==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-DEC-11 3V2T . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,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) . 7324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.7 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 24.0 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 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 80 0, 0.0 2,-0.3 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 156.2 2.6 4.1 -8.5 2 8 A H - 0 0 111 62,-0.3 62,-0.5 63,-0.1 2,-0.2 -0.989 360.0-116.4-140.2 152.0 3.0 0.6 -6.8 3 9 A K - 0 0 88 -2,-0.3 60,-0.2 60,-0.2 77,-0.1 -0.556 28.8-170.8 -82.5 143.6 4.2 -0.8 -3.6 4 10 A E E -A 62 0A 27 58,-2.5 58,-2.7 -2,-0.2 2,-0.1 -0.959 27.4 -96.4-128.5 154.3 7.3 -3.1 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.332 44.2 156.0 -69.6 151.9 8.7 -5.3 -0.8 6 12 A A E -AB 60 21A 10 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.947 27.3-137.7-158.2 164.7 11.5 -4.4 1.5 7 13 A T E - B 0 20A 83 13,-1.5 13,-2.8 -2,-0.3 2,-0.2 -0.968 28.5-103.6-126.8 148.1 12.6 -5.5 5.0 8 14 A L E + B 0 19A 52 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.481 36.0 169.0 -64.1 130.7 13.9 -3.4 7.9 9 15 A I E - 0 0 72 9,-2.8 2,-0.3 1,-0.3 10,-0.2 0.775 68.9 -23.1 -98.3 -52.4 17.6 -3.5 8.5 10 16 A K E - B 0 18A 150 8,-2.1 8,-2.9 44,-0.0 -1,-0.3 -0.947 55.6-117.7-159.5 139.9 17.8 -0.6 11.0 11 17 A A E + B 0 17A 18 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.423 31.6 173.5 -63.0 143.4 16.0 2.5 12.1 12 18 A I - 0 0 86 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.577 51.6 -45.4-114.5 -74.4 18.1 5.6 11.6 13 19 A D S S- 0 0 21 3,-1.8 -1,-0.5 33,-0.1 3,-0.4 -0.741 74.5 -60.4-142.2-158.6 16.1 8.8 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.832 130.8 18.8 -59.1 -38.6 12.6 10.4 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.5 20,-0.1 2,-0.4 0.301 116.7 65.0-123.8 12.5 12.9 10.5 8.0 16 22 A T E + C 0 29A 12 -3,-0.4 -3,-1.8 13,-0.2 -4,-1.1 -0.996 51.9 170.6-133.6 145.7 15.7 8.0 7.1 17 23 A V E -BC 11 28A 8 11,-2.0 11,-3.1 -2,-0.4 2,-0.6 -0.996 32.4-123.6-151.2 146.7 15.7 4.2 7.5 18 24 A K E +BC 10 27A 76 -8,-2.9 -9,-2.8 -2,-0.3 -8,-2.1 -0.849 40.9 169.4 -97.7 117.5 18.0 1.4 6.3 19 25 A L E -BC 8 26A 2 7,-2.4 7,-2.3 -2,-0.6 2,-0.6 -0.920 37.7-121.3-125.3 151.7 16.0 -1.2 4.4 20 26 A M E +BC 7 25A 80 -13,-2.8 -13,-1.5 -2,-0.3 2,-0.4 -0.848 36.7 179.7 -89.6 125.4 16.9 -4.2 2.3 21 27 A Y E > -BC 6 24A 17 3,-2.8 3,-2.2 -2,-0.6 -15,-0.1 -0.987 67.5 -8.3-135.8 129.1 15.4 -3.6 -1.2 22 28 A K T 3 S- 0 0 157 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.846 132.0 -57.3 44.0 38.9 15.8 -6.1 -4.1 23 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.474 117.9 106.9 81.4 5.1 18.2 -7.9 -1.8 24 30 A Q E < S-C 21 0A 125 -3,-2.2 -3,-2.8 -5,-0.0 2,-0.2 -0.906 72.4-115.4-118.3 140.7 20.5 -4.9 -1.3 25 31 A P E +C 20 0A 75 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.551 44.1 167.0 -72.6 137.2 21.0 -2.7 1.8 26 32 A M E -C 19 0A 43 -7,-2.3 -7,-2.4 -2,-0.2 2,-0.6 -0.995 37.0-126.9-146.2 143.5 20.0 0.9 1.1 27 33 A T E -C 18 0A 45 -2,-0.3 49,-2.4 47,-0.3 2,-0.4 -0.879 30.6-154.9 -88.5 126.2 19.3 4.0 3.1 28 34 A F E -Cd 17 76A 3 -11,-3.1 -11,-2.0 -2,-0.6 2,-0.5 -0.870 7.8-157.4-100.7 134.9 15.9 5.4 2.2 29 35 A R E -Cd 16 77A 23 47,-3.2 49,-1.3 -2,-0.4 2,-0.2 -0.968 29.7-117.4-105.6 126.2 15.0 9.1 2.7 30 36 A L E > - d 0 78A 5 -15,-2.5 3,-0.9 -2,-0.5 49,-0.2 -0.463 31.2-117.9 -68.8 127.5 11.2 9.5 3.0 31 37 A L T 3 S+ 0 0 12 47,-2.2 49,-0.1 -2,-0.2 -1,-0.1 -0.365 84.9 8.3 -59.9 144.0 9.7 11.7 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.5 1,-0.2 2,-0.3 0.492 107.0 93.2 72.8 10.7 8.0 15.0 0.8 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.905 50.9-160.7-134.3 162.9 8.8 15.3 4.5 34 40 A D E -H 98 0B 54 64,-1.6 64,-2.1 -2,-0.3 3,-0.1 -0.912 10.6-169.5-143.4 108.7 11.3 16.8 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.655 37.1 -97.2 -84.0 156.1 11.7 15.6 10.4 36 42 A P - 0 0 15 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.384 46.3-102.9 -63.5 150.5 13.9 17.5 12.9 37 43 A E > - 0 0 87 1,-0.1 3,-2.5 -24,-0.1 6,-0.2 -0.392 36.7-102.7 -68.7 158.7 17.4 16.1 13.3 38 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.812 124.6 55.1 -53.0 -34.1 17.9 14.1 16.4 39 51 A N T 3 S+ 0 0 135 4,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.435 100.4 79.8 -77.6 -6.5 19.7 17.1 18.0 40 52 A E S X S- 0 0 97 -3,-2.5 3,-2.1 1,-0.1 2,-0.1 -0.577 98.8 -76.1-101.1 163.3 16.7 19.3 17.3 41 53 A K T 3 S+ 0 0 165 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.409 121.4 9.9 -58.4 133.3 13.4 19.8 19.2 42 54 A Y T 3> S+ 0 0 45 -2,-0.1 4,-2.4 -4,-0.1 -1,-0.3 0.382 98.4 113.5 69.3 -1.9 11.1 16.9 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.1 4,-2.7 -6,-0.2 5,-0.2 0.961 76.6 45.5 -60.0 -51.3 14.0 15.1 16.7 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.899 114.2 49.5 -63.6 -33.5 14.1 12.3 19.3 45 57 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.884 110.8 50.2 -68.1 -36.7 10.3 12.0 19.2 46 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.954 110.5 48.9 -67.1 -45.0 10.4 11.8 15.4 47 59 A S H X S+ 0 0 19 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 112.5 48.8 -57.2 -43.6 13.2 9.1 15.5 48 60 A A H X S+ 0 0 58 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.872 109.7 52.2 -65.6 -38.5 11.2 7.0 18.0 49 61 A F H X S+ 0 0 58 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.951 114.2 40.8 -65.8 -51.2 8.0 7.3 16.0 50 62 A T H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.882 114.6 53.7 -63.3 -39.2 9.6 6.0 12.8 51 63 A K H X S+ 0 0 95 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.941 112.5 43.5 -63.1 -48.2 11.6 3.4 14.7 52 64 A K H X S+ 0 0 135 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.935 114.1 49.6 -63.5 -45.5 8.4 2.0 16.3 53 65 A M H X S+ 0 0 27 -4,-2.6 4,-0.7 -5,-0.2 -1,-0.2 0.914 116.5 41.7 -61.0 -41.4 6.4 2.1 13.2 54 66 A A H < S+ 0 0 9 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.900 117.7 45.6 -73.4 -41.0 9.1 0.3 11.1 55 67 A E H < S+ 0 0 95 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.808 112.3 49.9 -73.9 -33.4 10.0 -2.3 13.8 56 68 A N H < S+ 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.658 89.1 108.0 -78.5 -19.0 6.4 -3.2 14.7 57 69 A A < - 0 0 18 -4,-0.7 3,-0.2 -3,-0.3 -3,-0.0 -0.381 54.3-161.1 -70.0 134.3 5.4 -3.7 11.1 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.810 86.9 27.9 -77.2 -27.7 4.8 -7.2 9.8 59 71 A K - 0 0 120 -52,-0.0 24,-3.0 2,-0.0 2,-0.4 -0.983 67.6-166.9-143.2 118.5 5.3 -6.0 6.3 60 72 A I E +AE 6 82A 18 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.894 13.9 179.3-101.4 138.8 7.3 -3.0 5.0 61 73 A E E -AE 5 81A 31 20,-2.2 20,-3.0 -2,-0.4 2,-0.3 -0.967 15.0-150.2-134.9 152.4 6.9 -1.8 1.5 62 74 A V E -AE 4 80A 0 -58,-2.7 -58,-2.5 -2,-0.3 2,-0.4 -0.927 4.6-163.6-118.9 151.7 8.4 1.1 -0.6 63 75 A E E - E 0 79A 7 16,-2.0 16,-3.1 -2,-0.3 2,-0.2 -0.968 9.3-152.6-137.7 113.4 6.8 3.0 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.508 15.4-132.2 -81.8 156.2 8.9 5.1 -5.7 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.145 35.2 -85.9 -93.4-164.1 7.4 8.1 -7.4 66 78 A K S S+ 0 0 173 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.613 105.5 43.2 -78.5 -16.5 7.6 9.0 -11.1 67 79 A G S S- 0 0 33 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.170 106.2 -1.3-108.8-140.9 10.9 10.8 -10.9 68 80 A Q - 0 0 140 1,-0.2 -1,-0.3 -4,-0.1 -3,-0.3 -0.257 46.5-168.5 -60.0 137.3 14.3 10.4 -9.4 69 81 A R S S+ 0 0 117 1,-0.1 8,-2.6 -3,-0.1 2,-0.4 0.537 73.2 40.7-104.1 -12.8 14.6 7.2 -7.2 70 82 A T B S-F 76 0A 74 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.988 75.9-138.0-130.9 145.1 17.9 8.1 -5.6 71 83 A D > - 0 0 33 4,-2.8 3,-2.0 -2,-0.4 -2,-0.1 -0.308 41.5 -87.3 -88.0-176.2 19.2 11.4 -4.3 72 84 A K T 3 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.646 128.2 55.2 -69.5 -14.9 22.6 12.9 -4.7 73 85 A Y T 3 S- 0 0 162 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.346 121.3-105.1 -94.1 6.3 23.8 11.1 -1.5 74 86 A G S < S+ 0 0 51 -3,-2.0 2,-0.3 1,-0.3 -47,-0.3 0.564 73.2 145.3 76.5 9.4 22.7 7.6 -2.9 75 87 A R - 0 0 67 -49,-0.1 -4,-2.8 -47,-0.1 -1,-0.3 -0.641 53.6-118.4 -77.0 135.0 19.6 7.5 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.4 -47,-3.2 -2,-0.3 2,-0.6 -0.490 22.8-143.3 -67.9 139.1 16.5 5.9 -2.1 77 89 A L E +d 29 0A 24 -8,-2.6 -12,-0.5 -49,-0.2 2,-0.3 -0.948 43.3 130.2-109.5 111.3 13.6 8.3 -2.4 78 90 A A E -d 30 0A 2 -49,-1.3 -47,-2.2 -2,-0.6 2,-0.5 -0.974 61.1-106.1-149.4 166.1 10.3 6.6 -1.6 79 91 A Y E -E 63 0A 0 -16,-3.1 -16,-2.0 -2,-0.3 2,-0.4 -0.867 42.8-149.1 -88.5 132.9 7.1 6.5 0.3 80 92 A A E -E 62 0A 9 -2,-0.5 7,-3.2 -18,-0.2 8,-0.7 -0.888 10.0-161.5-108.8 144.1 7.4 3.9 3.0 81 93 A Y E -EG 61 86A 16 -20,-3.0 -20,-2.2 -2,-0.4 2,-0.5 -0.945 9.4-161.5-123.9 139.3 4.5 1.8 4.3 82 94 A A E > S-EG 60 85A 8 3,-2.5 3,-2.0 -2,-0.4 -22,-0.2 -0.976 85.7 -23.7-118.0 113.4 4.2 -0.3 7.5 83 95 A D T 3 S- 0 0 84 -24,-3.0 -1,-0.2 -2,-0.5 -23,-0.1 0.928 129.7 -49.3 46.1 47.1 1.4 -2.8 7.3 84 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.300 114.9 115.3 86.0 -13.6 -0.3 -0.6 4.6 85 97 A K E < -G 82 0A 112 -3,-2.0 -3,-2.5 4,-0.0 2,-0.4 -0.806 69.4-122.0 -92.9 129.1 -0.0 2.7 6.6 86 98 A M E > -G 81 0A 6 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.547 14.0-157.6 -78.4 125.4 2.3 5.3 5.0 87 99 A V H > S+ 0 0 8 -7,-3.2 4,-2.6 -2,-0.4 5,-0.2 0.902 92.9 56.2 -63.7 -40.9 5.0 6.4 7.3 88 100 A N H > S+ 0 0 0 -8,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.929 111.8 42.8 -57.1 -52.6 5.5 9.7 5.5 89 101 A E H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.898 111.9 53.9 -58.6 -46.4 1.8 10.6 6.1 90 102 A A H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.909 106.6 51.3 -60.7 -44.7 1.8 9.4 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 6,-0.8 0.936 113.7 45.0 -54.8 -46.3 4.8 11.5 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.935 109.8 54.7 -68.2 -39.4 3.1 14.6 9.2 93 105 A R H 3<5S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.818 109.0 48.6 -64.5 -31.9 -0.3 13.8 10.7 94 106 A Q T 3<5S- 0 0 72 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.336 115.2-114.3 -87.5 4.4 1.3 13.6 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.1 32,-2.4 2,-0.2 -3,-0.2 0.830 86.6 117.0 66.9 26.6 3.2 17.0 13.7 96 108 A L S - 0 0 150 -2,-1.3 3,-2.0 3,-0.4 -3,-0.0 -0.752 33.8 -98.8 -93.2 142.8 10.2 18.6 -6.3 104 116 A K T 3 S+ 0 0 203 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.211 108.8 20.1 -54.9 135.2 8.3 18.6 -9.6 105 117 A G T 3 S+ 0 0 35 -38,-0.1 -38,-0.3 1,-0.1 -1,-0.3 0.379 116.5 66.2 82.4 -10.7 7.8 15.0 -10.9 106 118 A N S < S+ 0 0 13 -3,-2.0 -3,-0.4 -40,-0.2 -74,-0.1 -0.370 76.4 92.7-124.7 54.7 8.3 13.3 -7.5 107 119 A N > + 0 0 55 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.069 32.7 131.6-136.2 35.4 5.2 14.7 -5.8 108 120 A T T 3 S+ 0 0 74 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.866 81.6 39.7 -57.6 -37.7 2.4 12.3 -6.3 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.212 81.6 113.7-101.0 18.1 1.3 12.2 -2.6 110 122 A E H <> S+ 0 0 37 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.935 77.6 44.9 -51.7 -54.3 1.7 16.0 -2.0 111 123 A Q H > S+ 0 0 129 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.905 110.1 55.2 -68.1 -33.2 -1.9 16.9 -1.4 112 124 A L H > S+ 0 0 77 -4,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 112.7 43.8 -56.8 -45.6 -2.5 13.8 0.8 113 125 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.870 110.1 54.3 -72.1 -37.4 0.4 15.0 3.1 114 126 A R H X S+ 0 0 91 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.883 106.1 53.4 -61.4 -34.2 -0.7 18.6 3.1 115 127 A K H X S+ 0 0 151 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.940 110.1 48.0 -66.9 -39.8 -4.1 17.6 4.3 116 128 A A H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.875 109.9 51.8 -65.5 -44.4 -2.5 15.7 7.1 117 129 A E H X S+ 0 0 17 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.928 107.5 53.4 -58.7 -41.6 -0.2 18.7 8.0 118 130 A A H X S+ 0 0 34 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 110.1 47.0 -57.4 -45.6 -3.3 21.0 8.1 119 131 A Q H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.922 111.8 50.0 -67.0 -43.2 -5.0 18.6 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.5 0.885 112.2 48.8 -58.9 -40.7 -1.8 18.4 12.7 121 133 A K H ><5S+ 0 0 95 -4,-2.9 3,-1.1 2,-0.2 -2,-0.2 0.902 108.7 52.3 -64.5 -44.1 -1.6 22.2 12.7 122 134 A K H 3<5S+ 0 0 147 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 111.8 47.3 -57.2 -39.5 -5.3 22.5 13.7 123 135 A E T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.555 106.9-130.5 -80.4 -5.0 -4.6 20.2 16.6 124 136 A K T < 5 + 0 0 149 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.880 43.8 178.8 53.9 42.1 -1.5 22.1 17.6 125 137 A L > < - 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