==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-11 3QON . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.ROBINSON,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.9 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 . 30 23.3 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 . 6 4.7 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 2 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 79 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 148.4 2.6 -0.9 -8.5 2 8 A H - 0 0 116 62,-0.3 62,-0.5 63,-0.1 2,-0.2 -0.986 360.0-117.5-139.5 149.2 3.1 -4.3 -7.0 3 9 A K - 0 0 87 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.515 28.0-168.9 -79.4 146.8 4.3 -5.8 -3.7 4 10 A E E -A 62 0A 23 58,-2.1 58,-2.8 -2,-0.2 2,-0.1 -0.950 26.4-101.7-131.4 152.0 7.4 -8.1 -3.7 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.364 44.5 154.8 -74.6 158.1 8.7 -10.3 -1.0 6 12 A A E -A 60 0A 10 54,-1.7 54,-0.7 15,-0.1 2,-0.3 -0.921 29.3-134.7-165.5 164.2 11.6 -9.4 1.3 7 13 A T E -D 20 0B 84 13,-1.3 13,-2.6 -2,-0.3 2,-0.4 -0.961 28.9-103.0-129.4 148.3 12.6 -10.5 4.8 8 14 A L E +D 19 0B 48 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.601 35.4 171.7 -68.4 129.8 13.9 -8.3 7.7 9 15 A I E - 0 0 76 9,-2.8 2,-0.3 -2,-0.4 10,-0.2 0.805 69.8 -20.7 -92.5 -50.9 17.6 -8.5 8.3 10 16 A K E -D 18 0B 144 8,-2.3 8,-3.0 0, 0.0 -1,-0.2 -0.922 56.4-122.0-162.2 131.6 17.8 -5.7 10.8 11 17 A A E +D 17 0B 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.371 31.7 173.0 -64.2 148.9 15.9 -2.7 12.0 12 18 A I - 0 0 88 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.496 51.0 -43.1-122.1 -74.5 18.0 0.4 11.7 13 19 A D S S- 0 0 23 3,-2.2 -1,-0.5 33,-0.1 3,-0.5 -0.749 76.1 -58.7-144.4-161.3 15.9 3.6 12.4 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.866 130.2 16.0 -52.6 -41.6 12.6 5.2 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.9 20,-0.1 2,-0.3 0.320 118.6 61.3-125.3 8.7 12.8 5.3 8.0 16 22 A T E + E 0 29B 13 -3,-0.5 -3,-2.2 13,-0.2 -4,-1.1 -0.985 51.5 162.0-130.6 152.7 15.6 2.9 7.1 17 23 A K E -DE 11 28B 0 11,-1.7 11,-2.8 -2,-0.3 2,-0.6 -0.985 39.2-110.3-160.4 157.5 16.1 -0.8 7.6 18 24 A K E +DE 10 27B 66 -8,-3.0 -9,-2.8 -2,-0.3 -8,-2.3 -0.836 43.3 172.0 -98.4 119.4 18.2 -3.7 6.3 19 25 A L E -DE 8 26B 0 7,-2.8 7,-2.3 -2,-0.6 2,-0.6 -0.903 34.6-125.4-123.5 155.0 16.1 -6.2 4.2 20 26 A M E +DE 7 25B 80 -13,-2.6 -13,-1.3 -2,-0.3 2,-0.4 -0.917 35.2 178.7 -98.8 122.9 17.0 -9.2 2.1 21 27 A Y E > - E 0 24B 21 3,-2.7 3,-2.3 -2,-0.6 -15,-0.1 -0.990 68.2 -7.8-133.8 133.3 15.5 -8.6 -1.4 22 28 A K T 3 S- 0 0 152 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.848 132.1 -58.1 39.9 39.4 15.8 -11.1 -4.3 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.453 116.2 106.8 82.8 1.8 18.3 -12.8 -2.0 24 30 A Q E < S-E 21 0B 127 -3,-2.3 -3,-2.7 -5,-0.0 -1,-0.2 -0.934 70.8-117.8-117.4 137.2 20.7 -9.9 -1.4 25 31 A P E +E 20 0B 79 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.449 45.2 161.6 -63.6 137.0 21.1 -7.7 1.7 26 32 A M E -E 19 0B 40 -7,-2.3 -7,-2.8 -2,-0.1 2,-0.5 -0.983 40.2-117.1-159.6 147.9 20.3 -4.1 1.1 27 33 A T E -E 18 0B 33 -2,-0.3 49,-2.7 47,-0.3 2,-0.4 -0.812 30.4-158.4 -84.1 129.7 19.4 -0.9 3.0 28 34 A F E -Ef 17 76B 0 -11,-2.8 -11,-1.7 -2,-0.5 2,-0.5 -0.911 6.5-160.5-111.7 131.3 16.0 0.5 2.2 29 35 A R E -Ef 16 77B 20 47,-2.7 49,-1.2 -2,-0.4 -13,-0.2 -0.977 30.6-114.1-107.5 128.5 14.9 4.1 2.8 30 36 A E E > - f 0 78B 2 -15,-2.9 3,-0.9 -2,-0.5 49,-0.2 -0.405 31.2-119.7 -64.9 128.8 11.1 4.6 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.1 49,-0.1 1,-0.2 71,-0.1 -0.338 85.7 8.5 -62.8 142.5 9.6 6.7 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.2 74,-0.2 2,-0.3 0.448 108.0 90.6 75.3 10.3 7.8 10.0 0.8 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.921 51.7-158.4-134.1 164.6 8.6 10.3 4.5 34 40 A D E -H 98 0C 54 64,-1.9 64,-1.8 -2,-0.3 3,-0.0 -0.898 9.3-169.4-143.3 116.0 11.2 11.7 6.9 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.641 36.9 -98.9 -92.2 155.2 11.6 10.4 10.5 36 42 A P - 0 0 13 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.425 45.5-101.4 -64.9 152.5 13.8 12.4 13.0 37 43 A E > - 0 0 90 1,-0.1 3,-2.1 -24,-0.1 6,-0.3 -0.368 37.8-102.9 -63.6 156.8 17.3 11.0 13.3 38 50 A F T 3 S+ 0 0 132 1,-0.3 5,-0.2 5,-0.2 7,-0.1 0.888 124.0 52.3 -53.0 -42.3 17.8 8.9 16.5 39 51 A N T 3 S+ 0 0 138 4,-0.2 -1,-0.3 3,-0.1 2,-0.1 0.603 101.4 80.9 -65.4 -15.8 19.7 11.8 18.2 40 52 A E S X S- 0 0 94 -3,-2.1 3,-2.2 1,-0.1 2,-0.1 -0.462 100.3 -72.8 -92.7 166.1 16.7 14.2 17.4 41 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.365 121.0 7.1 -62.6 127.8 13.4 14.7 19.2 42 54 A Y T 3> S+ 0 0 51 -2,-0.1 4,-2.3 -4,-0.1 -1,-0.3 0.462 97.3 115.9 74.8 -0.0 11.1 11.7 18.6 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.6 -6,-0.3 -5,-0.2 0.934 76.2 45.6 -56.9 -52.4 13.9 9.9 16.8 44 56 A P H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.901 113.8 49.3 -64.8 -35.5 14.0 7.2 19.4 45 57 A E H > S+ 0 0 97 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.3 49.8 -66.7 -37.4 10.2 6.8 19.3 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.957 111.8 47.7 -65.8 -46.0 10.3 6.6 15.5 47 59 A S H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.899 113.6 48.9 -60.7 -40.4 13.0 4.0 15.5 48 60 A A H X S+ 0 0 59 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.862 110.4 50.5 -65.4 -42.2 11.0 2.0 18.2 49 61 A F H X S+ 0 0 58 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.959 114.8 41.9 -60.8 -53.9 7.8 2.3 16.2 50 62 A T H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.890 112.9 54.9 -61.0 -40.3 9.3 1.0 12.9 51 63 A K H X S+ 0 0 94 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.924 110.5 44.0 -63.6 -44.0 11.3 -1.7 14.7 52 64 A K H X S+ 0 0 137 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.924 113.0 52.7 -66.9 -43.3 8.3 -3.2 16.4 53 65 A M H X S+ 0 0 27 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.915 116.8 36.5 -62.0 -43.5 6.3 -3.0 13.2 54 66 A V H < S+ 0 0 3 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.898 117.8 50.7 -81.0 -36.8 8.9 -4.9 11.1 55 67 A E H < S+ 0 0 92 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.816 111.4 46.9 -66.8 -35.7 10.0 -7.3 13.8 56 68 A N H < S+ 0 0 111 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.642 90.7 109.6 -82.2 -12.7 6.5 -8.5 14.7 57 69 A A < - 0 0 18 -4,-0.6 3,-0.2 -3,-0.4 -3,-0.0 -0.394 54.7-159.2 -74.1 139.8 5.5 -8.9 11.0 58 70 A K S S+ 0 0 197 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.825 85.9 28.7 -77.8 -29.1 4.9 -12.4 9.7 59 71 A K - 0 0 113 -52,-0.1 24,-3.2 2,-0.0 2,-0.4 -0.990 65.8-166.9-144.1 122.8 5.4 -11.1 6.2 60 72 A I E -AB 6 82A 12 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.3 -0.923 13.5-179.4-108.3 134.9 7.4 -8.1 4.9 61 73 A E E -AB 5 81A 26 20,-2.3 20,-2.8 -2,-0.4 2,-0.4 -0.948 15.4-146.9-130.8 153.4 6.9 -6.8 1.3 62 74 A V E -AB 4 80A 0 -58,-2.8 -58,-2.1 -2,-0.3 2,-0.5 -0.936 6.9-163.0-117.2 145.6 8.5 -4.0 -0.6 63 75 A E E - B 0 79A 9 16,-2.1 16,-2.9 -2,-0.4 -60,-0.2 -0.939 7.2-154.7-132.3 112.2 6.8 -1.9 -3.2 64 76 A F - 0 0 12 -62,-0.5 -62,-0.3 -2,-0.5 14,-0.2 -0.406 13.9-135.8 -76.9 152.9 8.8 0.1 -5.7 65 77 A D - 0 0 5 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.166 36.2 -87.2 -91.0-159.6 7.3 3.2 -7.3 66 78 A K S S+ 0 0 164 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.617 104.7 49.6 -86.3 -16.9 7.5 4.1 -11.0 67 79 A G S S- 0 0 33 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.210 105.5 -7.4-106.4-139.8 10.8 6.0 -10.9 68 80 A Q - 0 0 117 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.286 46.9-164.9 -70.8 140.1 14.2 5.4 -9.4 69 81 A R S S+ 0 0 114 1,-0.1 8,-3.1 -3,-0.1 2,-0.3 0.578 73.2 40.4 -99.3 -17.6 14.6 2.3 -7.3 70 82 A T B S-G 76 0B 75 6,-0.3 6,-0.3 -42,-0.1 -1,-0.1 -0.983 76.3-135.7-127.4 146.2 17.9 3.1 -5.6 71 83 A D > - 0 0 21 4,-3.5 3,-2.6 -2,-0.3 -2,-0.0 -0.341 40.2 -87.3 -91.5-178.3 19.1 6.4 -4.2 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.677 129.5 54.1 -63.1 -17.8 22.6 8.0 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.281 122.0-105.4 -93.9 2.7 23.7 6.1 -1.5 74 86 A G S < S+ 0 0 47 -3,-2.6 2,-0.3 1,-0.3 -47,-0.3 0.564 72.9 145.0 86.1 7.2 22.6 2.7 -2.9 75 87 A R - 0 0 66 -49,-0.1 -4,-3.5 1,-0.1 -1,-0.3 -0.635 53.5-118.3 -82.1 139.0 19.6 2.5 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.7 -47,-2.7 -2,-0.3 2,-0.6 -0.480 22.5-143.0 -68.2 139.7 16.5 0.9 -2.2 77 89 A L E +f 29 0B 19 -8,-3.1 -12,-0.4 -49,-0.2 2,-0.3 -0.949 42.7 132.0-113.2 115.5 13.6 3.3 -2.4 78 90 A A E -f 30 0B 0 -49,-1.2 -47,-2.1 -2,-0.6 2,-0.5 -0.968 60.7-105.5-151.1 162.6 10.3 1.5 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.9 -16,-2.1 -2,-0.3 2,-0.5 -0.866 43.5-144.9 -86.6 132.5 7.0 1.5 0.3 80 92 A I E -B 62 0A 0 -2,-0.5 7,-3.3 -18,-0.2 8,-0.6 -0.874 12.9-163.0-108.6 131.8 7.4 -1.1 3.0 81 93 A Y E -BC 61 86A 16 -20,-2.8 -20,-2.3 -2,-0.5 2,-0.5 -0.945 7.6-163.4-114.4 140.4 4.5 -3.3 4.1 82 94 A A E > S-BC 60 85A 7 3,-2.6 3,-2.1 -2,-0.4 -22,-0.2 -0.982 83.8 -22.5-121.0 109.1 4.2 -5.3 7.3 83 95 A D T 3 S- 0 0 83 -24,-3.2 -1,-0.2 -2,-0.5 -23,-0.1 0.929 130.5 -49.0 52.7 49.3 1.5 -8.0 7.2 84 96 A G T 3 S+ 0 0 49 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.325 116.0 116.1 76.8 -6.9 -0.2 -5.9 4.5 85 97 A K E < -C 82 0A 118 -3,-2.1 -3,-2.6 1,-0.0 2,-0.3 -0.834 68.2-122.5 -99.3 126.7 0.1 -2.6 6.5 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-1.7 -5,-0.2 -5,-0.3 -0.467 14.3-160.4 -71.5 121.8 2.2 0.2 5.0 87 99 A V H > S+ 0 0 0 -7,-3.3 4,-2.5 -2,-0.3 5,-0.2 0.902 91.1 57.6 -67.8 -41.9 5.0 1.3 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.902 110.7 43.2 -52.0 -45.6 5.4 4.7 5.6 89 101 A E H > S+ 0 0 58 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.887 111.7 53.1 -71.7 -36.5 1.7 5.5 6.2 90 102 A A H X S+ 0 0 4 -4,-1.7 4,-1.7 2,-0.2 6,-0.2 0.877 107.6 50.9 -71.8 -41.0 1.7 4.4 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 6,-0.9 0.967 115.3 42.9 -55.3 -54.2 4.7 6.5 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.9 3,-2.3 -5,-0.2 -2,-0.2 0.948 111.5 54.6 -56.6 -45.7 3.0 9.5 9.2 93 105 A R H 3<5S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.814 110.0 48.3 -64.3 -25.9 -0.4 8.6 10.7 94 106 A Q T 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.380 114.3-113.3 -92.7 3.2 1.3 8.5 14.1 95 107 A G T < 5S+ 0 0 0 -3,-2.3 32,-2.2 -4,-0.3 -3,-0.2 0.748 88.8 114.9 70.5 20.5 3.1 11.9 13.9 96 108 A L S - 0 0 151 -2,-1.4 3,-1.8 3,-0.4 -3,-0.0 -0.708 32.3 -95.1 -90.7 150.1 10.0 13.6 -6.1 104 116 A K T 3 S+ 0 0 201 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 -0.108 107.7 15.6 -59.4 141.9 8.2 13.6 -9.5 105 117 A G T 3 S+ 0 0 40 1,-0.1 -1,-0.3 -38,-0.1 -39,-0.2 0.499 118.5 68.5 66.6 -1.0 7.5 10.2 -10.9 106 118 A N S < S+ 0 0 11 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.2 -0.387 74.6 92.2-126.3 57.9 8.1 8.5 -7.6 107 119 A N > + 0 0 57 -5,-0.1 3,-2.0 1,-0.1 4,-0.3 0.085 34.3 133.3-136.6 32.0 5.1 9.8 -5.7 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.884 80.6 39.1 -52.3 -46.1 2.3 7.4 -6.1 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 0.125 82.8 114.3 -96.5 23.8 1.2 7.3 -2.5 110 122 A E H <> S+ 0 0 35 -3,-2.0 4,-2.5 1,-0.2 5,-0.2 0.965 77.9 43.7 -56.9 -54.9 1.6 11.0 -1.9 111 123 A Q H > S+ 0 0 130 -3,-0.3 4,-2.5 -4,-0.3 -1,-0.2 0.886 110.8 55.5 -62.4 -39.7 -2.0 11.9 -1.3 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.910 112.4 43.6 -51.2 -48.3 -2.6 8.9 0.9 113 125 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.867 109.9 54.9 -73.2 -33.5 0.3 10.0 3.2 114 126 A R H X S+ 0 0 94 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 106.1 53.2 -66.9 -37.9 -0.8 13.6 3.2 115 127 A K H X S+ 0 0 147 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.932 109.9 47.4 -58.6 -43.1 -4.2 12.6 4.4 116 128 A A H X S+ 0 0 7 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.887 110.7 52.8 -67.8 -37.2 -2.6 10.6 7.3 117 129 A E H X S+ 0 0 16 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.922 106.1 52.6 -64.1 -43.3 -0.4 13.6 8.1 118 130 A A H X S+ 0 0 31 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.903 111.4 46.9 -58.0 -42.5 -3.4 15.9 8.3 119 131 A Q H X S+ 0 0 76 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.945 112.1 50.0 -70.6 -40.2 -5.1 13.5 10.8 120 132 A A H <>S+ 0 0 0 -4,-2.7 5,-2.2 2,-0.2 -2,-0.2 0.915 112.0 48.9 -52.7 -49.9 -1.9 13.3 12.8 121 133 A K H ><5S+ 0 0 91 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.915 109.9 50.9 -61.4 -45.0 -1.7 17.1 12.8 122 134 A K H 3<5S+ 0 0 148 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.926 111.0 48.5 -57.0 -45.6 -5.4 17.4 13.9 123 135 A E T 3<5S- 0 0 89 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.428 107.9-129.1 -78.6 3.7 -4.7 15.0 16.8 124 136 A K T < 5 - 0 0 139 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.837 43.3-177.2 52.9 38.6 -1.6 17.0 17.7 125 137 A L > < - 0 0 42 -5,-2.2 3,-3.3 3,-0.2 -1,-0.2 -0.548 41.8 -60.1 -79.9 132.2 0.4 13.7 17.7 126 138 A N G > S+ 0 0 49 -2,-0.4 3,-2.4 1,-0.3 -30,-0.2 -0.161 135.5 28.6 48.5-109.0 4.0 13.4 18.7 127 139 A I G 3 S+ 0 0 44 -32,-2.2 -1,-0.3 1,-0.3 -31,-0.1 0.811 126.1 52.2 -48.0 -31.9 5.9 15.7 16.2 128 140 A W G < 0 0 50 -3,-3.3 -1,-0.3 -33,-0.1 -2,-0.2 0.270 360.0 360.0 -92.5 14.9 2.7 17.8 16.0 129 141 A S < 0 0 101 -3,-2.4 -4,-0.1 -34,-0.1 -5,-0.1 -0.362 360.0 360.0 -89.7 360.0 2.2 18.3 19.8