==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-MAY-08 3D4W . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR M.J.HARMS,J.L.SCHLESSMAN,E.B.GARCIA-MORENO . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 23.5 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 1.5 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 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 6 A K 0 0 220 0, 0.0 2,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -2.5 20.6 10.5 -6.5 2 7 A L - 0 0 44 62,-0.1 2,-0.3 107,-0.0 64,-0.1 -0.483 360.0-167.5 -84.9 151.3 18.2 7.9 -4.9 3 8 A H - 0 0 104 62,-0.4 62,-0.4 -2,-0.2 2,-0.4 -0.991 20.5-121.8-139.5 147.1 14.9 6.8 -6.3 4 9 A K - 0 0 93 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.715 27.9-166.3 -89.2 134.7 11.9 4.8 -5.1 5 10 A E E -A 63 0A 13 58,-2.9 58,-2.7 -2,-0.4 2,-0.0 -0.899 25.6-102.5-118.0 148.7 11.0 1.6 -6.9 6 11 A P E +A 62 0A 107 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.343 44.1 165.5 -69.4 149.9 7.7 -0.4 -6.7 7 12 A A E -A 61 0A 14 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.955 25.7-134.9-156.2 164.2 7.7 -3.7 -4.6 8 13 A T E -B 21 0A 93 13,-2.0 13,-3.1 -2,-0.3 2,-0.2 -0.992 25.3-112.7-133.3 132.4 5.0 -6.0 -3.3 9 14 A L E +B 20 0A 48 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.415 34.5 167.1 -66.3 128.7 4.8 -7.6 0.2 10 15 A I E S- 0 0 84 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.766 71.1 -22.0 -95.2 -58.4 5.3 -11.4 0.4 11 16 A K E -B 19 0A 142 8,-1.6 8,-2.9 0, 0.0 2,-0.5 -0.987 52.0-128.3-153.4 136.0 5.8 -11.7 4.2 12 17 A A E -B 18 0A 11 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.804 31.1-178.5 -79.8 126.3 6.9 -9.5 7.1 13 18 A I - 0 0 82 4,-1.6 2,-0.2 -2,-0.5 5,-0.2 0.917 51.2 -38.4 -96.0 -58.1 9.7 -11.6 8.8 14 19 A D S S- 0 0 58 3,-1.8 3,-0.5 33,-0.1 -1,-0.3 -0.788 81.4 -56.9-147.8-164.2 10.8 -9.6 11.8 15 20 A G S S+ 0 0 0 29,-0.3 77,-0.1 -2,-0.2 82,-0.0 0.821 131.8 16.5 -50.6 -41.2 11.6 -6.0 12.9 16 21 A D S S+ 0 0 12 1,-0.1 15,-2.7 14,-0.0 2,-0.4 0.315 113.3 72.2-127.1 18.2 14.1 -5.3 10.2 17 22 A T E + C 0 30A 8 -3,-0.5 -3,-1.8 13,-0.2 -4,-1.6 -0.995 48.4 172.8-132.6 137.3 13.6 -7.9 7.5 18 23 A V E -BC 12 29A 2 11,-1.8 11,-3.0 -2,-0.4 2,-0.6 -0.993 27.9-132.2-140.4 140.1 10.7 -8.3 4.9 19 24 A K E +BC 11 28A 58 -8,-2.9 -9,-2.9 -2,-0.3 -8,-1.6 -0.875 36.9 174.8 -93.7 125.9 10.3 -10.6 2.0 20 25 A L E -BC 9 27A 0 7,-2.9 7,-2.9 -2,-0.6 2,-0.6 -0.917 38.8-120.0-128.6 152.2 9.2 -8.6 -1.1 21 26 A M E -BC 8 26A 74 -13,-3.1 -13,-2.0 -2,-0.3 2,-0.4 -0.847 39.3-177.8 -80.3 124.2 8.5 -9.2 -4.8 22 27 A Y E > - C 0 25A 26 3,-2.7 3,-1.8 -2,-0.6 -15,-0.1 -0.975 66.0 -21.9-131.8 117.1 10.9 -6.8 -6.5 23 28 A K T 3 S- 0 0 156 -17,-0.4 -1,-0.1 -2,-0.4 -16,-0.1 0.864 130.2 -47.4 49.8 43.2 11.0 -6.6 -10.4 24 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 0, 0.0 -17,-0.0 0.315 121.2 96.1 89.3 -9.3 9.3 -10.0 -10.6 25 30 A Q E < S-C 22 0A 140 -3,-1.8 -3,-2.7 2,-0.0 2,-0.3 -0.937 71.9-121.9-120.6 138.0 11.6 -11.9 -8.2 26 31 A P E +C 21 0A 61 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.565 40.8 164.9 -73.4 132.9 11.2 -12.7 -4.5 27 32 A M E -C 20 0A 45 -7,-2.9 -7,-2.9 -2,-0.3 2,-0.4 -0.998 36.8-120.8-148.0 150.6 13.9 -11.3 -2.2 28 33 A T E -C 19 0A 36 -2,-0.3 49,-2.6 -9,-0.2 2,-0.4 -0.761 28.3-156.5 -87.4 133.1 14.6 -10.7 1.4 29 34 A F E -Cd 18 77A 0 -11,-3.0 -11,-1.8 -2,-0.4 2,-0.5 -0.942 6.0-156.0-112.3 133.5 15.3 -7.1 2.3 30 35 A R E -Cd 17 78A 44 47,-3.4 49,-1.5 -2,-0.4 2,-0.3 -0.933 31.2-114.3-103.3 129.1 17.3 -6.0 5.4 31 36 A L E > - d 0 79A 2 -15,-2.7 3,-0.8 -2,-0.5 49,-0.2 -0.482 34.2-116.6 -66.4 127.8 16.5 -2.4 6.4 32 37 A L T 3 S+ 0 0 6 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.302 83.6 3.4 -62.5 142.5 19.4 -0.0 6.0 33 38 A L T 3 S+ 0 0 10 69,-0.2 68,-2.1 1,-0.1 2,-0.4 0.531 99.3 108.7 66.0 14.4 21.1 1.7 9.0 34 39 A V E < +H 100 0B 2 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.972 33.7 143.0-121.3 137.6 19.0 0.1 11.8 35 40 A D E -H 99 0B 42 64,-2.4 64,-2.8 -2,-0.4 -3,-0.0 -0.924 41.6 -93.7-153.8-170.6 20.0 -2.4 14.4 36 41 A T - 0 0 45 -2,-0.3 5,-0.1 62,-0.2 62,-0.1 -0.843 38.7-104.2-116.0 141.0 19.6 -3.5 18.0 37 42 A P > - 0 0 25 0, 0.0 3,-1.8 0, 0.0 2,-0.2 -0.377 43.4-106.6 -60.7 136.7 21.8 -2.7 21.1 38 43 A E T 3 S+ 0 0 152 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.492 106.7 10.9 -60.1 129.0 24.0 -5.6 22.1 39 50 A F T 3 S+ 0 0 179 -2,-0.2 -1,-0.3 1,-0.1 3,-0.0 0.534 113.8 80.6 69.8 8.8 22.5 -7.0 25.3 40 51 A N < + 0 0 36 -3,-1.8 -2,-0.1 2,-0.1 -1,-0.1 -0.381 51.7 143.9-123.4 51.5 19.3 -5.0 24.9 41 52 A E > + 0 0 137 -5,-0.1 3,-0.6 2,-0.1 -3,-0.1 0.264 37.4 107.5 -77.1 14.8 17.9 -7.5 22.4 42 53 A K T 3 + 0 0 121 1,-0.2 -2,-0.1 2,-0.1 86,-0.1 -0.219 49.9 62.7 -79.8-174.2 14.5 -7.0 23.8 43 54 A Y T 3> S+ 0 0 28 -7,-0.1 4,-3.4 84,-0.0 5,-0.3 0.387 71.0 124.6 68.5 2.0 11.8 -5.1 21.9 44 55 A G H <> S+ 0 0 22 -3,-0.6 4,-2.6 1,-0.2 -29,-0.3 0.938 75.3 37.9 -49.3 -62.8 12.3 -8.0 19.3 45 56 A P H > S+ 0 0 100 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.874 117.3 51.8 -56.1 -42.1 8.6 -8.9 19.3 46 57 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.918 111.6 47.0 -63.4 -45.0 7.5 -5.3 19.6 47 58 A A H X S+ 0 0 0 -4,-3.4 4,-2.2 2,-0.2 5,-0.3 0.901 112.1 50.7 -64.4 -40.7 9.7 -4.4 16.6 48 59 A S H X S+ 0 0 38 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.953 112.4 45.3 -59.8 -50.9 8.4 -7.3 14.6 49 60 A A H X S+ 0 0 58 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.867 112.4 53.2 -59.7 -37.7 4.7 -6.4 15.3 50 61 A F H X S+ 0 0 57 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.955 114.2 39.6 -63.7 -54.4 5.5 -2.7 14.4 51 62 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.919 115.1 54.5 -58.8 -46.0 7.1 -3.5 11.0 52 63 A K H X S+ 0 0 96 -4,-2.8 4,-2.6 -5,-0.3 5,-0.3 0.949 110.9 44.7 -56.2 -51.9 4.4 -6.2 10.4 53 64 A K H X S+ 0 0 151 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.914 113.4 51.6 -54.1 -48.3 1.6 -3.7 10.9 54 65 A M H < S+ 0 0 37 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.937 117.5 35.1 -62.8 -48.1 3.2 -1.0 8.9 55 66 A V H >< S+ 0 0 3 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.868 115.9 53.2 -77.0 -35.4 3.9 -3.2 5.8 56 67 A E H 3< S+ 0 0 96 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.867 112.3 45.0 -71.3 -32.7 0.8 -5.3 5.9 57 68 A N T 3< S+ 0 0 124 -4,-1.9 2,-0.3 -5,-0.3 -1,-0.2 0.519 90.2 109.4 -87.8 -2.8 -1.5 -2.3 6.0 58 69 A A < - 0 0 20 -3,-0.7 3,-0.1 -4,-0.4 -3,-0.0 -0.525 54.1-158.3 -78.3 135.7 0.3 -0.3 3.3 59 70 A K S S+ 0 0 200 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.937 86.2 31.6 -66.2 -45.8 -1.4 0.3 -0.1 60 71 A K - 0 0 100 -52,-0.1 24,-2.8 -54,-0.0 2,-0.4 -0.939 65.5-167.5-121.8 131.0 2.0 0.9 -1.6 61 72 A I E -AE 7 83A 12 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.4 -0.970 12.5-171.6-113.2 133.5 5.4 -0.5 -0.8 62 73 A E E -AE 6 82A 26 20,-2.2 20,-2.4 -2,-0.4 2,-0.4 -0.966 13.7-148.8-126.2 144.5 8.6 1.1 -2.2 63 74 A V E -AE 5 81A 0 -58,-2.7 -58,-2.9 -2,-0.4 2,-0.5 -0.910 11.2-171.7-104.9 135.2 12.2 0.0 -2.2 64 75 A E E - E 0 80A 15 16,-2.1 16,-2.6 -2,-0.4 -60,-0.2 -0.909 8.8-156.7-130.8 104.0 14.9 2.7 -2.2 65 76 A F E - E 0 79A 13 -2,-0.5 -62,-0.4 -62,-0.4 14,-0.2 -0.473 14.5-134.3 -69.7 148.7 18.5 1.5 -2.7 66 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.2 -1,-0.1 -0.231 31.0 -94.1 -90.8-172.1 21.3 3.7 -1.4 67 78 A K S S+ 0 0 101 39,-0.3 40,-0.1 -2,-0.1 3,-0.1 0.465 101.3 63.8 -87.4 -5.3 24.5 4.6 -3.4 68 79 A G S S- 0 0 23 1,-0.3 38,-0.2 36,-0.1 37,-0.1 0.053 105.7 -24.1 -99.4-149.6 26.6 1.8 -1.8 69 80 A Q - 0 0 92 36,-1.7 -1,-0.3 35,-0.2 -3,-0.2 -0.396 51.1-154.5 -66.0 133.6 26.5 -2.0 -1.9 70 81 A R S S+ 0 0 114 -2,-0.1 8,-2.4 -3,-0.1 2,-0.3 0.527 73.1 39.8 -89.1 -8.5 22.9 -3.3 -2.6 71 82 A T B S-F 77 0A 68 6,-0.3 6,-0.2 -42,-0.1 2,-0.1 -0.988 73.9-133.4-138.3 149.4 23.2 -6.7 -0.9 72 83 A D > - 0 0 18 4,-2.3 3,-2.1 -2,-0.3 -2,-0.0 -0.377 41.1 -90.4 -92.3-179.4 24.8 -7.9 2.3 73 84 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.701 127.4 58.9 -63.7 -19.2 27.0 -11.0 2.8 74 85 A Y T 3 S- 0 0 170 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.455 120.3-110.0 -84.9 -1.9 23.9 -13.0 3.5 75 86 A G S < S+ 0 0 55 -3,-2.1 2,-0.3 1,-0.3 -47,-0.2 0.532 71.0 142.5 82.6 10.1 22.5 -12.1 0.1 76 87 A R - 0 0 65 -49,-0.1 -4,-2.3 1,-0.1 -1,-0.3 -0.638 56.3-113.5 -84.0 139.7 19.8 -9.8 1.5 77 88 A G E -dF 29 71A 0 -49,-2.6 -47,-3.4 -2,-0.3 2,-0.6 -0.424 27.0-142.1 -64.3 145.0 18.9 -6.6 -0.4 78 89 A L E +d 30 0A 11 -8,-2.4 -12,-0.5 -49,-0.2 2,-0.3 -0.953 42.0 130.2-117.5 113.2 19.8 -3.5 1.6 79 90 A A E -dE 31 65A 0 -49,-1.5 -47,-2.3 -2,-0.6 2,-0.5 -0.950 60.2-101.8-154.9 165.5 17.3 -0.6 1.2 80 91 A Y E - E 0 64A 0 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.5 -0.874 42.6-150.7 -90.0 132.6 15.1 2.0 2.8 81 92 A I E - E 0 63A 1 -2,-0.5 7,-3.5 -18,-0.2 8,-0.5 -0.932 8.4-161.0-114.9 133.6 11.6 0.7 2.7 82 93 A Y E -GE 87 62A 17 -20,-2.4 -20,-2.2 -2,-0.5 2,-0.6 -0.936 8.5-162.5-117.0 131.0 8.5 3.0 2.5 83 94 A A E > S-GE 86 61A 7 3,-2.6 3,-2.2 -2,-0.4 -22,-0.2 -0.960 85.9 -24.8-109.3 111.0 4.9 2.1 3.4 84 95 A D T 3 S- 0 0 82 -24,-2.8 -1,-0.2 -2,-0.6 -23,-0.1 0.884 129.7 -48.6 46.9 45.9 2.6 4.7 1.8 85 96 A G T 3 S+ 0 0 38 -25,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.300 114.3 116.0 82.8 -4.9 5.4 7.1 1.7 86 97 A K E < -G 83 0A 153 -3,-2.2 -3,-2.6 4,-0.0 2,-0.5 -0.840 67.9-124.4 -99.3 128.1 6.5 6.7 5.3 87 98 A M E > -G 82 0A 9 -2,-0.5 4,-2.1 -5,-0.2 -5,-0.3 -0.551 12.7-157.3 -76.1 123.2 10.0 5.2 5.8 88 99 A V H > S+ 0 0 1 -7,-3.5 4,-2.2 -2,-0.5 5,-0.2 0.908 92.8 56.1 -61.7 -42.0 9.9 2.1 7.9 89 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.909 110.4 45.0 -54.7 -44.7 13.6 2.5 8.9 90 101 A E H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.913 110.1 54.0 -69.9 -43.8 12.9 6.0 10.3 91 102 A A H X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.869 106.6 51.5 -59.8 -40.4 9.8 5.0 12.1 92 103 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 6,-0.9 0.925 114.6 43.2 -63.7 -43.0 11.5 2.1 14.0 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.901 109.9 55.8 -68.5 -39.9 14.3 4.5 15.1 94 105 A R H 3<5S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.851 108.2 50.3 -63.0 -31.3 11.8 7.3 16.0 95 106 A Q T 3<5S- 0 0 82 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.438 114.2-115.9 -85.1 -1.3 10.0 4.8 18.3 96 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.5 2,-0.2 -3,-0.2 0.767 85.1 118.7 68.3 24.6 13.2 3.7 20.1 97 108 A L S - 0 0 84 3,-0.4 3,-1.7 -2,-0.2 -35,-0.2 -0.937 65.5 -31.2-106.5 118.7 27.9 -0.5 5.7 105 116 A K T 3 S- 0 0 117 -2,-0.6 -36,-1.7 1,-0.3 -1,-0.2 0.820 121.2 -45.1 43.5 54.3 29.7 -0.0 2.4 106 117 A G T 3 S+ 0 0 30 -38,-0.2 2,-1.7 1,-0.2 -39,-0.3 0.475 94.7 135.8 81.8 4.1 28.8 3.6 1.6 107 118 A N < + 0 0 0 -3,-1.7 -3,-0.4 1,-0.2 -1,-0.2 -0.532 27.6 119.0 -87.6 75.5 25.1 3.3 2.4 108 119 A N > + 0 0 63 -2,-1.7 3,-1.3 -5,-0.1 4,-0.5 0.232 23.0 115.9-125.5 13.6 24.8 6.6 4.4 109 120 A T T 3 S+ 0 0 62 1,-0.3 3,-0.3 -3,-0.2 4,-0.2 0.897 91.1 29.1 -57.7 -45.6 22.3 8.8 2.5 110 121 A H T 3> S+ 0 0 33 1,-0.2 4,-2.9 2,-0.1 -1,-0.3 0.271 88.2 110.1-100.2 11.9 19.7 8.9 5.3 111 122 A E H <> S+ 0 0 42 -3,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.910 82.3 43.6 -53.2 -48.4 22.2 8.5 8.2 112 123 A Q H > S+ 0 0 138 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.2 0.908 112.3 53.5 -68.4 -35.6 21.7 12.1 9.5 113 124 A L H > S+ 0 0 70 -4,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.920 112.9 44.0 -56.7 -48.4 17.9 11.8 9.0 114 125 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.871 108.8 56.6 -68.4 -37.7 17.9 8.6 11.1 115 126 A R H X S+ 0 0 93 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.865 105.8 52.4 -59.2 -36.0 20.3 10.2 13.7 116 127 A K H X S+ 0 0 163 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.897 109.9 47.5 -63.7 -46.3 17.6 13.0 14.1 117 128 A A H X S+ 0 0 6 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.887 112.0 51.0 -58.1 -43.7 14.9 10.5 14.8 118 129 A E H X S+ 0 0 11 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 104.6 56.4 -64.3 -43.8 17.2 8.7 17.2 119 130 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 110.2 46.0 -53.4 -42.6 17.9 11.9 19.1 120 131 A Q H X S+ 0 0 66 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.864 110.8 50.3 -72.3 -39.3 14.2 12.4 19.7 121 132 A A H <>S+ 0 0 0 -4,-2.0 5,-2.5 2,-0.2 4,-0.2 0.868 113.4 48.6 -63.5 -34.0 13.5 8.8 20.8 122 133 A K H ><5S+ 0 0 90 -4,-2.3 3,-1.1 2,-0.2 -2,-0.2 0.909 108.5 51.3 -75.5 -39.5 16.4 9.3 23.2 123 134 A K H 3<5S+ 0 0 162 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.885 113.3 46.8 -61.6 -38.0 15.1 12.6 24.5 124 135 A E T 3<5S- 0 0 80 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.467 108.5-128.7 -85.0 -2.5 11.8 10.9 25.1 125 136 A K T < 5 - 0 0 104 -3,-1.1 2,-0.3 -4,-0.2 -3,-0.2 0.835 42.4-179.8 59.3 36.9 13.5 7.9 26.8 126 137 A L > < - 0 0 46 -5,-2.5 3,-3.3 3,-0.1 -1,-0.2 -0.513 45.5 -58.5 -78.1 134.2 11.6 5.5 24.5 127 138 A N G > S+ 0 0 52 1,-0.3 3,-2.2 -2,-0.3 4,-0.3 -0.032 135.6 29.4 41.6 -99.8 12.0 1.7 24.7 128 139 A I G 3 S+ 0 0 15 -32,-2.5 3,-0.3 1,-0.3 -1,-0.3 0.736 125.8 50.4 -65.2 -18.7 15.8 1.1 24.2 129 140 A W G X S+ 0 0 52 -3,-3.3 3,-0.9 -33,-0.2 -1,-0.3 0.288 81.3 99.9 -96.4 11.2 16.5 4.5 25.6 130 141 A S T < S+ 0 0 59 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.757 79.6 49.5 -72.1 -23.2 14.4 4.0 28.8 131 142 A E T 3 0 0 154 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.443 360.0 360.0 -96.8 2.1 17.3 3.1 31.1 132 143 A D < 0 0 167 -3,-0.9 -2,-0.1 -10,-0.1 -3,-0.1 0.899 360.0 360.0 70.1 360.0 19.8 6.0 30.4