==== 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 30-DEC-06 2OEO . COMPND 2 MOLECULE: STAPHYLOCOCCAL THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR R.L.REYNALD,E.E.LATTMAN,A.G.GITTIS . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 67.7 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 23.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 20.8 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 0 154 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.6 -1.3 -0.1 -11.0 2 7 A L - 0 0 45 62,-0.1 2,-0.4 1,-0.0 64,-0.1 -0.304 360.0-137.4 -82.2 170.2 1.7 -1.1 -8.9 3 8 A H - 0 0 108 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.994 7.5-126.1-137.3 141.6 2.6 -4.7 -8.0 4 9 A K - 0 0 94 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.656 25.1-163.2 -84.8 137.3 3.7 -6.4 -4.8 5 10 A E E -A 63 0A 22 58,-3.1 58,-2.8 -2,-0.3 2,-0.0 -0.954 20.0-114.7-121.6 140.6 6.9 -8.5 -5.0 6 11 A P E +A 62 0A 105 0, 0.0 17,-0.3 0, 0.0 2,-0.3 -0.334 41.3 158.2 -72.3 157.2 8.0 -11.1 -2.6 7 12 A A E -A 61 0A 15 54,-1.5 54,-0.6 15,-0.1 2,-0.4 -0.951 31.2-121.0-165.3 168.8 11.2 -10.7 -0.5 8 13 A T E -B 21 0A 86 13,-1.6 13,-3.2 -2,-0.3 2,-0.2 -0.970 25.8-112.1-128.0 143.1 12.7 -12.0 2.7 9 14 A L E +B 20 0A 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.506 29.5 172.4 -73.9 129.9 13.8 -10.2 5.9 10 15 A I E S- 0 0 63 9,-2.4 2,-0.3 1,-0.3 10,-0.2 0.770 70.5 -37.9 -97.7 -51.1 17.6 -10.2 6.6 11 16 A K E -B 19 0A 105 8,-1.9 8,-2.8 0, 0.0 -1,-0.3 -0.908 52.4-112.3-174.9 143.8 17.3 -7.7 9.5 12 17 A A E -B 18 0A 19 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.616 27.1-176.8 -79.4 139.1 15.4 -4.7 10.7 13 18 A I - 0 0 79 4,-1.6 2,-0.2 1,-0.4 5,-0.2 0.829 53.5 -46.9 -99.7 -68.4 17.5 -1.6 11.0 14 19 A D S S- 0 0 17 3,-1.8 3,-0.5 33,-0.1 -1,-0.4 -0.721 79.7 -50.5-147.7-160.1 15.3 1.2 12.4 15 20 A G S S+ 0 0 0 22,-0.4 23,-0.1 29,-0.2 77,-0.1 0.861 131.4 15.7 -52.3 -45.1 11.9 2.9 12.0 16 21 A D S S+ 0 0 5 20,-0.1 15,-2.7 21,-0.1 2,-0.4 0.246 115.2 70.3-119.3 12.9 12.1 3.4 8.3 17 22 A T E + C 0 30A 11 -3,-0.5 -3,-1.8 13,-0.2 -4,-1.6 -0.997 49.3 172.4-133.5 136.8 14.9 1.2 7.0 18 23 A V E -BC 12 29A 0 11,-2.0 11,-3.4 -2,-0.4 2,-0.6 -0.998 30.1-128.2-141.7 140.7 15.1 -2.6 6.7 19 24 A K E -BC 11 28A 58 -8,-2.8 -9,-2.4 -2,-0.3 -8,-1.9 -0.814 36.9-179.6 -91.0 119.6 17.7 -4.9 5.1 20 25 A L E -BC 9 27A 1 7,-3.4 7,-2.4 -2,-0.6 2,-0.9 -0.908 35.2-124.0-124.0 150.1 16.0 -7.3 2.8 21 26 A M E -BC 8 26A 68 -13,-3.2 -13,-1.6 -2,-0.3 2,-0.6 -0.841 38.4-172.5 -89.5 106.2 17.1 -10.1 0.5 22 27 A Y E > - C 0 25A 30 3,-2.9 3,-1.7 -2,-0.9 -15,-0.1 -0.936 63.1 -27.6-111.6 114.9 15.7 -8.9 -2.8 23 28 A K T 3 S- 0 0 163 -2,-0.6 -1,-0.2 -17,-0.3 -16,-0.1 0.883 128.8 -44.7 50.4 43.1 15.9 -11.3 -5.8 24 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.316 122.8 89.1 90.7 -9.2 19.0 -13.0 -4.3 25 30 A Q E < S-C 22 0A 133 -3,-1.7 -3,-2.9 -5,-0.0 2,-0.2 -0.955 77.3-111.3-126.5 142.5 20.9 -9.9 -3.2 26 31 A P E +C 21 0A 69 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.467 41.1 172.5 -69.7 139.2 20.9 -8.0 0.1 27 32 A M E -C 20 0A 48 -7,-2.4 -7,-3.4 -2,-0.2 2,-0.5 -0.995 32.8-129.4-150.6 139.9 19.5 -4.5 -0.1 28 33 A T E -C 19 0A 41 47,-0.4 49,-2.5 -2,-0.3 2,-0.5 -0.823 28.7-154.9 -88.8 124.4 18.7 -1.8 2.4 29 34 A F E -Cd 18 77A 0 -11,-3.4 -11,-2.0 -2,-0.5 2,-0.5 -0.907 4.4-156.3-107.1 128.7 15.1 -0.5 1.8 30 35 A R E -Cd 17 78A 20 47,-3.1 49,-1.3 -2,-0.5 -13,-0.2 -0.892 28.1-113.9-101.4 129.0 14.0 3.0 2.8 31 36 A L E > - d 0 79A 2 -15,-2.7 3,-0.8 -2,-0.5 49,-0.2 -0.438 31.3-121.8 -67.5 128.8 10.3 3.4 3.4 32 37 A L T 3 S+ 0 0 11 47,-1.6 49,-0.1 -2,-0.2 71,-0.1 -0.397 83.9 5.6 -70.8 146.3 8.6 5.7 0.9 33 38 A L T 3 S+ 0 0 3 69,-0.6 68,-1.5 1,-0.1 2,-0.3 0.487 109.7 92.0 62.1 10.4 6.7 8.8 2.0 34 39 A V E < -H 100 0B 0 -3,-0.8 2,-0.3 66,-0.3 66,-0.2 -0.878 50.9-162.6-132.7 164.2 7.6 8.6 5.7 35 40 A D E -H 99 0B 62 64,-1.4 64,-2.3 -2,-0.3 3,-0.0 -0.891 10.0-169.6-148.3 110.4 10.2 9.7 8.2 36 41 A T - 0 0 2 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.710 35.5 -98.9 -96.7 150.5 10.6 8.1 11.5 37 42 A P - 0 0 20 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.330 46.3 -96.3 -66.9 154.1 12.8 9.6 14.2 38 43 A E > - 0 0 93 1,-0.1 3,-1.7 -24,-0.1 6,-0.2 -0.332 36.0-107.2 -64.4 157.1 16.3 8.3 14.5 39 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.831 121.9 54.3 -56.2 -33.5 16.9 5.6 17.2 40 51 A N T 3 S+ 0 0 132 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.637 100.0 79.1 -76.1 -15.3 18.7 8.2 19.3 41 52 A E S X S- 0 0 96 -3,-1.7 3,-2.1 1,-0.1 2,-0.0 -0.493 99.6 -76.4 -93.2 162.7 15.8 10.7 19.1 42 53 A K T 3 S+ 0 0 161 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 -0.346 121.2 11.8 -59.0 133.1 12.5 10.7 21.1 43 54 A Y T 3> S+ 0 0 46 -4,-0.1 4,-2.5 -3,-0.1 -1,-0.3 0.317 99.5 111.6 77.2 -4.1 10.1 8.0 19.8 44 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.5 -6,-0.2 -29,-0.2 0.905 75.5 45.2 -64.4 -47.7 13.0 6.6 17.8 45 56 A P H > S+ 0 0 48 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.889 115.1 49.5 -64.3 -38.1 13.3 3.3 19.8 46 57 A E H > S+ 0 0 101 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.909 111.3 48.4 -65.2 -42.7 9.5 2.9 19.7 47 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.922 113.9 47.5 -62.9 -44.9 9.5 3.5 15.9 48 59 A S H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 112.2 48.7 -61.7 -46.8 12.4 1.0 15.6 49 60 A A H X S+ 0 0 55 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.864 110.0 53.1 -61.9 -38.9 10.6 -1.6 17.8 50 61 A F H X S+ 0 0 54 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.959 113.6 40.3 -61.4 -56.1 7.4 -1.2 15.9 51 62 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 5,-0.3 0.901 114.7 55.1 -61.0 -40.5 8.9 -1.8 12.4 52 63 A K H X S+ 0 0 97 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.918 109.3 45.4 -59.8 -47.6 11.1 -4.6 13.9 53 64 A A H X S+ 0 0 49 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.883 112.0 52.9 -64.9 -40.0 8.1 -6.5 15.3 54 65 A M H < S+ 0 0 38 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.930 116.8 36.2 -61.7 -47.6 6.1 -6.1 12.1 55 66 A V H < S+ 0 0 4 -4,-2.3 -46,-0.2 2,-0.2 -2,-0.2 0.786 117.2 49.8 -79.9 -30.0 8.8 -7.5 9.8 56 67 A E H < S+ 0 0 97 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.879 114.3 43.7 -76.0 -38.8 10.2 -10.2 12.1 57 68 A N S < S+ 0 0 121 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.2 0.484 93.4 109.0 -84.7 -1.9 6.9 -11.8 13.0 58 69 A A - 0 0 17 -4,-0.3 -49,-0.2 1,-0.2 3,-0.1 -0.588 47.8-170.6 -82.0 132.5 5.7 -11.6 9.4 59 70 A K S S+ 0 0 192 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.856 82.5 47.5 -83.7 -39.5 5.4 -14.8 7.4 60 71 A K - 0 0 104 -52,-0.0 24,-2.9 -54,-0.0 2,-0.5 -0.899 68.6-176.3-111.0 113.2 4.9 -12.9 4.1 61 72 A I E +AE 7 83A 16 -2,-0.6 -54,-1.5 -54,-0.6 2,-0.3 -0.912 9.1 176.5-108.3 132.0 7.2 -10.0 3.3 62 73 A E E -AE 6 82A 30 20,-2.1 20,-2.6 -2,-0.5 2,-0.4 -0.976 18.1-155.1-136.3 148.6 6.5 -7.9 0.2 63 74 A V E -AE 5 81A 0 -58,-2.8 -58,-3.1 -2,-0.3 2,-0.4 -0.915 6.3-165.6-118.1 147.6 8.0 -4.8 -1.4 64 75 A E E - E 0 80A 16 16,-1.7 16,-2.6 -2,-0.4 -60,-0.2 -0.881 7.6-155.4-138.9 101.6 6.0 -2.5 -3.8 65 76 A F E - E 0 79A 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.409 17.2-132.4 -70.9 152.8 8.0 -0.1 -5.9 66 77 A D - 0 0 7 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.070 36.9 -82.5 -89.1-160.0 6.1 3.1 -7.0 67 78 A K S S+ 0 0 139 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.439 105.3 38.1 -89.2 1.8 6.1 4.5 -10.5 68 79 A G S S+ 0 0 29 1,-0.3 39,-0.1 2,-0.0 37,-0.0 0.010 102.5 6.1-122.0-136.7 9.4 6.4 -10.3 69 80 A Q - 0 0 132 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.237 47.4-167.6 -54.0 133.4 12.9 6.2 -8.9 70 81 A R + 0 0 109 1,-0.2 8,-2.8 -3,-0.1 2,-0.3 0.574 68.5 34.2-101.9 -14.5 13.7 2.8 -7.3 71 82 A T B S-F 77 0A 79 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.983 72.4-139.0-139.3 150.1 16.9 3.7 -5.5 72 83 A D > - 0 0 26 4,-1.9 3,-2.2 -2,-0.3 -2,-0.0 -0.413 39.2 -86.3-102.7-177.3 18.2 6.8 -3.7 73 84 A K T 3 S+ 0 0 180 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.589 127.2 55.4 -61.9 -12.3 21.6 8.7 -3.5 74 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.283 119.9-106.9-104.4 7.4 22.5 6.4 -0.6 75 86 A G S < S+ 0 0 56 -3,-2.2 -47,-0.4 1,-0.3 2,-0.3 0.638 72.8 141.2 76.7 16.8 22.0 3.2 -2.6 76 87 A R - 0 0 61 -49,-0.1 -4,-1.9 -47,-0.1 -1,-0.3 -0.709 54.8-116.8 -95.3 141.3 18.7 2.3 -0.8 77 88 A G E -dF 29 71A 0 -49,-2.5 -47,-3.1 -2,-0.3 2,-0.7 -0.502 25.0-141.7 -71.7 141.6 15.7 0.7 -2.5 78 89 A L E +d 30 0A 19 -8,-2.8 -12,-0.5 -49,-0.2 2,-0.3 -0.907 45.0 118.9-111.4 108.9 12.6 2.9 -2.4 79 90 A A E -dE 31 65A 0 -49,-1.3 -47,-1.6 -2,-0.7 2,-0.5 -0.956 63.4 -95.7-157.6 172.4 9.4 1.1 -1.8 80 91 A Y E - E 0 64A 0 -16,-2.6 -16,-1.7 -2,-0.3 2,-0.4 -0.845 41.9-145.0 -94.7 130.9 6.3 0.4 0.3 81 92 A D E - E 0 63A 4 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.853 11.3-163.4-102.6 137.0 6.8 -2.6 2.6 82 93 A Y E -GE 87 62A 17 -20,-2.6 -20,-2.1 -2,-0.4 2,-0.5 -0.966 5.4-166.6-121.7 133.0 4.0 -5.0 3.5 83 94 A A E > S-GE 86 61A 6 3,-3.0 3,-1.8 -2,-0.4 -22,-0.2 -0.967 81.2 -23.9-120.1 109.1 4.1 -7.4 6.4 84 95 A D T 3 S- 0 0 70 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.905 129.4 -47.4 54.6 44.8 1.4 -10.1 6.2 85 96 A G T 3 S+ 0 0 38 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.203 116.7 111.3 86.2 -17.4 -0.7 -7.8 4.0 86 97 A A E < -G 83 0A 47 -3,-1.8 -3,-3.0 -32,-0.1 2,-0.4 -0.792 69.5-124.0 -95.3 131.5 -0.3 -4.7 6.2 87 98 A M E > -G 82 0A 9 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.589 11.5-156.0 -76.3 124.3 1.7 -1.8 4.9 88 99 A V H > S+ 0 0 1 -7,-3.1 4,-2.4 -2,-0.4 5,-0.2 0.903 93.5 56.3 -63.3 -44.1 4.5 -0.8 7.3 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.929 112.5 41.4 -53.2 -51.1 4.6 2.8 5.9 90 101 A E H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.881 111.8 54.2 -66.0 -44.0 0.9 3.3 6.7 91 102 A A H X S+ 0 0 25 -4,-2.3 4,-1.5 1,-0.2 6,-0.2 0.892 108.2 50.1 -59.8 -41.7 1.0 1.5 10.1 92 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.8 0.911 112.9 45.9 -63.3 -44.5 3.8 3.7 11.4 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.894 109.6 54.6 -66.7 -39.7 2.0 6.9 10.3 94 105 A R H 3<5S+ 0 0 79 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.821 109.9 47.2 -63.9 -31.2 -1.3 5.7 11.9 95 106 A Q T 3<5S- 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.488 115.4-116.5 -87.2 -6.0 0.4 5.2 15.2 96 107 A G T < 5S+ 0 0 0 -3,-1.0 32,-2.1 -4,-0.4 -3,-0.2 0.732 84.1 119.0 76.8 22.2 2.1 8.6 15.0 97 108 A L S - 0 0 155 -2,-1.0 3,-1.7 3,-0.4 -3,-0.0 -0.865 32.2-128.9-100.9 136.5 8.2 13.2 -4.4 105 116 A S G > S+ 0 0 103 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.816 106.8 60.3 -50.7 -37.1 5.7 13.4 -7.3 106 117 A G G 3 S+ 0 0 42 1,-0.3 -39,-0.3 2,-0.1 -1,-0.3 0.779 117.0 30.3 -63.8 -28.6 7.4 10.5 -9.1 107 118 A N G < S+ 0 0 10 -3,-1.7 -3,-0.4 -40,-0.2 -1,-0.3 -0.561 85.2 112.8-130.0 69.3 6.7 8.2 -6.2 108 119 A N X + 0 0 39 -3,-0.8 3,-1.6 -2,-0.1 4,-0.3 0.124 25.4 123.8-129.9 24.9 3.4 9.4 -4.6 109 120 A T T 3 S+ 0 0 59 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.843 84.2 36.0 -55.7 -42.0 0.8 6.7 -5.2 110 121 A H T 3> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.180 82.8 114.8-100.1 20.4 -0.1 6.2 -1.5 111 122 A E H <> S+ 0 0 37 -3,-1.6 4,-2.3 1,-0.2 5,-0.2 0.925 78.2 44.6 -54.2 -53.3 0.2 9.8 -0.5 112 123 A Q H > S+ 0 0 134 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.889 110.5 54.8 -59.7 -43.2 -3.5 10.3 0.3 113 124 A L H > S+ 0 0 69 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.924 113.5 42.5 -56.1 -45.1 -3.7 7.0 2.2 114 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.827 110.8 53.3 -73.3 -35.0 -0.8 8.1 4.4 115 126 A R H X S+ 0 0 93 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.831 108.4 52.5 -69.7 -29.5 -1.9 11.7 5.0 116 127 A A H X S+ 0 0 63 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.859 109.7 48.4 -70.6 -38.0 -5.3 10.4 6.1 117 128 A A H X S+ 0 0 7 -4,-1.3 4,-1.7 -5,-0.2 -2,-0.2 0.867 111.8 50.3 -69.5 -36.8 -3.5 8.1 8.6 118 129 A E H X S+ 0 0 21 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.875 106.1 54.0 -69.1 -40.8 -1.4 11.0 9.8 119 130 A A H X S+ 0 0 39 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.885 110.7 47.6 -62.4 -36.7 -4.4 13.3 10.3 120 131 A Q H X S+ 0 0 61 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.867 109.9 51.6 -72.3 -35.3 -6.0 10.6 12.5 121 132 A A H <>S+ 0 0 0 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.894 111.3 49.5 -66.1 -38.5 -2.8 10.1 14.5 122 133 A K H ><5S+ 0 0 82 -4,-2.4 3,-1.4 3,-0.2 -2,-0.2 0.916 108.4 51.6 -64.4 -48.2 -2.7 13.9 15.0 123 134 A K H 3<5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.869 112.3 46.5 -57.5 -39.3 -6.3 14.0 16.2 124 135 A E T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.416 108.9-128.2 -84.2 0.8 -5.6 11.3 18.7 125 136 A K T < 5 + 0 0 143 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.902 43.1 179.3 50.5 50.2 -2.4 13.1 19.8 126 137 A L > < - 0 0 44 -5,-2.3 3,-2.5 3,-0.1 -1,-0.2 -0.699 44.0 -55.9 -90.2 134.1 -0.3 10.0 19.3 127 138 A N G > S+ 0 0 46 -2,-0.4 3,-1.4 1,-0.3 -30,-0.2 -0.154 133.3 23.8 42.6-102.0 3.5 9.9 20.0 128 139 A I G 3 S+ 0 0 56 -32,-2.1 -1,-0.3 1,-0.3 -31,-0.1 0.749 130.8 46.8 -64.2 -21.4 5.2 12.6 17.8 129 140 A W G < 0 0 81 -3,-2.5 -1,-0.3 -33,-0.2 -2,-0.2 0.379 360.0 360.0 -99.1 2.2 1.9 14.5 17.7 130 141 A S < 0 0 89 -3,-1.4 -1,-0.2 -34,-0.1 -2,-0.1 0.793 360.0 360.0 -60.1 360.0 1.2 14.2 21.5