==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-MAY-13 4KTA . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR P.C.BELL-UPP,J.L.SCHLESSMAN,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 69.0 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 . 7 5.4 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 . 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 0 2 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 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 82 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 149.7 33.5 -1.3 -8.3 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.2 -0.987 360.0-120.0-138.3 146.6 34.0 -4.7 -6.9 3 9 A K E -A 63 0A 87 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.555 26.2-169.8 -80.8 144.7 35.2 -6.2 -3.6 4 10 A E E -A 62 0A 19 58,-2.2 58,-3.2 -2,-0.2 2,-0.0 -0.969 25.7-102.6-134.3 148.8 38.3 -8.5 -3.5 5 11 A P E +A 61 0A 105 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.301 41.1 161.1 -74.2 159.1 39.5 -10.7 -0.6 6 12 A A E -A 60 0A 13 54,-1.8 54,-0.8 15,-0.1 2,-0.4 -0.950 28.0-130.8-162.9 163.8 42.4 -9.9 1.6 7 13 A T E -D 20 0B 91 13,-1.5 13,-2.7 -2,-0.3 2,-0.1 -0.977 30.0-108.2-124.0 137.9 43.8 -11.0 5.0 8 14 A L E +D 19 0B 44 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.430 35.1 171.3 -59.8 132.2 44.9 -8.7 7.9 9 15 A I E - 0 0 70 9,-3.2 2,-0.3 1,-0.2 10,-0.2 0.741 67.7 -27.8 -99.5 -52.1 48.7 -8.7 8.3 10 16 A K E -D 18 0B 122 8,-2.2 8,-3.4 44,-0.0 -1,-0.2 -0.933 53.4-118.1-165.4 139.6 48.8 -5.9 10.9 11 17 A A E +D 17 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.442 31.4 175.1 -70.4 144.4 47.0 -2.7 12.0 12 18 A I E - 0 0 80 4,-1.3 2,-0.2 1,-0.5 5,-0.2 0.613 51.7 -46.5-117.9 -66.9 49.2 0.4 11.5 13 19 A D E > S-D 16 0B 22 3,-2.1 3,-0.6 33,-0.1 -1,-0.5 -0.790 76.8 -55.1-150.8-161.0 47.2 3.5 12.4 14 20 A G T 3 S+ 0 0 0 22,-0.4 77,-0.1 -2,-0.2 23,-0.1 0.847 131.1 15.9 -52.0 -40.9 43.8 5.2 11.7 15 21 A D T 3 S+ 0 0 3 21,-0.1 15,-2.7 20,-0.1 2,-0.3 0.212 116.4 67.9-127.1 17.8 44.0 5.2 7.9 16 22 A T E < +DE 13 29B 11 -3,-0.6 -3,-2.1 13,-0.2 -4,-1.3 -0.996 51.3 169.5-138.9 137.9 46.7 2.7 7.0 17 23 A V E -DE 11 28B 3 11,-1.9 11,-3.1 -2,-0.3 2,-0.6 -0.998 32.6-122.9-148.6 145.0 46.7 -1.1 7.5 18 24 A K E +DE 10 27B 68 -8,-3.4 -9,-3.2 -2,-0.3 -8,-2.2 -0.842 40.1 170.3 -96.0 122.0 49.0 -3.9 6.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.6 -2,-0.6 2,-0.6 -0.871 37.3-122.5-126.3 154.9 47.1 -6.5 4.3 20 26 A M E +DE 7 25B 84 -13,-2.7 -13,-1.5 -2,-0.3 2,-0.4 -0.929 36.9 178.5 -95.7 120.5 47.9 -9.6 2.2 21 27 A Y E > - E 0 24B 21 3,-2.7 3,-2.4 -2,-0.6 -15,-0.1 -0.978 67.5 -7.7-130.5 132.4 46.4 -9.0 -1.2 22 28 A K T 3 S- 0 0 154 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.861 132.1 -56.7 40.5 41.5 46.8 -11.5 -4.1 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -17,-0.0 0.469 118.3 105.3 80.9 1.4 49.2 -13.3 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-2.4 -3,-2.7 2,-0.0 2,-0.2 -0.932 72.8-115.0-118.4 137.3 51.5 -10.3 -1.3 25 31 A P E +E 20 0B 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.501 43.2 169.5 -65.7 137.6 52.0 -8.0 1.7 26 32 A M E -E 19 0B 40 -7,-2.6 -7,-2.6 -2,-0.2 2,-0.6 -0.996 35.3-127.3-150.1 140.1 50.9 -4.5 1.0 27 33 A T E -E 18 0B 32 -2,-0.3 49,-2.3 47,-0.3 2,-0.4 -0.846 30.2-154.7 -87.2 129.7 50.4 -1.3 3.0 28 34 A F E -Ef 17 76B 0 -11,-3.1 -11,-1.9 -2,-0.6 2,-0.5 -0.885 8.6-159.4-109.9 130.6 46.9 0.1 2.3 29 35 A R E -Ef 16 77B 20 47,-3.1 49,-1.2 -2,-0.4 -13,-0.2 -0.937 30.5-116.3-103.6 127.0 46.0 3.8 2.7 30 36 A L E > - f 0 78B 5 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.432 30.8-118.0 -65.9 129.9 42.2 4.3 3.0 31 37 A L T 3 S+ 0 0 10 47,-2.4 49,-0.1 -2,-0.2 71,-0.1 -0.383 84.1 4.9 -67.1 143.8 40.7 6.4 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.2 74,-0.1 2,-0.3 0.449 108.0 90.7 74.1 11.8 39.0 9.7 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.910 52.8-156.4-136.1 161.0 39.7 10.1 4.4 34 40 A D E -H 98 0C 50 64,-2.1 64,-2.0 -2,-0.3 -3,-0.0 -0.911 8.0-171.0-141.0 117.6 42.3 11.5 6.8 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.681 36.8 -99.9 -92.5 153.7 42.8 10.4 10.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.427 44.7 -99.5 -63.5 152.7 45.1 12.3 12.7 37 43 A E > - 0 0 86 1,-0.1 3,-2.3 -24,-0.1 6,-0.3 -0.282 39.0-103.3 -61.5 157.1 48.6 10.9 13.2 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.796 123.0 55.6 -57.0 -32.0 49.1 8.8 16.4 39 51 A N T 3 S+ 0 0 134 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.390 99.6 79.1 -80.9 0.0 50.9 11.8 18.1 40 52 A E S X S- 0 0 96 -3,-2.3 3,-2.1 1,-0.1 2,-0.0 -0.675 99.1 -75.3-108.5 160.5 48.0 14.1 17.4 41 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.343 120.3 10.4 -55.3 132.4 44.7 14.6 19.2 42 54 A Y T 3> S+ 0 0 42 -4,-0.1 4,-1.7 -7,-0.1 -1,-0.3 0.319 98.7 111.1 71.5 -0.6 42.2 11.7 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.5 -6,-0.3 5,-0.2 0.931 75.8 47.1 -64.3 -49.9 45.1 9.8 16.7 44 56 A P H > S+ 0 0 52 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.943 113.5 49.3 -61.7 -38.2 45.3 7.1 19.3 45 57 A E H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.862 111.1 50.3 -64.1 -35.4 41.5 6.7 19.2 46 58 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.946 111.3 47.3 -69.5 -45.2 41.5 6.5 15.4 47 59 A S H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.911 114.2 47.9 -61.4 -44.4 44.3 3.8 15.5 48 60 A A H X S+ 0 0 57 -4,-2.8 4,-2.9 -5,-0.2 5,-0.3 0.900 110.8 51.6 -59.7 -44.7 42.4 1.9 18.1 49 61 A F H X S+ 0 0 56 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.956 114.9 40.3 -61.4 -50.5 39.1 2.1 16.2 50 62 A T H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.883 114.9 53.3 -63.6 -42.4 40.6 0.8 12.9 51 63 A K H X S+ 0 0 98 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.938 111.2 45.8 -60.5 -47.2 42.7 -1.8 14.8 52 64 A K H X S+ 0 0 139 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.897 113.5 49.5 -61.5 -44.5 39.6 -3.2 16.6 53 65 A M H X S+ 0 0 32 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.878 116.0 40.8 -66.2 -37.8 37.5 -3.2 13.4 54 66 A V H < S+ 0 0 3 -4,-2.4 3,-0.2 2,-0.2 -2,-0.2 0.873 116.0 49.3 -81.3 -35.3 40.1 -5.0 11.3 55 67 A E H < S+ 0 0 93 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.792 111.9 47.8 -73.2 -33.3 41.2 -7.5 13.9 56 68 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.629 89.4 105.1 -80.4 -14.4 37.7 -8.5 14.8 57 69 A A < - 0 0 18 -4,-0.6 3,-0.1 -3,-0.2 -3,-0.0 -0.407 54.5-161.0 -72.1 140.7 36.6 -9.0 11.2 58 70 A K S S+ 0 0 193 1,-0.3 2,-0.4 -2,-0.1 -1,-0.2 0.743 85.5 36.5 -81.5 -25.7 36.2 -12.6 10.0 59 71 A K - 0 0 110 -52,-0.0 24,-2.9 -3,-0.0 2,-0.5 -0.986 65.8-170.3-136.4 119.1 36.4 -11.2 6.4 60 72 A I E -AB 6 82A 11 -54,-0.8 -54,-1.8 -2,-0.4 2,-0.3 -0.933 12.7-173.5-101.9 135.3 38.5 -8.3 5.1 61 73 A E E -AB 5 81A 26 20,-2.4 20,-2.6 -2,-0.5 2,-0.4 -0.953 15.0-145.0-127.4 153.4 37.9 -7.0 1.6 62 74 A V E -AB 4 80A 0 -58,-3.2 -58,-2.2 -2,-0.3 2,-0.5 -0.924 10.8-171.2-114.3 133.9 39.6 -4.5 -0.7 63 75 A E E -AB 3 79A 12 16,-2.6 16,-3.0 -2,-0.4 2,-0.2 -0.931 7.5-160.7-129.1 107.9 37.7 -2.3 -3.1 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.526 12.3-137.4 -80.0 152.8 39.8 -0.3 -5.6 65 77 A D - 0 0 6 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.080 36.7 -85.0 -89.8-162.9 38.3 2.8 -7.3 66 78 A K S S+ 0 0 152 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.708 104.1 50.5 -88.4 -15.0 38.6 3.7 -11.0 67 79 A G S S- 0 0 33 38,-0.9 39,-0.1 1,-0.3 38,-0.1 0.229 106.3 -10.9-101.7-138.3 42.0 5.6 -10.9 68 80 A Q - 0 0 118 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.253 45.0-163.7 -73.7 142.3 45.3 4.8 -9.5 69 81 A R S S+ 0 0 115 1,-0.1 8,-2.5 -3,-0.1 2,-0.4 0.513 76.2 47.5 -97.9 -9.9 45.6 1.8 -7.2 70 82 A T B S-G 76 0B 76 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.993 74.5-142.4-134.6 133.8 49.0 2.7 -5.7 71 83 A D > - 0 0 23 4,-3.1 3,-1.8 -2,-0.4 -2,-0.1 -0.251 41.9 -86.8 -85.8-175.6 50.1 6.1 -4.3 72 84 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.657 127.3 55.2 -69.3 -16.0 53.5 7.6 -4.7 73 85 A Y T 3 S- 0 0 160 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.204 121.4-103.6 -97.2 10.1 54.8 5.8 -1.6 74 86 A G S < S+ 0 0 53 -3,-1.8 2,-0.3 1,-0.3 -47,-0.3 0.549 75.8 140.7 80.8 7.0 53.8 2.4 -2.9 75 87 A R - 0 0 68 -49,-0.1 -4,-3.1 -47,-0.1 -1,-0.3 -0.656 54.5-120.9 -81.5 140.1 50.7 2.2 -0.7 76 88 A G E -fG 28 70B 0 -49,-2.3 -47,-3.1 -2,-0.3 2,-0.6 -0.498 21.3-139.6 -74.5 149.9 47.6 0.6 -2.3 77 89 A L E +f 29 0B 21 -8,-2.5 -12,-0.4 -49,-0.2 2,-0.3 -0.961 43.0 130.9-118.3 115.0 44.6 3.0 -2.4 78 90 A A E -f 30 0B 0 -49,-1.2 -47,-2.4 -2,-0.6 2,-0.5 -0.950 60.1-105.1-150.7 165.6 41.3 1.3 -1.6 79 91 A Y E -B 63 0A 0 -16,-3.0 -16,-2.6 -2,-0.3 2,-0.4 -0.900 43.2-150.7 -91.5 134.0 38.1 1.2 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-2.7 -18,-0.2 8,-0.7 -0.892 7.8-158.3-116.4 136.0 38.5 -1.5 3.0 81 93 A Y E -BC 61 86A 15 -20,-2.6 -20,-2.4 -2,-0.4 2,-0.5 -0.948 8.2-160.7-121.2 139.7 35.6 -3.5 4.3 82 94 A A E > S-BC 60 85A 7 3,-3.2 3,-1.4 -2,-0.4 -22,-0.2 -0.963 84.1 -25.8-121.7 103.6 35.3 -5.4 7.6 83 95 A D T 3 S- 0 0 79 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.910 129.7 -46.3 51.7 47.9 32.6 -8.0 7.5 84 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.256 116.8 113.4 87.2 -12.5 30.7 -5.9 4.8 85 97 A K E < -C 82 0A 82 -3,-1.4 -3,-3.2 4,-0.0 2,-0.5 -0.833 69.5-123.7 -95.3 127.1 31.2 -2.6 6.7 86 98 A M E > -C 81 0A 6 -2,-0.5 4,-2.4 -5,-0.3 -5,-0.3 -0.525 13.2-158.6 -71.4 114.6 33.4 0.1 5.0 87 99 A V H > S+ 0 0 1 -7,-2.7 4,-2.5 -2,-0.5 5,-0.3 0.930 93.0 58.3 -57.7 -43.8 36.2 1.1 7.5 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.915 112.2 40.6 -52.4 -45.3 36.6 4.4 5.6 89 101 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.886 111.5 55.7 -72.4 -41.3 32.9 5.3 6.2 90 102 A A H X S+ 0 0 4 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.900 105.9 51.8 -61.6 -43.6 32.9 4.0 9.8 91 103 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-0.7 0.936 111.7 46.3 -53.9 -49.4 35.8 6.3 10.8 92 104 A V H ><5S+ 0 0 0 -4,-1.5 3,-2.1 -5,-0.3 -2,-0.2 0.925 107.5 56.5 -64.2 -42.0 34.0 9.4 9.4 93 105 A Q H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.9 49.2 -59.3 -29.8 30.7 8.5 11.1 94 106 A Q T 3<5S- 0 0 78 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.428 113.0-118.6 -88.5 -1.0 32.6 8.5 14.3 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.4 -4,-0.2 -3,-0.2 0.782 84.5 118.2 65.9 26.6 34.2 11.8 13.7 96 108 A L S - 0 0 154 -2,-1.2 3,-1.7 3,-0.4 -3,-0.0 -0.773 35.8 -98.9-101.2 145.7 41.2 13.3 -6.2 104 116 A K T 3 S+ 0 0 210 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.196 107.8 25.4 -57.0 145.2 39.3 13.1 -9.6 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -38,-0.9 1,-0.1 -1,-0.2 0.398 117.7 61.3 78.9 -9.7 38.9 9.5 -10.8 106 118 A N S < S+ 0 0 12 -3,-1.7 -3,-0.4 -40,-0.2 -74,-0.1 -0.361 77.4 93.3-133.3 57.3 39.2 7.9 -7.4 107 119 A N > + 0 0 54 -5,-0.1 3,-2.1 1,-0.1 4,-0.3 0.157 34.4 128.8-134.2 24.4 36.2 9.5 -5.8 108 120 A T T 3 S+ 0 0 59 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.843 82.0 39.1 -50.8 -41.6 33.3 7.1 -6.3 109 121 A H T 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.1 -1,-0.3 0.184 83.4 111.8-101.2 21.1 32.2 7.0 -2.6 110 122 A E H <> S+ 0 0 33 -3,-2.1 4,-3.2 2,-0.2 5,-0.3 0.957 77.9 45.1 -56.5 -53.0 32.8 10.8 -1.9 111 123 A Q H > S+ 0 0 129 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.905 111.4 53.9 -69.1 -33.2 29.2 11.8 -1.5 112 124 A L H > S+ 0 0 71 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.905 112.9 44.7 -57.4 -44.6 28.5 8.7 0.8 113 125 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.892 110.2 53.5 -70.7 -41.3 31.4 9.8 3.0 114 126 A R H X S+ 0 0 92 -4,-3.2 4,-2.6 2,-0.2 -1,-0.2 0.856 106.3 54.0 -55.8 -37.6 30.4 13.5 3.0 115 127 A K H X S+ 0 0 159 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.949 109.1 47.5 -67.8 -41.1 26.9 12.5 4.2 116 128 A A H X S+ 0 0 11 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.849 111.3 52.0 -64.1 -37.3 28.5 10.6 7.1 117 129 A E H X S+ 0 0 16 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.890 106.3 52.4 -66.7 -41.7 30.7 13.5 7.9 118 130 A A H X S+ 0 0 43 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.942 111.3 47.6 -61.9 -42.0 27.8 15.9 8.0 119 131 A Q H X S+ 0 0 92 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.941 112.1 49.4 -65.2 -41.6 26.0 13.6 10.5 120 132 A A H <>S+ 0 0 1 -4,-2.5 5,-1.9 1,-0.2 4,-0.3 0.874 111.5 49.3 -58.0 -42.8 29.2 13.3 12.6 121 133 A K H ><5S+ 0 0 93 -4,-2.6 3,-1.0 2,-0.2 -1,-0.2 0.883 107.9 54.0 -63.7 -42.9 29.6 17.2 12.6 122 134 A K H 3<5S+ 0 0 148 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.900 111.4 46.0 -58.0 -41.5 25.9 17.6 13.7 123 135 A E T 3<5S- 0 0 105 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.531 106.1-133.1 -80.3 -5.5 26.6 15.3 16.6 124 136 A K T < 5 + 0 0 142 -3,-1.0 2,-0.2 -4,-0.3 -3,-0.2 0.808 41.4 179.9 50.7 37.7 29.8 17.2 17.4 125 137 A L > < - 0 0 43 -5,-1.9 3,-3.6 3,-0.2 -1,-0.2 -0.462 45.4 -55.6 -68.8 132.1 31.6 13.8 17.7 126 138 A N G > S+ 0 0 49 1,-0.3 3,-2.2 2,-0.2 -30,-0.2 -0.043 137.6 30.2 44.1-104.2 35.3 13.5 18.6 127 139 A I G 3 S+ 0 0 37 -32,-2.4 -1,-0.3 1,-0.3 -31,-0.1 0.844 126.2 49.1 -52.2 -31.1 37.1 15.7 15.9 128 140 A W G < 0 0 51 -3,-3.6 -1,-0.3 -33,-0.2 -2,-0.2 0.403 360.0 360.0 -92.9 13.7 34.0 17.9 15.7 129 141 A S < 0 0 103 -3,-2.2 -4,-0.1 -34,-0.1 -5,-0.1 0.074 360.0 360.0 -95.0 360.0 33.6 18.4 19.5