==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JUL-11 3SXH . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,I.CLARK,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) . 7520.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 68.2 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 73 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 165.0 2.5 35.0 -8.2 2 8 A H - 0 0 155 62,-0.4 62,-0.5 63,-0.1 2,-0.4 -0.979 360.0-132.5-129.8 133.8 3.4 31.5 -7.0 3 9 A K E -A 63 0A 92 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.683 27.4-170.9 -80.6 140.3 4.2 30.1 -3.7 4 10 A E E -A 62 0A 43 58,-2.7 58,-2.5 -2,-0.4 -2,-0.0 -0.946 25.6 -96.7-127.8 155.7 7.3 27.8 -3.6 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.240 44.5 157.2 -74.0 149.9 8.8 25.6 -0.9 6 12 A A E -A 60 0A 12 54,-1.6 54,-0.7 15,-0.1 2,-0.4 -0.963 27.1-137.7-154.6 164.6 11.5 26.6 1.5 7 13 A T E -D 20 0B 80 13,-1.8 13,-2.9 -2,-0.3 2,-0.3 -0.963 28.6-105.3-125.2 148.7 12.8 25.5 4.9 8 14 A L E +D 19 0B 53 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.534 35.4 169.3 -68.1 130.7 14.0 27.6 7.8 9 15 A I E - 0 0 71 9,-2.8 2,-0.3 -2,-0.3 10,-0.2 0.764 68.7 -25.5 -97.5 -54.6 17.7 27.6 8.4 10 16 A K E -D 18 0B 151 8,-1.9 8,-2.9 0, 0.0 -1,-0.3 -0.958 55.5-117.5-161.8 135.2 17.8 30.5 11.0 11 17 A A E +D 17 0B 23 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.414 31.5 174.0 -61.1 145.8 15.9 33.6 12.0 12 18 A I E - 0 0 85 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.579 50.9 -41.8-120.6 -69.1 18.0 36.8 11.5 13 19 A D E > S-D 16 0B 23 3,-2.1 3,-0.6 33,-0.1 -1,-0.5 -0.764 74.7 -62.3-149.4-164.4 15.9 39.9 12.2 14 20 A G T 3 S+ 0 0 1 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.805 130.7 19.9 -60.0 -32.4 12.5 41.5 11.7 15 21 A D T 3 S+ 0 0 3 21,-0.1 15,-2.8 20,-0.1 2,-0.4 0.243 116.6 65.1-125.1 13.2 12.7 41.6 7.9 16 22 A T E < +DE 13 29B 11 -3,-0.6 -3,-2.1 13,-0.2 -4,-1.1 -0.998 50.7 169.7-137.9 145.4 15.5 39.0 7.0 17 23 A V E -DE 11 28B 3 11,-2.0 11,-3.2 -2,-0.4 2,-0.6 -0.992 31.9-123.2-150.7 144.5 15.6 35.2 7.4 18 24 A K E +DE 10 27B 79 -8,-2.9 -9,-2.8 -2,-0.3 -8,-1.9 -0.843 40.0 170.3 -97.9 121.3 17.9 32.5 6.2 19 25 A L E -DE 8 26B 1 7,-2.7 7,-2.6 -2,-0.6 2,-0.6 -0.917 37.9-121.7-126.9 154.8 16.1 29.8 4.3 20 26 A M E +DE 7 25B 80 -13,-2.9 -13,-1.8 -2,-0.3 2,-0.4 -0.902 36.5 178.8 -98.8 120.8 16.9 26.8 2.2 21 27 A Y E > - E 0 24B 22 3,-2.6 3,-2.0 -2,-0.6 -15,-0.1 -0.994 68.9 -7.2-128.4 126.1 15.4 27.4 -1.2 22 28 A K T 3 S- 0 0 158 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.841 131.7 -57.9 49.6 39.5 15.9 24.8 -4.1 23 29 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.538 117.6 106.1 77.5 6.6 18.3 23.1 -1.8 24 30 A Q E < S-E 21 0B 126 -3,-2.0 -3,-2.6 -5,-0.0 2,-0.2 -0.940 72.6-113.8-123.0 141.5 20.6 26.1 -1.3 25 31 A P E +E 20 0B 77 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.537 43.5 168.6 -72.0 133.7 21.0 28.4 1.7 26 32 A M E -E 19 0B 43 -7,-2.6 -7,-2.7 -2,-0.2 2,-0.6 -0.998 36.2-128.7-143.3 145.2 19.9 32.0 1.1 27 33 A T E -E 18 0B 45 -2,-0.3 49,-2.5 47,-0.3 2,-0.4 -0.844 30.4-155.0 -85.8 128.3 19.3 35.1 3.1 28 34 A F E -Ef 17 76B 3 -11,-3.2 -11,-2.0 -2,-0.6 2,-0.5 -0.870 7.3-157.5-104.4 132.0 15.8 36.4 2.2 29 35 A R E -Ef 16 77B 22 47,-3.4 49,-1.4 -2,-0.4 2,-0.3 -0.952 29.1-117.5-101.7 127.9 14.9 40.1 2.6 30 36 A L E > - f 0 78B 5 -15,-2.8 3,-0.9 -2,-0.5 49,-0.2 -0.468 30.4-118.0 -71.9 129.2 11.2 40.6 2.9 31 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.345 84.8 7.6 -63.2 145.8 9.6 42.7 0.1 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.5 1,-0.2 2,-0.3 0.499 107.4 92.3 70.9 11.1 7.9 46.0 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.918 49.6-161.7-132.9 165.1 8.8 46.3 4.4 34 40 A D E -H 98 0C 57 64,-2.0 64,-2.4 -2,-0.3 3,-0.0 -0.947 9.8-170.1-145.9 118.4 11.3 47.8 6.8 35 41 A T - 0 0 3 -2,-0.3 62,-0.2 62,-0.2 -20,-0.1 -0.758 37.4 -94.8 -95.3 156.3 11.7 46.7 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.277 47.4-100.6 -64.2 148.3 13.9 48.7 12.9 37 43 A E > - 0 0 87 1,-0.1 3,-2.5 -24,-0.1 6,-0.3 -0.355 35.5-106.3 -67.8 150.7 17.4 47.4 13.3 38 50 A F T 3 S+ 0 0 131 1,-0.3 5,-0.1 5,-0.2 -1,-0.1 0.875 122.0 56.0 -49.7 -37.4 17.9 45.3 16.3 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.530 100.6 74.5 -72.3 -6.4 19.8 48.1 17.8 40 52 A E S X S- 0 0 101 -3,-2.5 3,-1.9 1,-0.1 2,-0.1 -0.546 99.5 -69.4-105.8 174.0 16.9 50.6 17.4 41 53 A K T 3 S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.372 122.1 8.3 -65.7 139.5 13.5 51.0 19.2 42 54 A Y T 3> S+ 0 0 46 -4,-0.1 4,-2.8 -2,-0.1 -1,-0.3 0.317 99.0 113.8 64.3 -2.2 11.1 48.1 18.4 43 55 A G H <> S+ 0 0 0 -3,-1.9 4,-2.7 -6,-0.3 -29,-0.2 0.939 76.6 44.4 -59.6 -51.8 14.0 46.3 16.7 44 56 A P H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 114.7 50.0 -62.2 -37.5 14.2 43.5 19.3 45 57 A E H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.897 111.1 48.8 -66.2 -41.4 10.4 43.2 19.2 46 58 A A H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.937 112.1 49.0 -62.7 -43.0 10.3 43.0 15.4 47 59 A S H X S+ 0 0 17 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.909 112.5 47.9 -60.8 -46.6 13.1 40.4 15.5 48 60 A A H X S+ 0 0 58 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.896 110.0 52.9 -65.3 -34.0 11.2 38.3 18.1 49 61 A F H X S+ 0 0 52 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.955 113.6 40.8 -66.5 -49.4 8.0 38.6 16.1 50 62 A T H X S+ 0 0 4 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.917 113.9 54.6 -67.3 -38.6 9.4 37.3 12.9 51 63 A K H X S+ 0 0 95 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.947 110.5 45.6 -59.5 -46.7 11.5 34.6 14.7 52 64 A K H X S+ 0 0 141 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.922 111.9 51.7 -64.0 -44.3 8.5 33.2 16.4 53 65 A M H X S+ 0 0 36 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.931 116.8 37.8 -61.1 -42.5 6.4 33.2 13.2 54 66 A V H < S+ 0 0 7 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.880 116.3 50.9 -80.1 -34.4 9.0 31.3 11.1 55 67 A E H < S+ 0 0 91 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.836 111.8 47.6 -70.1 -32.1 10.2 28.9 13.9 56 68 A N H < S+ 0 0 100 -4,-2.2 -1,-0.2 -5,-0.3 2,-0.2 0.591 89.4 108.3 -84.3 -9.2 6.6 27.9 14.8 57 69 A A < - 0 0 18 -4,-0.6 3,-0.2 -3,-0.4 -3,-0.0 -0.470 53.6-160.9 -71.8 138.3 5.6 27.3 11.2 58 70 A K S S+ 0 0 189 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.820 86.8 29.2 -74.3 -34.0 5.1 23.7 9.9 59 71 A K - 0 0 116 -52,-0.0 24,-2.9 2,-0.0 2,-0.4 -0.986 67.5-167.7-135.0 119.1 5.4 25.0 6.3 60 72 A I E -AB 6 82A 14 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.3 -0.893 12.5-179.4 -98.8 140.8 7.4 28.0 5.0 61 73 A E E -AB 5 81A 33 20,-2.1 20,-2.9 -2,-0.4 2,-0.4 -0.971 14.6-151.1-134.6 152.4 6.9 29.2 1.5 62 74 A V E -AB 4 80A 0 -58,-2.5 -58,-2.7 -2,-0.3 2,-0.4 -0.942 5.6-163.7-117.3 147.4 8.5 32.0 -0.5 63 75 A E E -AB 3 79A 9 16,-2.3 16,-2.8 -2,-0.4 -60,-0.2 -0.962 9.2-151.2-132.7 115.2 6.8 33.9 -3.3 64 76 A F - 0 0 10 -62,-0.5 -62,-0.4 -2,-0.4 14,-0.2 -0.455 14.4-134.4 -78.9 150.3 8.8 36.0 -5.8 65 77 A D - 0 0 5 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.201 35.8 -86.8 -88.5-163.0 7.2 39.0 -7.4 66 78 A K S S+ 0 0 171 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.539 105.1 43.6 -88.1 -13.1 7.5 39.9 -11.1 67 79 A G S S+ 0 0 35 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.153 106.1 1.6-111.8-139.6 10.8 41.8 -11.0 68 80 A Q - 0 0 143 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.271 46.4-170.0 -56.5 136.1 14.2 41.4 -9.3 69 81 A R S S+ 0 0 125 -3,-0.1 8,-2.2 1,-0.1 2,-0.3 0.570 73.4 38.7-103.1 -9.8 14.5 38.2 -7.3 70 82 A T B S-G 76 0B 76 6,-0.3 6,-0.2 -42,-0.1 2,-0.2 -0.960 74.1-139.2-136.4 147.8 17.8 39.2 -5.7 71 83 A D > - 0 0 33 4,-2.1 3,-2.2 -2,-0.3 -2,-0.0 -0.447 42.4 -86.2 -94.1-177.9 19.2 42.4 -4.4 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.623 128.3 53.8 -64.9 -14.7 22.6 43.9 -4.7 73 85 A Y T 3 S- 0 0 163 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.330 120.9-105.8 -98.9 5.0 23.8 42.0 -1.6 74 86 A G S < S+ 0 0 54 -3,-2.2 2,-0.3 1,-0.3 -47,-0.3 0.626 72.1 145.9 79.0 9.9 22.6 38.7 -3.1 75 87 A R - 0 0 67 -49,-0.1 -4,-2.1 -47,-0.1 -1,-0.3 -0.666 53.3-115.9 -76.1 138.8 19.6 38.5 -0.8 76 88 A G E -fG 28 70B 0 -49,-2.5 -47,-3.4 -2,-0.3 2,-0.6 -0.496 23.5-145.0 -62.7 145.0 16.5 36.9 -2.1 77 89 A L E +f 29 0B 26 -8,-2.2 -12,-0.5 -49,-0.2 2,-0.3 -0.950 42.9 127.4-116.4 114.1 13.5 39.3 -2.4 78 90 A A E -f 30 0B 2 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.973 62.2-101.9-154.8 166.2 10.3 37.6 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.8 -16,-2.3 -2,-0.3 2,-0.4 -0.883 43.0-149.5 -88.3 129.6 7.0 37.4 0.2 80 92 A A E -B 62 0A 5 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.859 9.4-161.1-108.3 139.1 7.4 34.8 3.0 81 93 A Y E -BC 61 86A 16 -20,-2.9 -20,-2.1 -2,-0.4 2,-0.6 -0.966 8.6-162.9-120.6 137.4 4.5 32.7 4.3 82 94 A A E > S-BC 60 85A 6 3,-2.7 3,-2.0 -2,-0.4 -22,-0.2 -0.971 84.8 -24.2-117.8 110.9 4.3 30.7 7.5 83 95 A D T 3 S- 0 0 79 -24,-2.9 -1,-0.1 -2,-0.6 -23,-0.1 0.910 129.4 -49.5 49.3 45.7 1.5 28.2 7.4 84 96 A G T 3 S+ 0 0 46 -25,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.355 114.7 115.6 85.3 -11.7 -0.2 30.3 4.8 85 97 A K E < -C 82 0A 151 -3,-2.0 -3,-2.7 4,-0.0 2,-0.4 -0.852 69.2-120.9 -96.8 126.8 0.0 33.6 6.6 86 98 A M E > -C 81 0A 8 -2,-0.5 4,-2.2 -5,-0.2 -5,-0.3 -0.515 14.9-158.3 -68.5 123.7 2.2 36.3 5.0 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.6 -2,-0.4 5,-0.3 0.909 91.6 55.6 -65.9 -43.5 5.0 37.4 7.3 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.944 113.1 41.4 -57.8 -48.9 5.5 40.7 5.5 89 101 A E H > S+ 0 0 63 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.888 112.7 53.8 -62.3 -46.8 1.8 41.6 6.1 90 102 A A H X S+ 0 0 23 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.917 107.5 49.9 -62.7 -35.7 1.7 40.3 9.6 91 103 A A H <>S+ 0 0 2 -4,-2.6 5,-2.4 1,-0.2 6,-0.8 0.921 113.9 46.1 -70.6 -39.0 4.7 42.4 10.7 92 104 A V H ><5S+ 0 0 0 -4,-1.8 3,-2.0 -5,-0.3 -2,-0.2 0.936 109.6 55.3 -64.7 -42.9 3.1 45.5 9.2 93 105 A R H 3<5S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.3 49.7 -64.9 -27.6 -0.3 44.7 10.8 94 106 A Q T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.369 116.0-112.7 -92.6 9.3 1.3 44.5 14.2 95 107 A G T < 5S+ 0 0 0 -3,-2.0 32,-2.5 2,-0.2 -3,-0.2 0.758 89.0 112.3 68.4 28.7 3.0 47.9 13.8 96 108 A L S - 0 0 154 -2,-1.2 3,-2.2 3,-0.4 -3,-0.0 -0.800 34.7 -99.4 -92.7 142.0 10.1 49.6 -6.3 104 116 A K T 3 S+ 0 0 207 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.225 107.6 19.3 -61.8 135.5 8.0 49.6 -9.5 105 117 A G T 3 S+ 0 0 37 -38,-0.1 -1,-0.3 1,-0.1 -39,-0.2 0.475 115.2 68.0 79.8 -5.2 7.4 46.0 -10.8 106 118 A N S < S+ 0 0 11 -3,-2.2 -3,-0.4 -40,-0.2 -74,-0.1 -0.336 76.9 92.2-126.0 58.0 8.1 44.3 -7.5 107 119 A N > + 0 0 54 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 0.067 32.9 131.5-140.2 32.5 5.0 45.7 -5.8 108 120 A T T 3 S+ 0 0 75 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.856 82.4 40.2 -52.3 -45.7 2.2 43.2 -6.3 109 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 0.205 80.9 112.9 -94.9 20.9 1.2 43.2 -2.6 110 122 A E H <> S+ 0 0 36 -3,-1.9 4,-2.8 1,-0.2 5,-0.2 0.922 78.5 45.0 -59.3 -50.9 1.6 47.0 -2.0 111 123 A Q H > S+ 0 0 128 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.921 110.4 54.0 -64.7 -37.9 -2.0 47.8 -1.4 112 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.933 113.5 44.0 -57.4 -43.7 -2.6 44.8 0.8 113 125 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 109.4 54.3 -75.7 -30.5 0.3 45.9 3.0 114 126 A R H X S+ 0 0 94 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.874 107.0 53.0 -67.6 -34.8 -0.7 49.6 3.0 115 127 A K H X S+ 0 0 133 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.941 109.1 49.5 -65.5 -38.6 -4.2 48.5 4.3 116 128 A A H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.897 109.8 51.0 -66.1 -39.4 -2.5 46.6 7.1 117 129 A E H X S+ 0 0 27 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.898 106.8 53.7 -63.6 -41.8 -0.3 49.6 8.0 118 130 A A H X S+ 0 0 58 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.907 110.1 48.5 -59.8 -42.1 -3.4 51.9 8.1 119 131 A Q H X S+ 0 0 71 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.938 111.2 48.6 -63.8 -46.6 -5.0 49.5 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 -2,-0.2 0.895 112.8 49.1 -59.9 -39.1 -1.9 49.3 12.8 121 133 A K H ><5S+ 0 0 92 -4,-2.6 3,-1.3 2,-0.2 -1,-0.2 0.903 108.0 52.3 -67.2 -44.0 -1.6 53.1 12.8 122 134 A K H 3<5S+ 0 0 180 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.876 111.9 48.6 -59.6 -32.6 -5.4 53.5 13.7 123 135 A E T 3<5S- 0 0 101 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.485 108.1-130.1 -85.6 -4.7 -4.7 51.1 16.6 124 136 A K T < 5 + 0 0 136 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.868 43.6 177.6 58.8 41.2 -1.6 53.1 17.6 125 137 A L > < - 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