0.1 -34,-0.2 -5,-0.1 -0.368 360.0 360.0 -80.5 360.0 2.0 18.1 19.9