==== 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 10-AUG-04 1U9R . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.P.DENISOV,J.L.SCHLESSMAN,B.E.GARCIA-MORENO,B.HALLE . 129 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7294.0 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 . 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 . 4 3.1 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 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 . 2 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 0 102 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 147.7 61.8 23.4 20.9 2 8 A H - 0 0 127 63,-0.2 63,-0.5 64,-0.1 2,-0.2 -0.981 360.0-123.3-131.1 142.6 63.2 20.2 19.4 3 9 A K - 0 0 91 -2,-0.4 61,-0.2 61,-0.1 78,-0.0 -0.571 23.4-163.3 -83.2 143.0 61.7 17.6 17.0 4 10 A E E -A 63 0A 25 59,-2.5 59,-2.7 -2,-0.2 2,-0.1 -0.937 23.8-106.2-124.8 148.0 61.6 14.0 17.9 5 11 A P E +A 62 0A 109 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.360 40.6 169.1 -73.3 154.2 61.1 11.0 15.7 6 12 A A E -A 61 0A 13 55,-1.7 55,-0.7 15,-0.1 2,-0.4 -0.967 26.7-130.1-156.1 161.7 57.8 9.0 15.7 7 13 A T E -B 20 0A 96 13,-1.7 13,-3.0 -2,-0.3 2,-0.1 -0.980 26.8-116.8-124.3 132.2 56.1 6.3 13.6 8 14 A L E +B 19 0A 47 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.413 34.8 167.9 -66.8 134.3 52.6 6.6 12.4 9 15 A I E - 0 0 71 9,-2.6 2,-0.3 1,-0.2 10,-0.2 0.717 66.8 -18.5-110.8 -48.2 50.2 3.9 13.7 10 16 A K E -B 18 0A 133 8,-1.8 8,-3.1 0, 0.0 2,-0.5 -0.890 51.9-131.3-167.2 131.3 46.8 5.2 12.6 11 17 A A E -B 17 0A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.724 23.5-179.1 -82.7 128.1 45.2 8.5 11.5 12 18 A I - 0 0 84 4,-1.5 2,-0.3 -2,-0.5 5,-0.2 0.842 54.1 -54.9 -96.8 -44.1 42.1 9.1 13.5 13 19 A D S S- 0 0 27 3,-1.8 3,-0.4 35,-0.1 -1,-0.4 -0.950 74.7 -49.9-174.5-168.4 40.8 12.3 12.1 14 20 A G S S+ 0 0 0 22,-0.3 23,-0.1 -2,-0.3 78,-0.1 0.876 130.5 24.9 -49.3 -48.2 41.7 15.9 11.3 15 21 A D S S+ 0 0 6 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.463 116.0 58.2-102.3 -1.9 43.0 16.8 14.7 16 22 A T E + C 0 29A 9 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.5 -0.987 51.0 173.5-135.6 141.7 44.2 13.5 16.3 17 23 A V E -BC 11 28A 0 11,-2.1 11,-3.1 -2,-0.4 2,-0.6 -0.995 27.2-129.0-143.9 145.6 46.6 10.8 15.3 18 24 A K E +BC 10 27A 82 -8,-3.1 -9,-2.6 -2,-0.3 -8,-1.8 -0.855 35.5 175.5 -98.9 125.7 48.0 7.7 16.9 19 25 A L E -BC 8 26A 2 7,-3.0 7,-2.4 -2,-0.6 2,-0.8 -0.899 38.4-120.5-130.0 156.6 51.8 7.4 16.9 20 26 A M E -BC 7 25A 74 -13,-3.0 -13,-1.7 -2,-0.3 2,-0.5 -0.878 41.6-177.9 -93.7 111.8 54.5 5.2 18.3 21 27 A Y E > - C 0 24A 23 3,-3.0 3,-1.8 -2,-0.8 -15,-0.1 -0.972 62.0 -19.5-121.0 122.7 56.5 7.6 20.4 22 28 A K T 3 S- 0 0 163 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.893 131.1 -45.0 49.6 47.4 59.6 6.5 22.3 23 29 A G T 3 S+ 0 0 72 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.311 123.6 84.4 86.1 -9.4 58.7 2.8 22.0 24 30 A Q E < S-C 21 0A 104 -3,-1.8 -3,-3.0 -5,-0.0 -1,-0.1 -0.964 78.8-108.1-132.1 147.4 55.0 3.1 23.0 25 31 A P E +C 20 0A 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.409 44.2 169.9 -68.2 142.8 51.7 3.8 21.2 26 32 A M E -C 19 0A 47 -7,-2.4 -7,-3.0 -2,-0.1 2,-0.4 -0.978 32.4-125.4-157.0 141.7 50.2 7.2 22.1 27 33 A T E -C 18 0A 40 -2,-0.3 50,-2.6 48,-0.2 2,-0.4 -0.757 27.4-160.5 -91.2 131.6 47.4 9.5 20.8 28 34 A F E -Cd 17 77A 0 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.5 -0.899 9.5-152.3-115.0 144.0 48.4 13.0 19.9 29 35 A R E -Cd 16 78A 39 48,-3.6 50,-1.5 -2,-0.4 2,-0.2 -0.970 30.1-116.4-113.5 123.1 46.1 16.1 19.6 30 36 A L E > - d 0 79A 2 -15,-2.7 3,-1.0 -2,-0.5 50,-0.2 -0.416 33.6-118.4 -64.0 124.6 47.4 18.7 17.1 31 37 A L T 3 S+ 0 0 7 48,-2.4 50,-0.1 -2,-0.2 -1,-0.1 -0.283 82.8 2.2 -65.8 146.1 48.2 22.0 18.9 32 38 A L T 3 S+ 0 0 10 70,-0.2 69,-1.6 1,-0.1 2,-0.4 0.564 101.1 111.2 56.7 17.4 46.4 25.2 18.0 33 39 A V E < -H 100 0B 1 -3,-1.0 2,-0.5 67,-0.3 67,-0.2 -0.954 46.4-165.1-126.2 145.3 44.0 23.8 15.4 34 40 A D E -H 99 0B 75 65,-2.3 65,-2.1 -2,-0.4 -3,-0.0 -0.960 18.0-175.4-123.7 106.1 40.3 23.3 15.4 35 41 A T - 0 0 10 -2,-0.5 63,-0.2 63,-0.2 -20,-0.1 -0.767 37.7 -92.9-103.7 151.0 39.2 20.9 12.6 36 42 A P - 0 0 14 0, 0.0 -22,-0.3 0, 0.0 12,-0.1 -0.397 50.1-114.2 -60.6 133.8 35.5 20.1 11.7 37 43 A E 0 0 90 -23,-0.1 4,-2.1 -24,-0.1 7,-0.2 -0.383 360.0 360.0 -71.0 148.8 34.6 16.9 13.6 38 44 A T 0 0 88 2,-0.2 -1,-0.1 6,-0.2 4,-0.1 -0.802 360.0 360.0-101.6 360.0 33.8 13.8 11.6 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 0 135 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 102.8 29.9 14.8 10.6 41 52 A E > - 0 0 107 -4,-2.1 3,-1.8 1,-0.2 2,-0.2 -0.110 360.0 -75.0 -65.6 166.1 30.5 18.6 10.3 42 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.2 2,-0.1 86,-0.0 -0.447 120.2 7.4 -65.5 129.6 31.1 20.4 7.0 43 54 A Y T 3> S+ 0 0 46 -2,-0.2 4,-2.7 -3,-0.1 -1,-0.3 0.466 94.2 121.9 75.1 3.5 34.6 19.8 5.7 44 55 A G H <> S+ 0 0 0 -3,-1.8 4,-2.2 -7,-0.2 -30,-0.3 0.956 77.2 41.4 -61.1 -52.0 35.1 17.2 8.5 45 56 A P H > S+ 0 0 58 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.833 113.3 55.3 -66.3 -29.9 35.9 14.4 6.0 46 57 A E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.945 109.9 45.4 -64.9 -48.7 38.0 16.8 3.9 47 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.906 114.1 49.4 -60.3 -44.8 40.2 17.7 6.9 48 59 A S H X S+ 0 0 22 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.916 112.2 46.3 -62.1 -46.5 40.5 14.0 7.9 49 60 A A H X S+ 0 0 58 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.871 111.4 53.6 -64.9 -37.4 41.5 12.8 4.4 50 61 A F H X S+ 0 0 55 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.972 112.7 41.8 -60.7 -56.0 44.0 15.7 4.2 51 62 A T H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.915 115.2 52.1 -57.5 -46.1 45.7 14.8 7.4 52 63 A K H X S+ 0 0 95 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.924 111.1 45.6 -58.2 -49.2 45.6 11.1 6.6 53 64 A K H X S+ 0 0 146 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.909 113.5 49.8 -63.1 -41.9 47.2 11.4 3.2 54 65 A M H < S+ 0 0 39 -4,-2.3 4,-0.4 -5,-0.2 -1,-0.2 0.889 117.4 40.4 -64.6 -39.9 49.9 13.8 4.5 55 66 A E H >< S+ 0 0 5 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.899 114.5 48.4 -77.5 -44.6 50.8 11.4 7.3 56 67 A E H 3< S+ 0 0 95 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.796 113.5 47.7 -68.0 -29.5 50.6 8.0 5.6 57 68 A N T 3< S+ 0 0 113 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.547 88.8 109.9 -89.2 -9.0 52.7 9.2 2.6 58 69 A A < - 0 0 21 -3,-0.5 3,-0.1 -4,-0.4 -3,-0.0 -0.360 56.9-154.4 -70.9 147.0 55.4 10.7 4.7 59 70 A K S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.831 86.3 26.2 -84.3 -39.1 58.9 9.2 4.9 60 71 A K - 0 0 144 -53,-0.0 24,-3.0 -55,-0.0 2,-0.4 -0.991 65.2-166.2-131.4 134.1 59.5 10.8 8.3 61 72 A I E -AE 6 83A 13 -55,-0.7 -55,-1.7 -2,-0.4 2,-0.4 -0.956 13.0-175.1-116.8 134.6 57.1 11.9 11.0 62 73 A E E -AE 5 82A 53 20,-2.3 20,-3.0 -2,-0.4 2,-0.4 -0.975 13.1-148.9-132.2 148.3 58.3 14.1 13.8 63 74 A V E -AE 4 81A 0 -59,-2.7 -59,-2.5 -2,-0.4 2,-0.4 -0.921 7.9-167.3-116.0 140.5 56.6 15.4 16.9 64 75 A E E - E 0 80A 12 16,-2.3 16,-2.6 -2,-0.4 2,-0.2 -0.948 8.1-154.0-132.4 111.1 57.4 18.7 18.6 65 76 A F E - E 0 79A 23 -63,-0.5 -63,-0.2 -2,-0.4 14,-0.2 -0.509 16.2-134.0 -79.0 152.2 56.1 19.5 22.1 66 77 A D - 0 0 2 12,-0.6 41,-0.1 3,-0.2 -1,-0.1 -0.224 29.9 -94.6 -92.6-168.0 55.7 23.1 23.0 67 78 A K S S+ 0 0 131 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.513 100.3 65.9 -88.6 -6.0 56.8 24.8 26.3 68 79 A G S S- 0 0 18 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.051 106.3 -28.3 -95.3-152.9 53.5 24.4 28.2 69 80 A Q - 0 0 97 36,-1.0 -1,-0.3 35,-0.1 -3,-0.2 -0.381 53.1-151.1 -62.9 136.6 51.6 21.3 29.4 70 81 A R S S+ 0 0 129 -3,-0.1 8,-2.7 1,-0.1 2,-0.3 0.550 71.9 36.7 -89.3 -10.6 52.3 18.2 27.2 71 82 A T B S-F 77 0A 74 6,-0.3 6,-0.2 -43,-0.1 -1,-0.1 -0.999 71.6-133.8-142.8 145.0 49.1 16.3 27.6 72 83 A D > - 0 0 20 4,-2.2 3,-1.9 -2,-0.3 -2,-0.0 -0.222 44.8 -84.3 -86.7-176.6 45.4 17.2 27.9 73 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.721 126.7 57.5 -61.9 -21.1 42.8 15.8 30.3 74 85 A Y T 3 S- 0 0 171 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.274 119.5-104.4 -94.7 11.8 42.2 12.8 28.1 75 86 A G S < S+ 0 0 54 -3,-1.9 2,-0.3 1,-0.3 -48,-0.2 0.525 74.0 140.9 81.2 5.7 45.8 11.6 28.1 76 87 A R - 0 0 65 -50,-0.1 -4,-2.2 -48,-0.1 -1,-0.3 -0.629 54.6-117.5 -84.8 139.6 46.5 12.9 24.5 77 88 A G E -dF 28 71A 0 -50,-2.6 -48,-3.6 -2,-0.3 2,-0.7 -0.511 21.7-139.6 -73.7 141.0 49.9 14.4 23.8 78 89 A L E +d 29 0A 9 -8,-2.7 -12,-0.6 -50,-0.2 2,-0.3 -0.902 45.7 128.6-105.7 111.3 49.8 18.1 22.7 79 90 A A E -dE 30 65A 0 -50,-1.5 -48,-2.4 -2,-0.7 2,-0.5 -0.952 60.8-102.5-155.5 172.2 52.2 18.8 19.9 80 91 A Y E - E 0 64A 0 -16,-2.6 -16,-2.3 -2,-0.3 2,-0.4 -0.858 41.2-148.4 -97.2 133.0 53.0 20.1 16.4 81 92 A I E - E 0 63A 1 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.915 8.7-159.8-110.7 134.7 53.3 17.2 14.0 82 93 A Y E -GE 87 62A 15 -20,-3.0 -20,-2.3 -2,-0.4 2,-0.5 -0.925 7.0-164.5-115.7 136.2 55.7 17.3 11.0 83 94 A A E > S-GE 86 61A 3 3,-3.1 3,-2.5 -2,-0.4 -22,-0.2 -0.978 82.9 -24.8-118.9 113.2 55.5 15.2 7.9 84 95 A D T 3 S- 0 0 52 -24,-3.0 -1,-0.1 -2,-0.5 -23,-0.1 0.893 129.4 -47.9 48.9 46.1 58.8 15.2 5.9 85 96 A G T 3 S+ 0 0 41 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.271 116.6 114.4 83.1 -13.6 59.6 18.6 7.4 86 97 A K E < -G 83 0A 125 -3,-2.5 -3,-3.1 4,-0.0 2,-0.4 -0.826 68.2-126.7 -95.8 125.2 56.2 20.1 6.7 87 98 A M E > -G 82 0A 10 -2,-0.5 4,-2.2 -5,-0.3 -5,-0.3 -0.546 11.9-156.8 -71.9 120.8 54.1 21.0 9.8 88 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.3 -2,-0.4 5,-0.2 0.868 92.0 59.4 -64.4 -38.1 50.7 19.4 9.5 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.936 110.8 42.1 -55.8 -47.4 49.1 21.9 11.9 90 101 A E H > S+ 0 0 67 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.906 110.7 54.7 -67.4 -44.7 50.2 24.7 9.6 91 102 A A H X S+ 0 0 25 -4,-2.2 4,-2.3 1,-0.2 6,-0.2 0.912 106.9 52.2 -56.7 -45.2 49.2 22.9 6.3 92 103 A L H <>S+ 0 0 0 -4,-2.3 5,-3.1 2,-0.2 6,-0.5 0.925 113.4 42.5 -57.6 -49.2 45.6 22.4 7.6 93 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-1.6 4,-0.2 5,-0.3 0.935 114.1 51.0 -64.8 -45.9 45.1 26.0 8.5 94 105 A R H 3<5S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 108.9 51.2 -61.2 -35.3 46.7 27.3 5.3 95 106 A Q T 3<5S- 0 0 90 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.459 118.4-115.0 -80.8 -2.4 44.5 25.0 3.2 96 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-1.8 -4,-0.2 33,-0.2 0.774 83.3 120.5 74.4 26.6 41.5 26.4 5.0 97 108 A L S -I 107 0C 88 3,-0.6 3,-1.5 1,-0.1 -35,-0.1 -0.951 60.3 -32.0-125.4 115.5 46.2 26.2 25.8 105 116 A K T 3 S- 0 0 113 -2,-0.5 -36,-1.0 1,-0.3 -1,-0.1 0.824 121.6 -46.5 50.1 43.1 48.4 26.3 29.0 106 117 A G T 3 S+ 0 0 28 -38,-0.2 2,-1.4 1,-0.2 -39,-0.3 0.544 98.7 134.3 82.9 5.8 51.2 28.3 27.5 107 118 A N B < +I 104 0C 0 -3,-1.5 -3,-0.6 1,-0.2 -1,-0.2 -0.665 27.5 115.1 -90.8 84.7 51.6 26.3 24.3 108 119 A N > + 0 0 56 -2,-1.4 3,-1.9 -5,-0.1 4,-0.4 0.244 19.2 122.1-137.1 15.1 51.8 29.2 21.8 109 120 A T T 3 S+ 0 0 65 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.869 91.2 31.7 -48.8 -42.0 55.3 29.1 20.2 110 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.217 84.8 110.5-103.9 17.4 53.7 28.8 16.7 111 122 A E H <> S+ 0 0 42 -3,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.866 80.8 47.3 -58.6 -39.5 50.5 30.8 17.2 112 123 A Q H > S+ 0 0 114 -4,-0.4 4,-2.3 -3,-0.3 5,-0.2 0.923 109.5 52.9 -69.2 -42.8 51.6 33.7 15.0 113 124 A L H > S+ 0 0 72 1,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.924 114.5 43.1 -56.3 -45.5 52.8 31.5 12.2 114 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.825 109.2 56.7 -71.1 -34.0 49.4 29.8 12.3 115 126 A R H X S+ 0 0 93 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.911 108.9 47.4 -64.3 -41.6 47.4 33.1 12.6 116 127 A K H X S+ 0 0 147 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.894 109.7 51.8 -67.2 -40.1 49.1 34.4 9.4 117 128 A A H X S+ 0 0 8 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.903 111.0 49.9 -63.4 -38.5 48.4 31.1 7.5 118 129 A E H X S+ 0 0 22 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.872 106.2 54.2 -67.3 -38.8 44.7 31.4 8.6 119 130 A A H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.903 110.4 48.1 -62.4 -39.6 44.5 35.1 7.4 120 131 A Q H X S+ 0 0 61 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 109.8 50.5 -67.9 -42.1 45.7 34.0 4.0 121 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 4,-0.3 0.873 111.9 49.5 -63.5 -36.0 43.3 31.1 3.7 122 133 A K H ><5S+ 0 0 96 -4,-2.1 3,-1.2 2,-0.2 -2,-0.2 0.927 109.0 50.8 -68.1 -45.6 40.5 33.5 4.7 123 134 A K H 3<5S+ 0 0 146 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.827 113.4 46.2 -61.4 -31.9 41.6 36.0 2.0 124 135 A E T 3<5S- 0 0 83 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.480 106.6-132.2 -88.9 -3.0 41.6 33.2 -0.5 125 136 A K T < 5 - 0 0 152 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.2 0.901 39.2-179.2 52.1 47.4 38.2 32.0 0.7 126 137 A L > < - 0 0 49 -5,-2.3 3,-2.9 4,-0.1 4,-0.2 -0.628 45.9 -57.1 -84.4 134.5 39.4 28.4 0.9 127 138 A N G > S+ 0 0 46 -2,-0.3 3,-3.5 1,-0.3 -30,-0.1 -0.049 135.8 30.6 38.3-106.8 37.1 25.7 2.0 128 139 A I G 3 S+ 0 0 46 -32,-1.8 -1,-0.3 1,-0.3 -31,-0.1 0.811 123.0 53.1 -47.8 -33.2 35.8 26.6 5.4 129 140 A W G < 0 0 59 -3,-2.9 -1,-0.3 -33,-0.2 -2,-0.2 0.281 360.0 360.0 -88.1 12.8 36.1 30.2 4.5 130 141 A S < 0 0 109 -3,-3.5 -4,-0.1 -4,-0.2 -5,-0.1 -0.108 360.0 360.0 -67.7 360.0 34.0 29.6 1.3