==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-07 2OXP . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR E.B.GARCIA-MORENO,A.G.GITTIS,D.A.KARP . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 71.3 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 . 33 25.6 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 . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 22.5 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 0 2 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 94 0, 0.0 2,-0.3 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 137.1 0.6 36.6 21.5 2 8 A H - 0 0 113 63,-0.3 63,-0.5 64,-0.1 2,-0.3 -0.999 360.0-123.7-141.5 141.1 3.7 37.8 19.7 3 9 A K - 0 0 89 -2,-0.3 61,-0.2 61,-0.2 78,-0.1 -0.594 27.7-165.1 -80.4 138.5 6.2 36.4 17.2 4 10 A E E -A 63 0A 23 59,-2.7 59,-2.7 -2,-0.3 2,-0.1 -0.930 24.5-103.1-124.3 148.5 9.9 36.4 18.2 5 11 A P E +A 62 0A 108 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.376 43.3 166.8 -71.3 149.8 13.0 35.9 16.0 6 12 A A E -A 61 0A 13 55,-1.7 55,-0.7 15,-0.1 2,-0.4 -0.961 28.0-125.7-154.9 162.7 14.9 32.6 16.0 7 13 A T E -B 20 0A 91 13,-2.1 13,-3.0 -2,-0.3 2,-0.3 -0.964 23.7-119.0-121.9 133.7 17.5 30.9 14.0 8 14 A L E +B 19 0A 57 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.521 35.6 167.6 -67.6 127.1 17.3 27.4 12.4 9 15 A I E - 0 0 71 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.769 62.2 -26.0-105.3 -50.4 20.0 25.2 13.8 10 16 A K E -B 18 0A 118 8,-1.7 8,-2.7 0, 0.0 -1,-0.3 -0.960 57.1-111.7-168.2 143.6 19.0 21.7 12.7 11 17 A A E +B 17 0A 45 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.394 28.4 173.6 -73.0 153.1 15.9 19.7 11.7 12 18 A I E - 0 0 75 4,-1.1 2,-0.3 1,-0.5 5,-0.2 0.557 55.2 -55.2-124.9 -59.6 14.8 16.9 14.0 13 19 A D E > S-B 16 0A 32 3,-2.2 3,-1.1 34,-0.1 -1,-0.5 -0.935 71.9 -51.6-167.1-170.0 11.5 15.6 12.6 14 20 A G T 3 S+ 0 0 0 22,-0.3 78,-0.1 -2,-0.3 23,-0.1 0.770 131.5 17.5 -47.6 -40.4 8.0 16.5 11.6 15 21 A D T 3 S+ 0 0 8 20,-0.1 15,-2.9 21,-0.1 2,-0.4 0.162 116.9 69.3-123.5 20.4 7.0 18.3 14.8 16 22 A T E < +BC 13 29A 7 -3,-1.1 -3,-2.2 13,-0.2 -4,-1.1 -1.000 51.6 173.5-141.8 135.0 10.3 19.1 16.4 17 23 A V E -BC 11 28A 1 11,-2.1 11,-2.9 -2,-0.4 2,-0.6 -0.998 30.3-126.5-143.8 143.5 13.1 21.5 15.4 18 24 A K E +BC 10 27A 50 -8,-2.7 -9,-2.4 -2,-0.3 -8,-1.7 -0.824 39.8 174.8 -91.9 122.3 16.3 22.7 17.0 19 25 A L E -BC 8 26A 0 7,-3.1 7,-2.7 -2,-0.6 2,-0.7 -0.913 36.5-125.0-130.5 151.2 16.4 26.5 17.1 20 26 A M E -BC 7 25A 66 -13,-3.0 -13,-2.1 -2,-0.3 2,-0.5 -0.888 36.7-178.8 -93.9 118.5 18.7 29.2 18.5 21 27 A Y E > - C 0 24A 28 3,-2.9 3,-1.6 -2,-0.7 -15,-0.1 -0.980 65.2 -17.3-127.0 118.9 16.4 31.3 20.6 22 28 A K T 3 S- 0 0 157 -2,-0.5 -1,-0.1 -17,-0.4 -16,-0.1 0.912 128.8 -51.6 53.3 46.1 17.7 34.4 22.5 23 29 A G T 3 S+ 0 0 66 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.461 121.3 103.0 74.3 1.9 21.3 33.2 22.0 24 30 A Q E < -C 21 0A 141 -3,-1.6 -3,-2.9 2,-0.0 2,-0.2 -0.963 69.8-128.2-122.7 128.6 20.6 29.7 23.4 25 31 A P E +C 20 0A 84 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.496 40.8 160.7 -72.0 137.3 20.1 26.5 21.4 26 32 A M E -C 19 0A 40 -7,-2.7 -7,-3.1 -2,-0.2 2,-0.3 -0.990 40.7-112.7-159.5 152.0 16.9 24.6 22.2 27 33 A T E -C 18 0A 29 -2,-0.3 50,-2.9 -9,-0.2 2,-0.5 -0.684 29.4-156.4 -85.5 132.9 14.5 22.0 20.9 28 34 A F E -Cd 17 77A 0 -11,-2.9 -11,-2.1 -2,-0.3 2,-0.6 -0.968 4.2-155.9-114.8 129.2 11.0 23.3 20.0 29 35 A R E -Cd 16 78A 20 48,-3.2 50,-1.3 -2,-0.5 -13,-0.2 -0.931 30.3-116.7-100.8 123.1 8.0 21.0 19.9 30 36 A L E > - d 0 79A 1 -15,-2.9 3,-0.9 -2,-0.6 50,-0.2 -0.442 32.0-116.3 -65.1 127.5 5.3 22.4 17.7 31 37 A L T 3 S+ 0 0 10 48,-2.5 50,-0.1 1,-0.2 -1,-0.1 -0.295 84.3 2.4 -64.8 145.8 2.1 23.2 19.6 32 38 A L T 3 S+ 0 0 3 70,-0.6 69,-1.5 75,-0.2 2,-0.3 0.502 105.0 102.3 58.4 12.8 -1.2 21.4 18.8 33 39 A V E < -H 100 0B 1 -3,-0.9 2,-0.4 67,-0.3 67,-0.2 -0.900 47.8-164.8-128.1 155.0 0.1 19.0 16.2 34 40 A D E -H 99 0B 53 65,-1.8 65,-2.1 -2,-0.3 3,-0.1 -0.914 11.1-172.1-138.8 104.5 1.1 15.3 16.1 35 41 A T - 0 0 4 -2,-0.4 63,-0.2 63,-0.2 -20,-0.1 -0.652 40.3 -86.2 -91.9 155.4 3.1 14.1 13.1 36 42 A P - 0 0 15 0, 0.0 -22,-0.3 0, 0.0 2,-0.2 -0.319 49.6-105.2 -62.4 145.0 3.8 10.3 12.6 37 43 A E 0 0 135 1,-0.1 4,-2.5 -24,-0.1 7,-0.2 -0.517 360.0 360.0 -75.4 134.8 6.8 9.0 14.4 38 44 A T 0 0 87 -2,-0.2 -1,-0.1 2,-0.2 6,-0.1 0.831 360.0 360.0 -93.9 360.0 9.9 8.2 12.2 39 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 40 51 A V 0 0 132 0, 0.0 2,-0.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 152.2 8.4 4.1 11.5 41 52 A E > - 0 0 100 -4,-2.5 3,-2.2 1,-0.1 2,-0.1 -0.721 360.0 -79.2-107.1 158.6 4.8 5.2 11.0 42 53 A K T 3 S+ 0 0 186 1,-0.3 -1,-0.1 -2,-0.3 -5,-0.0 -0.364 117.8 6.2 -59.9 124.8 2.9 5.9 7.7 43 54 A Y T 3> S+ 0 0 67 -2,-0.1 4,-2.6 -8,-0.1 -1,-0.3 0.466 92.9 122.8 78.6 5.9 3.8 9.4 6.4 44 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.3 -7,-0.2 -30,-0.3 0.957 76.8 42.2 -60.5 -54.9 6.5 9.8 9.1 45 56 A P H > S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.886 114.1 54.3 -59.3 -39.5 9.4 10.5 6.7 46 57 A E H > S+ 0 0 96 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.925 108.9 46.7 -59.9 -47.4 7.1 12.6 4.6 47 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.899 112.9 50.3 -63.6 -41.1 6.2 14.8 7.6 48 59 A S H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.888 111.1 47.7 -63.6 -43.0 9.8 15.1 8.6 49 60 A A H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.878 110.1 54.3 -65.7 -38.6 10.9 16.1 5.1 50 61 A F H X S+ 0 0 42 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.959 112.7 40.5 -59.5 -54.9 8.1 18.7 4.9 51 62 A T H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.912 114.7 53.0 -62.5 -43.2 9.1 20.5 8.1 52 63 A K H X S+ 0 0 101 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.933 114.3 41.8 -58.2 -48.4 12.8 20.2 7.3 53 64 A K H X S+ 0 0 123 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 113.9 50.5 -67.2 -45.3 12.3 21.8 3.8 54 65 A M H X S+ 0 0 31 -4,-2.8 4,-0.6 -5,-0.2 -2,-0.2 0.924 116.2 43.1 -60.5 -42.7 9.8 24.5 5.0 55 66 A D H >< S+ 0 0 3 -4,-2.7 3,-0.5 -5,-0.2 -2,-0.2 0.907 114.7 47.4 -70.4 -43.8 12.2 25.5 7.8 56 67 A E H 3< S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.807 110.7 51.5 -70.3 -29.5 15.4 25.4 5.8 57 68 A N H 3< S+ 0 0 98 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.628 88.0 110.8 -81.6 -12.3 14.0 27.4 2.8 58 69 A A << - 0 0 19 -4,-0.6 3,-0.2 -3,-0.5 -50,-0.1 -0.382 55.6-159.6 -68.5 137.0 12.8 30.1 5.2 59 70 A K S S+ 0 0 180 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.810 86.7 25.0 -80.5 -34.1 14.4 33.5 5.0 60 71 A K - 0 0 135 -53,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.997 67.9-161.3-138.8 129.8 13.1 34.2 8.5 61 72 A I E -AE 6 83A 13 -55,-0.7 -55,-1.7 -2,-0.4 2,-0.4 -0.933 13.6-173.5-109.6 132.6 12.1 31.8 11.3 62 73 A E E -AE 5 82A 50 20,-2.6 20,-2.8 -2,-0.4 2,-0.4 -0.959 12.8-151.0-128.5 144.3 9.8 33.1 14.2 63 74 A V E -AE 4 81A 0 -59,-2.7 -59,-2.7 -2,-0.4 2,-0.4 -0.917 8.4-168.0-112.0 141.1 8.6 31.4 17.4 64 75 A E E - E 0 80A 13 16,-1.9 16,-2.3 -2,-0.4 -61,-0.2 -0.906 7.6-155.3-133.6 104.4 5.3 32.3 19.0 65 76 A F E - E 0 79A 14 -63,-0.5 -63,-0.3 -2,-0.4 14,-0.2 -0.440 17.0-131.4 -73.2 151.8 4.7 31.1 22.5 66 77 A D - 0 0 5 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.111 33.9 -86.5 -89.0-166.9 1.0 30.6 23.6 67 78 A K S S+ 0 0 167 39,-0.4 40,-0.2 -2,-0.1 3,-0.1 0.609 105.6 49.3 -79.3 -14.2 -0.7 31.9 26.8 68 79 A G S S- 0 0 21 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.124 106.2 -12.6-104.4-144.6 0.3 28.9 28.9 69 80 A Q - 0 0 110 36,-1.0 -1,-0.3 1,-0.1 -3,-0.2 -0.300 49.2-156.6 -60.1 135.1 3.4 26.9 29.8 70 81 A R S S+ 0 0 126 -3,-0.1 8,-2.6 -5,-0.1 2,-0.3 0.544 72.7 38.6 -92.3 -11.1 6.3 27.6 27.5 71 82 A T B S-F 77 0A 73 6,-0.3 6,-0.2 -43,-0.1 2,-0.1 -0.985 72.2-136.2-139.4 147.9 8.2 24.3 27.9 72 83 A D > - 0 0 32 4,-2.1 3,-2.1 -2,-0.3 -2,-0.0 -0.372 43.9 -85.0 -92.5-179.6 7.2 20.7 28.3 73 84 A K T 3 S+ 0 0 186 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.700 127.8 56.9 -59.5 -22.1 8.5 18.1 30.7 74 85 A Y T 3 S- 0 0 168 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.235 120.2-107.4 -92.7 9.0 11.4 17.2 28.3 75 86 A G S < S+ 0 0 51 -3,-2.1 2,-0.3 1,-0.2 -48,-0.2 0.622 72.0 144.3 76.2 13.4 12.6 20.8 28.3 76 87 A R - 0 0 65 -50,-0.1 -4,-2.1 1,-0.1 -1,-0.2 -0.679 54.7-112.6 -88.0 138.9 11.3 21.5 24.8 77 88 A G E -dF 28 71A 0 -50,-2.9 -48,-3.2 -2,-0.3 2,-0.7 -0.463 24.3-142.9 -69.0 137.1 9.9 24.9 23.9 78 89 A L E +d 29 0A 20 -8,-2.6 -12,-0.6 -50,-0.2 2,-0.3 -0.900 45.7 122.3-105.3 108.6 6.2 24.8 23.1 79 90 A A E -dE 30 65A 0 -50,-1.3 -48,-2.5 -2,-0.7 2,-0.5 -0.940 64.2 -98.7-157.2 174.0 5.3 27.2 20.3 80 91 A Y E - E 0 64A 0 -16,-2.3 -16,-1.9 -2,-0.3 2,-0.4 -0.905 42.1-146.7 -99.6 125.0 3.9 28.0 16.9 81 92 A I E - E 0 63A 1 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.858 10.5-161.3-100.3 134.6 6.7 28.1 14.4 82 93 A Y E -GE 87 62A 17 -20,-2.8 -20,-2.6 -2,-0.4 2,-0.6 -0.962 7.8-164.8-118.9 132.2 6.5 30.5 11.5 83 94 A A E > S-GE 86 61A 7 3,-3.0 3,-2.0 -2,-0.4 -22,-0.2 -0.961 83.4 -23.7-115.9 109.7 8.6 30.3 8.3 84 95 A D T 3 S- 0 0 86 -24,-3.0 -1,-0.2 -2,-0.6 -23,-0.1 0.889 130.2 -47.5 54.1 43.6 8.5 33.6 6.3 85 96 A G T 3 S+ 0 0 43 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.272 116.4 115.3 84.3 -9.6 5.2 34.4 8.0 86 97 A K E < -G 83 0A 114 -3,-2.0 -3,-3.0 4,-0.0 2,-0.4 -0.810 67.9-125.3 -98.7 126.1 3.7 30.9 7.4 87 98 A M E > -G 82 0A 6 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.502 12.6-158.4 -70.5 123.3 2.8 28.8 10.4 88 99 A V H > S+ 0 0 0 -7,-3.3 4,-2.3 -2,-0.4 5,-0.2 0.919 92.4 57.1 -66.8 -41.2 4.5 25.4 10.1 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.937 111.2 43.2 -54.2 -48.7 2.1 23.9 12.6 90 101 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 111.6 52.5 -65.7 -43.8 -0.8 24.9 10.3 91 102 A A H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.871 107.2 52.9 -62.3 -37.3 0.8 23.9 7.0 92 103 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 6,-0.5 0.939 113.0 43.1 -63.3 -48.8 1.6 20.4 8.3 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.3 4,-0.2 -2,-0.2 0.880 112.3 53.4 -64.7 -40.4 -2.1 19.8 9.3 94 105 A R H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.826 107.4 52.5 -65.6 -28.8 -3.3 21.4 6.1 95 106 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.463 115.6-116.6 -85.4 -1.6 -1.1 19.0 4.1 96 107 A G T < 5S+ 0 0 0 -3,-1.3 32,-2.2 -4,-0.2 -3,-0.2 0.792 86.7 116.8 70.7 24.9 -2.6 16.0 5.9 97 108 A L S + 0 0 131 -2,-1.4 3,-2.1 3,-0.3 -36,-0.1 -0.795 38.9 2.8-121.5 163.5 -2.3 21.2 27.1 105 116 A K T 3 S- 0 0 111 -2,-0.3 -36,-1.0 1,-0.3 -1,-0.1 0.659 119.4 -59.3 40.5 36.2 -1.5 23.8 29.7 106 117 A G T 3 S+ 0 0 51 -38,-0.2 2,-0.7 1,-0.2 -39,-0.4 0.770 100.3 132.5 71.4 24.6 -3.8 26.5 28.4 107 118 A N < + 0 0 2 -3,-2.1 -3,-0.3 -40,-0.2 -1,-0.2 -0.698 25.3 111.9-107.3 77.9 -2.1 26.6 25.0 108 119 A N > + 0 0 78 -2,-0.7 3,-1.8 -5,-0.1 4,-0.4 0.227 24.4 122.8-136.2 21.2 -5.0 26.5 22.6 109 120 A T T 3 S+ 0 0 60 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.836 86.6 34.3 -52.3 -43.6 -5.1 29.9 20.8 110 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.217 84.4 111.6-100.2 16.5 -4.8 28.5 17.3 111 122 A E H <> S+ 0 0 37 -3,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.924 80.3 45.4 -53.4 -50.5 -6.7 25.3 17.9 112 123 A Q H > S+ 0 0 114 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.2 0.890 110.7 52.9 -62.7 -42.1 -9.7 26.3 15.7 113 124 A L H > S+ 0 0 65 1,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.910 114.0 44.0 -59.9 -41.8 -7.4 27.5 12.9 114 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.846 109.3 56.1 -72.1 -35.0 -5.7 24.1 13.0 115 126 A R H X S+ 0 0 97 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.882 107.1 50.7 -63.6 -37.5 -9.0 22.2 13.3 116 127 A K H X S+ 0 0 145 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.892 109.1 50.2 -67.2 -39.8 -10.2 23.9 10.1 117 128 A A H X S+ 0 0 7 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.903 110.5 50.8 -65.9 -38.9 -7.0 23.0 8.2 118 129 A E H X S+ 0 0 38 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.906 108.0 51.5 -64.2 -43.9 -7.4 19.4 9.4 119 130 A A H X S+ 0 0 57 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.879 111.5 48.1 -60.5 -40.4 -11.1 19.2 8.1 120 131 A Q H X S+ 0 0 71 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 111.8 48.3 -68.2 -43.9 -10.0 20.5 4.7 121 132 A A H <>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.868 113.6 48.4 -63.6 -37.3 -7.1 18.0 4.5 122 133 A K H ><5S+ 0 0 128 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.903 109.4 52.0 -68.2 -41.2 -9.5 15.2 5.5 123 134 A K H 3<5S+ 0 0 164 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.857 112.4 46.2 -61.3 -36.5 -12.1 16.4 2.9 124 135 A E T 3<5S- 0 0 82 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.407 108.7-128.1 -86.8 -0.8 -9.3 16.3 0.3 125 136 A K T < 5 - 0 0 151 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.861 42.7-178.5 54.3 41.3 -8.2 12.9 1.5 126 137 A L > < - 0 0 46 -5,-2.7 3,-2.7 3,-0.2 -1,-0.2 -0.570 45.3 -59.9 -78.8 132.3 -4.7 14.1 1.7 127 138 A N G > S+ 0 0 53 -2,-0.3 3,-2.7 1,-0.3 -30,-0.2 -0.075 135.4 31.0 37.7-102.5 -1.9 11.8 2.8 128 139 A I G 3 S+ 0 0 40 -32,-2.2 -1,-0.3 1,-0.3 -31,-0.1 0.838 127.0 47.3 -48.7 -36.9 -2.8 10.6 6.3 129 140 A W G < 0 0 57 -3,-2.7 -1,-0.3 -33,-0.2 -2,-0.2 0.355 360.0 360.0 -89.2 4.9 -6.5 10.9 5.4 130 141 A S < 0 0 100 -3,-2.7 -4,-0.1 -34,-0.2 -5,-0.1 -0.235 360.0 360.0 -73.9 360.0 -6.1 9.1 2.0