==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-12 4EQP . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,A.HEROUX,B.GARCIA-MORENO E. . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7189.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 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 . 32 24.8 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 1.6 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 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 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 81 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 161.8 2.5 -39.8 -8.2 2 8 A H - 0 0 112 62,-0.4 62,-0.5 63,-0.1 2,-0.3 -0.984 360.0-123.3-140.8 145.1 3.2 -43.2 -6.8 3 9 A K E -A 63 0A 86 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.645 28.3-168.6 -81.1 139.2 4.3 -44.6 -3.5 4 10 A E E -A 62 0A 22 58,-2.6 58,-2.5 -2,-0.3 2,-0.0 -0.941 26.4 -96.0-124.7 154.3 7.4 -46.9 -3.6 5 11 A P E +A 61 0A 108 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.288 45.3 157.8 -71.6 152.6 8.8 -49.2 -0.9 6 12 A A E -AB 60 21A 13 54,-1.4 54,-0.6 15,-0.1 2,-0.4 -0.963 28.0-137.5-157.0 161.4 11.6 -48.3 1.5 7 13 A T E - B 0 20A 88 13,-1.7 13,-3.0 -2,-0.3 2,-0.3 -0.974 29.2-107.6-120.5 147.1 12.8 -49.4 4.8 8 14 A L E + B 0 19A 49 -2,-0.4 11,-0.3 11,-0.2 3,-0.1 -0.489 33.6 171.7 -67.4 135.6 14.0 -47.2 7.7 9 15 A I E - 0 0 70 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.796 68.9 -29.2-100.4 -55.8 17.7 -47.2 8.3 10 16 A K E - B 0 18A 105 8,-2.0 8,-2.9 44,-0.0 -1,-0.2 -0.922 52.8-117.1-164.1 140.9 17.7 -44.3 10.9 11 17 A A E + B 0 17A 26 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.455 30.9 176.3 -64.3 141.4 15.8 -41.3 11.8 12 18 A I - 0 0 73 4,-1.3 2,-0.2 1,-0.5 5,-0.2 0.648 52.3 -41.2-115.7 -64.4 18.0 -38.2 11.6 13 19 A D S S- 0 0 22 3,-2.0 3,-0.5 33,-0.1 -1,-0.5 -0.757 77.6 -60.9-150.4-162.2 16.0 -35.0 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.826 130.7 19.7 -60.8 -35.2 12.7 -33.4 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.7 20,-0.1 2,-0.4 0.272 115.1 68.1-125.2 16.8 12.9 -33.3 7.9 16 22 A T E + C 0 29A 11 -3,-0.5 -3,-2.0 13,-0.2 -4,-1.3 -0.997 50.8 169.4-136.6 141.3 15.6 -35.8 7.1 17 23 A V E -BC 11 28A 0 11,-2.1 11,-3.2 -2,-0.4 2,-0.6 -0.998 30.6-127.1-148.6 142.7 15.6 -39.6 7.4 18 24 A K E +BC 10 27A 62 -8,-2.9 -9,-2.8 -2,-0.3 -8,-2.0 -0.844 37.9 170.3 -94.6 121.1 17.9 -42.3 6.1 19 25 A L E -BC 8 26A 0 7,-2.7 7,-2.6 -2,-0.6 2,-0.6 -0.922 38.4-120.1-126.2 155.9 16.0 -45.0 4.2 20 26 A M E +BC 7 25A 71 -13,-3.0 -13,-1.7 -2,-0.3 2,-0.4 -0.881 37.8 180.0 -92.9 120.6 16.9 -48.0 2.1 21 27 A Y E > -BC 6 24A 20 3,-2.6 3,-2.1 -2,-0.6 -15,-0.1 -0.987 69.0 -8.9-129.2 124.5 15.4 -47.4 -1.3 22 28 A K T 3 S- 0 0 154 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.831 131.7 -57.5 50.3 39.2 15.8 -49.9 -4.2 23 29 A G T 3 S+ 0 0 50 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.507 118.1 105.7 75.6 10.4 18.3 -51.7 -1.9 24 30 A Q E < S-C 21 0A 130 -3,-2.1 -3,-2.6 -5,-0.0 2,-0.3 -0.929 72.9-114.6-123.0 142.9 20.6 -48.7 -1.4 25 31 A P E +C 20 0A 71 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.570 42.5 169.0 -73.5 138.5 21.0 -46.4 1.6 26 32 A M E -C 19 0A 43 -7,-2.6 -7,-2.7 -2,-0.3 2,-0.6 -0.999 35.4-128.8-148.2 141.7 20.0 -42.8 1.0 27 33 A T E -C 18 0A 47 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.812 30.2-155.4 -83.2 125.7 19.3 -39.7 3.0 28 34 A F E -Cd 17 76A 0 -11,-3.2 -11,-2.1 -2,-0.6 2,-0.5 -0.879 7.9-157.0-103.2 134.5 15.9 -38.2 2.2 29 35 A R E -Cd 16 77A 21 47,-3.3 49,-1.4 -2,-0.4 -13,-0.2 -0.947 29.9-116.7-101.9 128.9 15.0 -34.6 2.7 30 36 A L E > - d 0 78A 2 -15,-2.7 3,-0.9 -2,-0.5 49,-0.2 -0.424 30.6-118.7 -72.4 128.8 11.3 -34.1 3.0 31 37 A L T 3 S+ 0 0 12 47,-2.3 49,-0.1 1,-0.2 -1,-0.1 -0.371 84.4 8.0 -64.3 144.8 9.7 -32.0 0.2 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.481 107.1 91.7 71.9 13.3 7.9 -28.7 0.9 33 39 A V E < -H 99 0B 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.893 50.8-160.1-135.9 163.9 8.8 -28.4 4.5 34 40 A D E -H 98 0B 57 64,-1.8 64,-2.1 -2,-0.3 3,-0.0 -0.928 11.5-169.8-141.8 112.7 11.3 -26.9 6.9 35 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.748 37.1 -96.7 -88.2 157.9 11.7 -28.1 10.5 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.307 47.2-100.2 -64.7 149.6 13.8 -26.2 13.0 37 43 A E > - 0 0 88 1,-0.1 3,-2.6 -24,-0.1 6,-0.3 -0.343 37.6-102.6 -64.5 154.8 17.4 -27.6 13.4 38 50 A F T 3 S+ 0 0 134 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.854 123.2 54.7 -50.9 -35.8 17.9 -29.8 16.4 39 51 A N T 3 S+ 0 0 140 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.476 100.5 77.8 -79.1 4.4 19.6 -26.9 18.2 40 52 A E S X S- 0 0 99 -3,-2.6 3,-2.3 1,-0.1 2,-0.0 -0.625 98.6 -72.0-112.1 165.6 16.7 -24.5 17.7 41 53 A K T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.340 121.8 8.7 -59.1 135.5 13.3 -24.1 19.4 42 54 A Y T 3> S+ 0 0 40 -4,-0.1 4,-2.7 -7,-0.1 -1,-0.3 0.350 98.3 112.8 72.8 -5.2 11.0 -27.1 18.4 43 55 A G H <> S+ 0 0 0 -3,-2.3 4,-2.8 -6,-0.3 -5,-0.2 0.944 78.1 43.9 -61.2 -50.6 13.9 -28.8 16.8 44 56 A P H > S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.902 114.9 50.5 -62.5 -36.4 14.0 -31.7 19.3 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.922 111.4 48.1 -70.4 -38.1 10.2 -32.0 19.2 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.938 112.3 49.3 -65.2 -44.3 10.2 -32.1 15.3 47 59 A S H X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.906 112.3 47.6 -59.7 -43.6 13.0 -34.7 15.4 48 60 A A H X S+ 0 0 60 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.880 110.6 52.0 -66.8 -35.0 11.1 -36.8 17.9 49 61 A F H X S+ 0 0 55 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.946 112.7 43.4 -66.9 -47.9 7.8 -36.5 15.9 50 62 A T H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.941 113.5 52.9 -62.9 -43.0 9.4 -37.7 12.6 51 63 A K H X S+ 0 0 94 -4,-2.5 4,-2.4 -5,-0.3 5,-0.3 0.914 108.5 49.0 -61.2 -46.4 11.3 -40.5 14.4 52 64 A K H X S+ 0 0 134 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.934 112.0 49.1 -60.2 -44.6 8.2 -41.9 16.1 53 65 A M H X S+ 0 0 29 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.948 116.4 39.1 -59.3 -49.3 6.3 -41.9 12.9 54 66 A V H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -46,-0.2 0.797 119.6 46.0 -78.2 -27.5 8.9 -43.6 10.7 55 67 A E H < S+ 0 0 88 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.854 113.5 47.0 -78.0 -41.2 10.0 -46.1 13.5 56 68 A N H < S+ 0 0 98 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.1 0.730 91.5 102.0 -80.5 -16.5 6.6 -47.2 14.6 57 69 A A < - 0 0 16 -4,-1.1 3,-0.2 -5,-0.3 -4,-0.0 -0.390 62.7-149.7 -66.8 146.0 5.2 -47.7 11.1 58 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.792 89.9 28.2 -74.7 -33.8 4.9 -51.2 9.7 59 71 A K - 0 0 119 -52,-0.0 24,-3.0 2,-0.0 25,-0.4 -0.971 66.4-169.7-137.3 113.8 5.4 -49.8 6.2 60 72 A D E -AE 6 82A 13 -54,-0.6 -54,-1.4 -2,-0.4 2,-0.3 -0.834 14.9-173.4 -98.6 146.9 7.4 -46.8 5.2 61 73 A E E -AE 5 81A 30 20,-2.3 20,-2.7 -2,-0.4 2,-0.4 -0.974 17.3-141.9-138.2 154.8 7.1 -45.5 1.6 62 74 A V E -AE 4 80A 0 -58,-2.5 -58,-2.6 -2,-0.3 2,-0.4 -0.934 11.3-169.5-112.1 140.5 8.7 -42.9 -0.6 63 75 A E E -AE 3 79A 7 16,-2.4 16,-2.9 -2,-0.4 -60,-0.2 -0.949 9.9-155.5-133.5 111.3 6.8 -40.8 -3.2 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.451 13.0-132.9 -76.7 151.4 8.8 -38.7 -5.6 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.185 36.3 -87.7 -86.0-163.4 7.3 -35.7 -7.3 66 78 A K S S+ 0 0 171 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.536 104.4 46.2 -86.2 -17.1 7.5 -34.9 -11.0 67 79 A G S S- 0 0 25 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.128 105.0 -1.9-103.9-141.9 10.8 -33.0 -10.9 68 80 A Q - 0 0 125 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.279 46.8-165.2 -57.9 132.7 14.2 -33.4 -9.4 69 81 A R S S+ 0 0 116 -3,-0.1 8,-2.2 -5,-0.1 2,-0.3 0.510 73.2 35.1 -97.4 -12.0 14.6 -36.5 -7.2 70 82 A T B S-F 76 0A 78 6,-0.3 6,-0.2 -42,-0.1 2,-0.2 -0.967 74.2-135.2-139.1 152.8 17.8 -35.5 -5.5 71 83 A D > - 0 0 34 4,-2.1 3,-2.2 -2,-0.3 -2,-0.0 -0.437 43.3 -83.8 -95.5-174.3 19.2 -32.2 -4.3 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.615 128.4 53.9 -68.2 -17.3 22.7 -30.7 -4.7 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.407 120.4-105.2 -95.6 2.7 23.9 -32.6 -1.6 74 86 A G S < S+ 0 0 52 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.568 73.0 144.5 83.6 7.1 22.8 -36.0 -3.0 75 87 A R - 0 0 67 -49,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.621 53.8-115.5 -77.7 140.0 19.7 -36.2 -0.7 76 88 A G E -dF 28 70A 0 -49,-2.5 -47,-3.3 -2,-0.3 2,-0.5 -0.463 23.3-144.1 -62.7 145.5 16.6 -37.8 -2.1 77 89 A L E +d 29 0A 27 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.964 43.0 125.4-115.9 114.4 13.6 -35.4 -2.3 78 90 A A E -d 30 0A 0 -49,-1.4 -47,-2.3 -2,-0.5 2,-0.5 -0.967 62.7-100.4-157.0 166.3 10.3 -37.0 -1.6 79 91 A Y E -E 63 0A 0 -16,-2.9 -16,-2.4 -2,-0.3 2,-0.5 -0.873 42.7-149.2 -88.3 132.1 7.1 -37.3 0.3 80 92 A I E -E 62 0A 1 -2,-0.5 7,-3.1 -18,-0.2 8,-0.6 -0.914 9.8-162.2-110.9 133.5 7.5 -39.9 3.0 81 93 A Y E -EG 61 86A 16 -20,-2.7 -20,-2.3 -2,-0.5 2,-0.5 -0.922 8.6-163.0-115.5 142.4 4.6 -42.0 4.2 82 94 A A E > S-EG 60 85A 8 3,-2.6 3,-2.1 -2,-0.4 -22,-0.2 -0.986 84.6 -23.2-124.5 110.7 4.4 -44.1 7.4 83 95 A D T 3 S- 0 0 89 -24,-3.0 -23,-0.1 -2,-0.5 -1,-0.1 0.894 129.8 -50.0 46.1 46.5 1.5 -46.6 7.3 84 96 A G T 3 S+ 0 0 48 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.369 114.5 116.3 85.7 -7.0 -0.1 -44.4 4.7 85 97 A K E < -G 82 0A 112 -3,-2.1 -3,-2.6 -32,-0.1 2,-0.5 -0.848 67.9-123.0 -98.8 127.4 0.1 -41.1 6.6 86 98 A M E > -G 81 0A 7 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.576 13.6-158.2 -73.5 121.1 2.3 -38.5 5.0 87 99 A V H > S+ 0 0 0 -7,-3.1 4,-2.6 -2,-0.5 5,-0.3 0.907 91.8 57.0 -61.0 -44.6 5.1 -37.3 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.930 112.0 40.6 -55.7 -50.9 5.5 -34.0 5.6 89 101 A E H > S+ 0 0 57 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 112.4 55.3 -62.5 -43.8 1.8 -33.1 6.1 90 102 A A H X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.909 106.5 50.4 -62.6 -40.0 1.7 -34.4 9.6 91 103 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 6,-0.8 0.934 113.2 46.5 -60.5 -46.8 4.7 -32.2 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 -2,-0.2 0.934 109.9 53.3 -62.5 -43.7 3.0 -29.1 9.2 93 105 A R H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.809 109.2 49.7 -65.3 -27.0 -0.3 -29.9 10.7 94 106 A Q T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.346 115.0-113.4 -90.4 4.1 1.3 -30.1 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.8 32,-2.5 2,-0.2 -3,-0.2 0.786 86.9 116.2 67.5 28.7 3.1 -26.9 13.8 96 108 A L S - 0 0 155 -2,-1.1 3,-2.1 3,-0.4 -3,-0.0 -0.834 34.8-102.0 -95.5 141.9 10.1 -25.1 -6.2 104 116 A K T 3 S+ 0 0 191 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.236 106.9 25.4 -67.2 137.2 8.0 -25.2 -9.3 105 117 A G T 3 S+ 0 0 38 -38,-0.1 -39,-0.3 1,-0.1 -1,-0.3 0.416 115.5 62.9 86.1 -9.3 7.6 -28.7 -10.7 106 118 A N S < S+ 0 0 8 -3,-2.1 -3,-0.4 -40,-0.2 -74,-0.1 -0.364 78.9 94.4-127.4 62.8 8.1 -30.5 -7.3 107 119 A N > + 0 0 56 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.065 32.7 128.6-136.6 27.8 5.1 -29.0 -5.7 108 120 A T T 3 S+ 0 0 71 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.872 82.3 40.4 -54.7 -42.6 2.2 -31.4 -6.2 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.219 81.7 112.1 -92.6 15.9 1.2 -31.4 -2.5 110 122 A E H <> S+ 0 0 35 -3,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.927 78.5 44.1 -57.8 -48.4 1.7 -27.7 -1.9 111 123 A Q H > S+ 0 0 128 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.908 110.5 54.8 -72.6 -30.8 -1.9 -26.8 -1.3 112 124 A L H > S+ 0 0 73 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 113.4 44.3 -58.5 -44.9 -2.6 -29.9 0.9 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 109.1 54.3 -72.7 -36.3 0.3 -28.7 3.1 114 126 A R H X S+ 0 0 94 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.893 106.9 52.9 -64.0 -35.3 -0.7 -25.1 3.1 115 127 A K H X S+ 0 0 134 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.928 109.0 49.8 -64.8 -40.5 -4.2 -26.1 4.3 116 128 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.890 110.0 50.7 -61.6 -41.8 -2.5 -28.0 7.2 117 129 A E H X S+ 0 0 26 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.904 107.0 52.8 -65.6 -40.8 -0.4 -25.0 8.0 118 130 A A H X S+ 0 0 40 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.906 110.7 49.2 -61.1 -40.8 -3.4 -22.7 8.2 119 131 A Q H X S+ 0 0 72 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 111.6 47.5 -64.1 -43.7 -5.0 -25.2 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.3 0.888 113.2 49.1 -62.1 -39.0 -1.9 -25.3 12.8 121 133 A K H ><5S+ 0 0 94 -4,-2.7 3,-1.1 2,-0.2 -1,-0.2 0.904 108.9 51.5 -68.9 -41.9 -1.6 -21.6 12.8 122 134 A K H 3<5S+ 0 0 162 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.903 113.2 47.2 -60.9 -35.2 -5.3 -21.1 13.7 123 135 A E T 3<5S- 0 0 103 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.523 107.6-131.1 -84.7 -1.5 -4.8 -23.5 16.6 124 136 A K T < 5 + 0 0 135 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.872 42.4 177.3 54.7 41.6 -1.6 -21.7 17.6 125 137 A L > < - 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