==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-APR-13 4KD3 . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7247.0 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 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 77 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 155.7 2.4 -0.4 -8.4 2 8 A H - 0 0 117 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.998 360.0-118.4-137.2 145.3 3.0 -4.0 -7.1 3 9 A K - 0 0 84 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.585 27.8-166.2 -81.7 141.2 4.2 -5.6 -4.0 4 10 A E E -A 62 0A 20 58,-2.8 58,-2.6 -2,-0.3 2,-0.1 -0.916 26.3 -99.0-122.9 153.1 7.3 -7.7 -4.1 5 11 A P E +A 61 0A 103 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.382 43.0 163.2 -70.4 150.5 8.7 -10.1 -1.5 6 12 A A E -AB 60 21A 8 54,-1.4 54,-0.7 15,-0.1 2,-0.5 -0.966 27.2-137.4-155.0 153.1 11.5 -9.3 0.8 7 13 A T E - B 0 20A 98 13,-1.7 13,-3.5 -2,-0.3 52,-0.1 -0.977 28.3-112.3-114.9 133.5 12.7 -10.8 4.1 8 14 A L E + B 0 19A 46 -2,-0.5 11,-0.3 11,-0.2 3,-0.1 -0.291 36.8 167.9 -63.4 133.3 13.6 -8.7 7.0 9 15 A I E S- 0 0 74 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.731 70.0 -20.0-104.3 -51.2 17.4 -8.8 7.9 10 16 A K E - B 0 18A 119 8,-1.9 8,-3.8 44,-0.0 2,-0.4 -0.930 52.7-128.9-158.0 139.2 17.5 -5.8 10.4 11 17 A A E - B 0 17A 12 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.721 29.1-178.2 -83.0 132.8 15.4 -2.8 11.3 12 18 A I - 0 0 87 4,-1.9 2,-0.2 -2,-0.4 5,-0.2 0.890 51.2 -35.8-104.1 -61.6 17.8 0.1 11.3 13 19 A D S S- 0 0 19 3,-1.7 3,-0.5 33,-0.1 -1,-0.4 -0.701 81.8 -59.2-145.4-156.4 15.9 3.2 12.3 14 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 1,-0.2 77,-0.1 0.842 132.5 18.4 -60.0 -35.0 12.5 4.9 11.9 15 21 A D S S+ 0 0 3 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.267 114.0 68.7-129.1 15.7 12.7 5.0 8.1 16 22 A T E + C 0 29A 11 -3,-0.5 -4,-1.9 13,-0.2 -3,-1.7 -0.996 48.4 172.6-137.2 136.6 15.4 2.5 7.0 17 23 A V E -BC 11 28A 13 11,-2.0 11,-3.7 -2,-0.4 2,-0.5 -0.991 27.3-132.2-135.8 147.8 15.3 -1.3 7.2 18 24 A K E +BC 10 27A 83 -8,-3.8 -9,-2.7 -2,-0.3 -8,-1.9 -0.902 38.5 164.8 -97.8 130.9 17.8 -3.9 5.8 19 25 A A E -BC 8 26A 2 7,-2.8 7,-2.1 -2,-0.5 2,-0.6 -0.994 42.0-108.3-145.8 148.5 16.0 -6.7 3.9 20 26 A M E -BC 7 25A 68 -13,-3.5 -13,-1.7 -2,-0.3 2,-0.5 -0.701 39.5-178.1 -76.0 119.8 16.7 -9.5 1.5 21 27 A Y E > -BC 6 24A 23 3,-3.2 3,-2.1 -2,-0.6 -15,-0.1 -0.974 68.9 -14.0-127.2 130.2 15.3 -8.6 -1.9 22 28 A K T 3 S- 0 0 154 -17,-0.5 -1,-0.2 -2,-0.5 -16,-0.1 0.871 131.5 -55.0 45.2 37.6 15.5 -10.9 -4.8 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.574 119.9 97.6 75.5 12.0 18.1 -12.8 -2.7 24 30 A Q E < S-C 21 0A 131 -3,-2.1 -3,-3.2 -5,-0.1 2,-0.2 -0.994 79.0-108.6-127.4 145.5 20.5 -9.9 -2.0 25 31 A P E +C 20 0A 70 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.479 42.5 175.9 -68.1 137.6 20.7 -7.7 1.1 26 32 A M E -C 19 0A 35 -7,-2.1 -7,-2.8 -2,-0.2 2,-0.6 -0.972 29.3-133.7-138.5 139.4 19.4 -4.1 0.4 27 33 A T E -C 18 0A 46 47,-0.3 49,-2.9 -2,-0.3 2,-0.5 -0.919 28.6-153.5 -93.0 125.5 19.0 -1.2 2.8 28 34 A F E -Cd 17 76A 4 -11,-3.7 -11,-2.0 -2,-0.6 2,-0.5 -0.883 9.1-157.8-101.9 134.1 15.6 0.3 2.0 29 35 A R E -Cd 16 77A 18 47,-3.4 49,-1.5 -2,-0.5 -13,-0.2 -0.969 31.1-114.7-106.3 127.5 14.7 3.9 2.8 30 36 A L E > - d 0 78A 3 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.416 31.9-119.2 -69.1 126.8 11.0 4.5 3.1 31 37 A L T 3 S+ 0 0 9 47,-2.4 49,-0.1 1,-0.2 -1,-0.1 -0.316 84.6 7.5 -59.9 144.4 9.5 6.7 0.3 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 74,-0.1 2,-0.3 0.499 108.3 89.7 70.9 7.5 7.8 10.0 1.1 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.887 51.6-159.0-129.4 167.8 8.6 10.2 4.8 34 40 A D E -H 98 0B 54 64,-1.8 64,-2.2 -2,-0.3 3,-0.1 -0.902 9.1-168.7-146.9 113.9 11.2 11.4 7.3 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.615 39.0 -94.7 -87.0 157.5 11.5 10.1 10.8 36 42 A P - 0 0 17 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.409 47.5 -97.6 -64.0 151.2 13.7 11.9 13.3 37 43 A E > - 0 0 92 1,-0.1 3,-2.5 -24,-0.1 6,-0.3 -0.302 38.9-105.9 -63.9 152.1 17.3 10.7 13.5 38 50 A F T 3 S+ 0 0 130 1,-0.3 -1,-0.1 5,-0.2 5,-0.1 0.801 122.0 57.4 -55.6 -23.5 17.8 8.3 16.4 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.456 99.5 75.9 -85.3 -2.4 19.7 11.1 18.3 40 52 A E S X S- 0 0 92 -3,-2.5 3,-2.0 1,-0.1 2,-0.1 -0.567 99.7 -71.3-109.3 167.6 16.7 13.6 18.0 41 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.424 122.3 11.2 -64.0 134.2 13.3 13.8 19.8 42 54 A Y T 3> S+ 0 0 39 -2,-0.1 4,-2.8 -4,-0.1 -1,-0.3 0.302 98.1 113.4 74.8 -2.9 11.0 11.0 18.8 43 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.8 -6,-0.3 -5,-0.2 0.948 77.7 42.5 -57.7 -54.1 13.9 9.2 17.1 44 56 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.884 115.4 51.7 -63.7 -32.9 14.1 6.3 19.4 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.898 110.6 47.2 -69.1 -43.1 10.3 6.1 19.3 46 58 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.946 112.7 50.7 -64.2 -43.5 10.2 6.1 15.5 47 59 A S H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.939 112.0 46.1 -57.8 -47.4 13.0 3.4 15.5 48 60 A A H X S+ 0 0 59 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.865 110.7 53.2 -64.6 -35.9 11.1 1.2 17.9 49 61 A F H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.951 113.3 41.7 -66.3 -47.9 7.8 1.6 16.0 50 62 A T H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.918 114.5 52.7 -69.8 -35.5 9.3 0.5 12.7 51 63 A K H X S+ 0 0 87 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.940 112.7 44.2 -63.9 -46.4 11.3 -2.3 14.4 52 64 A K H X S+ 0 0 143 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 115.3 48.3 -63.8 -44.6 8.2 -3.7 16.1 53 65 A M H X S+ 0 0 34 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.904 117.6 39.5 -62.9 -45.1 6.1 -3.5 13.0 54 66 A A H < S+ 0 0 6 -4,-2.5 3,-0.5 -5,-0.2 -1,-0.2 0.881 118.2 46.6 -74.2 -40.0 8.6 -5.1 10.7 55 67 A E H < S+ 0 0 87 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.824 111.4 51.3 -78.0 -34.5 9.8 -7.8 13.2 56 68 A N H < S+ 0 0 115 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.631 88.6 103.5 -74.9 -11.2 6.3 -8.9 14.2 57 69 A A < - 0 0 18 -4,-0.6 3,-0.1 -3,-0.5 -3,-0.0 -0.485 66.5-143.8 -76.6 143.1 5.0 -9.3 10.6 58 70 A K S S+ 0 0 199 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.850 90.6 12.4 -68.6 -39.8 4.6 -12.7 9.2 59 71 A K - 0 0 112 -52,-0.1 24,-3.1 2,-0.0 2,-0.3 -0.999 64.2-155.0-138.4 148.7 5.7 -11.2 5.9 60 72 A I E -AE 6 82A 19 -54,-0.7 -54,-1.4 -2,-0.3 2,-0.3 -0.854 16.2-174.2-105.6 147.3 7.3 -8.0 4.7 61 73 A E E -AE 5 81A 33 20,-2.0 20,-2.9 -2,-0.3 2,-0.4 -0.963 11.1-148.5-138.5 153.2 6.8 -6.7 1.1 62 74 A V E -AE 4 80A 3 -58,-2.6 -58,-2.8 -2,-0.3 2,-0.4 -0.960 6.0-164.2-123.6 148.1 8.3 -3.8 -0.8 63 75 A E E - E 0 79A 10 16,-2.1 16,-3.1 -2,-0.4 -60,-0.2 -0.975 8.9-151.3-138.0 113.2 6.7 -1.8 -3.5 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.439 15.7-130.4 -81.7 158.3 8.8 0.5 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.186 34.1 -89.1 -93.0-165.2 7.2 3.6 -7.3 66 78 A K S S+ 0 0 164 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.611 105.3 39.3 -82.5 -17.1 7.3 4.6 -11.0 67 79 A G S S+ 0 0 34 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.196 107.2 8.9-108.3-132.4 10.6 6.6 -10.8 68 80 A Q - 0 0 117 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.196 47.8-173.2 -59.7 125.8 13.9 6.3 -9.0 69 81 A R S S+ 0 0 112 1,-0.2 8,-2.6 -3,-0.1 2,-0.4 0.604 72.7 35.0 -92.7 -20.9 14.4 2.8 -7.3 70 82 A T B S-F 76 0A 74 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.990 75.6-137.2-132.0 145.9 17.7 3.7 -5.6 71 83 A D > - 0 0 22 4,-2.3 3,-2.1 -2,-0.4 -2,-0.0 -0.334 42.1 -87.0 -89.4 178.7 18.9 6.9 -4.1 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.643 126.9 56.3 -62.4 -17.6 22.4 8.4 -4.4 73 85 A Y T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.261 120.6-104.0 -92.0 3.5 23.6 6.3 -1.4 74 86 A G S < S+ 0 0 52 -3,-2.1 -47,-0.3 1,-0.3 2,-0.3 0.564 74.6 143.0 84.7 3.0 22.6 2.9 -2.9 75 87 A R - 0 0 68 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.599 54.7-116.4 -78.3 137.8 19.4 2.6 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.9 -47,-3.4 -2,-0.3 2,-0.6 -0.543 22.5-142.0 -67.8 140.9 16.3 1.1 -2.2 77 89 A L E +d 29 0A 21 -8,-2.6 -12,-0.5 -49,-0.2 2,-0.3 -0.936 44.4 132.1-108.1 109.7 13.4 3.6 -2.3 78 90 A A E -d 30 0A 1 -49,-1.5 -47,-2.4 -2,-0.6 2,-0.5 -0.976 60.3-108.8-148.7 166.4 10.1 1.8 -1.5 79 91 A Y E -E 63 0A 0 -16,-3.1 -16,-2.1 -2,-0.3 2,-0.4 -0.877 40.6-150.7 -93.7 132.3 6.9 1.5 0.3 80 92 A A E -E 62 0A 8 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.900 8.0-160.7-109.0 141.8 7.2 -1.3 2.8 81 93 A Y E -EG 61 86A 15 -20,-2.9 -20,-2.0 -2,-0.4 2,-0.6 -0.937 8.4-159.4-123.9 133.3 4.2 -3.4 4.0 82 94 A A E > S-EG 60 85A 9 3,-2.6 3,-1.7 -2,-0.4 -22,-0.2 -0.971 86.9 -23.8-110.4 107.7 4.0 -5.5 7.1 83 95 A D T 3 S- 0 0 73 -24,-3.1 -1,-0.2 -2,-0.6 -23,-0.1 0.907 130.2 -46.9 44.7 52.0 1.3 -8.1 6.6 84 96 A G T 3 S+ 0 0 44 -25,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.175 116.8 113.8 87.4 -16.6 -0.5 -5.9 4.0 85 97 A K E < -G 82 0A 134 -3,-1.7 -3,-2.6 1,-0.0 2,-0.3 -0.798 69.6-122.6 -90.7 122.9 -0.2 -2.7 6.2 86 98 A M E > -G 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.356 14.1-160.3 -70.1 126.2 2.0 0.1 4.9 87 99 A V H > S+ 0 0 6 -7,-3.0 4,-2.4 -2,-0.3 5,-0.2 0.894 91.6 57.8 -68.8 -38.4 4.8 1.1 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.946 111.1 43.1 -58.7 -48.6 5.3 4.5 5.7 89 101 A E H > S+ 0 0 65 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.940 111.8 53.7 -60.7 -50.1 1.6 5.4 6.3 90 102 A A H X S+ 0 0 22 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.872 107.2 51.0 -57.0 -43.7 1.6 4.0 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.8 0.945 113.7 43.8 -55.8 -49.6 4.5 6.1 10.9 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.3 4,-0.2 -2,-0.2 0.943 110.7 55.8 -62.0 -46.7 2.9 9.3 9.5 93 105 A R H 3<5S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.5 47.8 -56.4 -33.5 -0.5 8.4 11.1 94 106 A Q T 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.299 115.2-113.9 -90.5 6.4 1.2 8.1 14.5 95 107 A G T < 5S+ 0 0 0 -3,-2.3 32,-2.6 2,-0.2 -3,-0.2 0.794 87.0 117.3 63.8 31.7 3.1 11.4 14.3 96 108 A L S - 0 0 156 -2,-1.0 3,-2.0 3,-0.4 -3,-0.0 -0.885 32.5-109.1-100.3 128.4 9.6 14.2 -5.7 104 116 A K T 3 S+ 0 0 202 -2,-0.5 -1,-0.0 1,-0.2 0, 0.0 -0.265 108.1 31.0 -43.9 132.6 7.5 14.4 -8.8 105 117 A G T 3 S+ 0 0 40 -38,-0.1 -1,-0.2 -3,-0.0 -38,-0.2 0.259 118.4 56.6 100.0 -12.0 7.6 11.0 -10.5 106 118 A N S < S+ 0 0 12 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.287 79.5 92.6-143.9 47.8 8.0 9.0 -7.3 107 119 A N > + 0 0 53 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.008 31.7 137.0-141.6 30.8 4.9 10.2 -5.3 108 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.857 81.6 38.8 -46.0 -49.8 2.2 7.7 -6.0 109 121 A H T 3> S+ 0 0 38 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.129 81.1 114.3 -96.3 24.7 1.0 7.5 -2.3 110 122 A E H <> S+ 0 0 49 -3,-2.0 4,-2.8 2,-0.2 5,-0.2 0.937 76.8 46.5 -58.9 -49.6 1.5 11.2 -1.5 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.4 -4,-0.3 5,-0.2 0.942 109.7 54.1 -67.5 -39.4 -2.2 11.9 -0.9 112 124 A L H > S+ 0 0 69 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 113.4 43.5 -51.8 -46.7 -2.7 8.8 1.3 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.912 110.4 53.3 -72.9 -38.3 0.2 9.9 3.5 114 126 A R H X S+ 0 0 96 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.913 107.5 53.4 -61.3 -33.6 -0.8 13.6 3.6 115 127 A K H X S+ 0 0 136 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.945 110.2 48.4 -64.8 -43.2 -4.3 12.5 4.8 116 128 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.3 0.880 109.4 51.1 -60.9 -43.3 -2.6 10.5 7.5 117 129 A E H X S+ 0 0 20 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.925 106.2 54.8 -66.0 -40.1 -0.4 13.5 8.5 118 130 A A H X S+ 0 0 48 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.938 109.7 48.3 -56.2 -43.1 -3.4 15.8 8.8 119 131 A Q H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 111.4 48.6 -68.1 -39.7 -5.0 13.3 11.2 120 132 A A H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 -1,-0.2 0.855 111.8 49.7 -61.2 -41.8 -1.9 12.9 13.3 121 133 A K H ><5S+ 0 0 89 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.914 109.0 53.0 -65.2 -42.4 -1.6 16.7 13.5 122 134 A K H 3<5S+ 0 0 139 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.938 111.7 44.6 -54.1 -51.3 -5.3 17.0 14.6 123 135 A E T 3<5S- 0 0 88 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.425 109.1-129.6 -77.0 0.9 -4.7 14.5 17.4 124 136 A K T < 5 - 0 0 134 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.874 42.5-178.4 53.1 45.0 -1.5 16.3 18.3 125 137 A L > < - 0 0 40 -5,-2.6 3,-3.2 3,-0.1 -1,-0.2 -0.598 42.5 -55.3 -85.1 139.4 0.5 13.1 18.3 126 138 A N G > S+ 0 0 51 1,-0.3 3,-2.5 -2,-0.3 -30,-0.2 -0.113 136.3 27.9 41.3-105.2 4.2 12.8 19.1 127 139 A I G 3 S+ 0 0 42 -32,-2.6 -1,-0.3 1,-0.3 -31,-0.1 0.785 126.6 51.1 -53.1 -29.8 6.0 15.1 16.7 128 140 A W G < 0 0 50 -3,-3.2 -1,-0.3 -33,-0.1 -2,-0.2 0.319 360.0 360.0 -93.7 8.4 2.8 17.3 16.6 129 141 A S < 0 0 99 -3,-2.5 -4,-0.1 -4,-0.2 -5,-0.1 0.128 360.0 360.0 -97.0 360.0 2.5 17.5 20.5