==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-OCT-12 4HMI . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.C.ROBINSON,J.L.SCHLESSMAN,B.GARCIA-MORENO E.,M.BENNING . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 66.2 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 . 30 23.1 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 . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.5 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 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 2 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 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 6 A K 0 0 205 0, 0.0 2,-0.2 0, 0.0 108,-0.0 0.000 360.0 360.0 360.0 129.5 -0.6 -0.0 -10.3 2 7 A L - 0 0 32 62,-0.0 2,-0.4 107,-0.0 64,-0.1 -0.629 360.0-134.0-100.4 164.8 2.4 -1.0 -8.1 3 8 A H - 0 0 143 62,-0.3 62,-0.5 -2,-0.2 2,-0.3 -0.956 7.7-129.9-124.9 139.4 3.2 -4.5 -6.8 4 9 A K - 0 0 99 -2,-0.4 60,-0.2 60,-0.1 77,-0.1 -0.627 27.6-170.7 -85.9 138.0 4.1 -5.9 -3.4 5 10 A E E -A 63 0A 42 58,-2.2 58,-2.9 -2,-0.3 2,-0.0 -0.965 24.2-100.9-127.4 152.9 7.2 -8.1 -3.4 6 11 A P E +A 62 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.246 43.1 155.5 -73.9 157.6 8.6 -10.3 -0.6 7 12 A A E -A 61 0A 13 54,-1.5 54,-0.6 15,-0.1 2,-0.3 -0.945 27.7-136.6-161.9 164.4 11.5 -9.4 1.7 8 13 A T E -D 21 0B 83 13,-1.5 13,-3.3 -2,-0.3 2,-0.2 -0.960 30.3 -99.6-127.7 152.9 12.7 -10.5 5.2 9 14 A L E +D 20 0B 55 -2,-0.3 11,-0.3 11,-0.2 3,-0.1 -0.459 36.0 168.9 -66.6 133.1 14.1 -8.3 8.0 10 15 A I E - 0 0 75 9,-2.8 2,-0.3 1,-0.2 10,-0.2 0.758 69.1 -29.6 -98.9 -53.9 17.8 -8.2 8.5 11 16 A K E -D 19 0B 118 8,-1.7 8,-3.0 0, 0.0 -1,-0.2 -0.965 53.3-115.0-163.7 140.3 17.9 -5.3 11.0 12 17 A A E +D 18 0B 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.417 31.4 175.6 -64.8 141.6 16.1 -2.1 12.1 13 18 A I - 0 0 78 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.609 50.6 -47.5-115.0 -71.1 18.2 1.0 11.5 14 19 A D S S- 0 0 23 3,-1.8 3,-0.5 33,-0.1 -1,-0.5 -0.730 75.9 -57.0-147.2-158.9 16.3 4.2 12.4 15 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.851 131.2 18.9 -60.1 -36.6 12.8 5.9 11.7 16 21 A D S S+ 0 0 5 21,-0.1 15,-2.4 20,-0.1 2,-0.3 0.326 116.2 63.7-125.0 15.5 13.1 5.9 8.0 17 22 A T E + E 0 30B 13 -3,-0.5 -3,-1.8 13,-0.2 -4,-1.1 -0.989 51.0 170.8-133.7 150.8 15.7 3.3 7.0 18 23 A V E -DE 12 29B 2 11,-1.9 11,-3.5 -2,-0.3 2,-0.6 -0.989 31.7-122.5-153.2 149.7 15.8 -0.5 7.5 19 24 A K E +DE 11 28B 60 -8,-3.0 -9,-2.8 -2,-0.3 -8,-1.7 -0.865 40.0 168.8 -98.5 118.7 18.0 -3.4 6.4 20 25 A L E -DE 9 27B 0 7,-2.6 7,-2.1 -2,-0.6 2,-0.6 -0.917 38.6-120.1-124.3 158.2 16.1 -6.1 4.5 21 26 A M E -DE 8 26B 82 -13,-3.3 -13,-1.5 -2,-0.3 2,-0.4 -0.885 37.2-179.9 -95.4 120.3 17.0 -9.1 2.4 22 27 A Y E > - E 0 25B 22 3,-2.8 3,-1.7 -2,-0.6 -15,-0.1 -0.990 67.6 -9.7-128.6 127.0 15.4 -8.6 -1.0 23 28 A K T 3 S- 0 0 161 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.863 132.0 -55.8 47.2 39.1 15.8 -11.1 -3.9 24 29 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.506 118.4 105.1 84.4 0.7 18.3 -12.9 -1.6 25 30 A Q E < S-E 22 0B 125 -3,-1.7 -3,-2.8 -5,-0.0 -1,-0.2 -0.931 72.6-115.5-120.4 136.5 20.6 -9.8 -1.1 26 31 A P E +E 21 0B 78 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.466 43.6 169.1 -67.6 138.6 21.0 -7.5 1.9 27 32 A M E -E 20 0B 41 -7,-2.1 -7,-2.6 -2,-0.2 2,-0.5 -0.986 35.0-128.8-151.5 139.8 20.0 -4.0 1.1 28 33 A T E -E 19 0B 36 -2,-0.3 49,-2.3 47,-0.3 2,-0.4 -0.849 30.0-154.3 -89.8 129.0 19.4 -0.8 3.1 29 34 A F E -Ef 18 77B 0 -11,-3.5 -11,-1.9 -2,-0.5 2,-0.4 -0.855 8.4-156.9-104.6 135.2 15.9 0.7 2.3 30 35 A R E -Ef 17 78B 22 47,-3.5 49,-1.4 -2,-0.4 2,-0.3 -0.964 29.2-116.8-106.6 131.2 14.9 4.3 2.6 31 36 A L E > - f 0 79B 3 -15,-2.4 3,-0.9 -2,-0.4 49,-0.2 -0.459 31.3-119.3 -71.8 125.7 11.1 4.9 3.0 32 37 A L T 3 S+ 0 0 11 47,-2.3 49,-0.1 -2,-0.3 -1,-0.1 -0.367 84.0 7.8 -56.3 145.6 9.7 7.0 0.1 33 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.2 2,-0.3 0.449 107.0 90.6 70.6 11.4 8.0 10.3 0.7 34 39 A V E < -H 100 0C 0 -3,-0.9 2,-0.3 66,-0.3 66,-0.2 -0.891 51.4-157.3-133.7 166.2 8.8 10.8 4.4 35 40 A D E -H 99 0C 54 64,-1.8 64,-2.0 -2,-0.3 3,-0.1 -0.907 9.8-168.5-142.0 115.7 11.4 12.3 6.7 36 41 A T - 0 0 1 -2,-0.3 62,-0.2 62,-0.2 8,-0.1 -0.664 37.2 -97.1 -89.1 154.9 11.8 11.2 10.3 37 42 A P - 0 0 16 0, 0.0 -22,-0.3 0, 0.0 -21,-0.1 -0.317 48.6-100.8 -62.9 151.4 14.0 13.2 12.8 38 43 A E > - 0 0 88 1,-0.1 3,-2.7 -24,-0.1 6,-0.3 -0.418 37.5-102.7 -72.0 157.9 17.6 11.8 13.1 39 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.834 124.2 56.1 -52.2 -32.2 18.1 9.7 16.2 40 51 A N T 3 S+ 0 0 140 4,-0.2 -1,-0.3 3,-0.1 2,-0.2 0.524 100.1 76.8 -79.3 -7.4 19.9 12.6 17.7 41 52 A E S X S- 0 0 98 -3,-2.7 3,-2.0 1,-0.1 2,-0.1 -0.513 99.2 -70.3-101.5 169.9 16.9 15.0 17.2 42 53 A K T 3 S+ 0 0 158 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.416 123.1 8.0 -59.6 131.8 13.6 15.6 19.0 43 54 A Y T 3> S+ 0 0 38 -2,-0.1 4,-2.3 -4,-0.1 -1,-0.3 0.408 98.4 113.8 68.6 -0.9 11.3 12.6 18.3 44 55 A G H <> S+ 0 0 0 -3,-2.0 4,-2.4 -6,-0.3 5,-0.2 0.954 77.2 45.6 -61.0 -54.0 14.2 10.7 16.6 45 56 A P H > S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 113.4 49.7 -55.6 -43.7 14.3 8.1 19.3 46 57 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.882 111.2 49.6 -66.0 -37.3 10.5 7.6 19.2 47 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.924 112.0 47.5 -62.7 -47.9 10.5 7.3 15.4 48 59 A S H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.930 112.8 49.7 -60.1 -45.1 13.3 4.7 15.5 49 60 A A H X S+ 0 0 55 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.921 110.3 51.0 -59.3 -43.8 11.4 2.8 18.2 50 61 A F H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.913 113.2 42.6 -60.0 -52.5 8.2 2.9 16.2 51 62 A T H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.893 114.0 52.9 -60.8 -41.6 9.7 1.5 13.0 52 63 A K H X S+ 0 0 97 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.931 111.2 45.6 -61.9 -51.2 11.7 -1.1 14.9 53 64 A K H X S+ 0 0 139 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.938 112.7 51.5 -57.6 -44.7 8.7 -2.4 16.7 54 65 A M H X S+ 0 0 32 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.927 116.6 37.6 -63.5 -45.4 6.7 -2.5 13.5 55 66 A V H < S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.849 114.8 52.5 -77.2 -33.5 9.2 -4.4 11.5 56 67 A E H < S+ 0 0 95 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.782 112.0 46.4 -73.9 -26.3 10.4 -6.8 14.3 57 68 A N H < S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.631 89.5 106.3 -88.5 -17.7 6.8 -7.8 15.1 58 69 A A < - 0 0 21 -4,-0.8 3,-0.2 -3,-0.2 -3,-0.0 -0.357 52.0-162.5 -63.5 140.6 5.7 -8.4 11.5 59 70 A K S S+ 0 0 166 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.742 84.9 33.7 -90.1 -22.0 5.3 -12.0 10.2 60 71 A K - 0 0 107 -52,-0.0 24,-2.8 2,-0.0 25,-0.4 -0.949 67.0-169.8-140.9 115.5 5.4 -10.7 6.6 61 72 A I E -AB 7 83A 12 -54,-0.6 -54,-1.5 -2,-0.4 2,-0.4 -0.861 11.0-172.6-100.8 138.2 7.4 -7.8 5.2 62 73 A E E -AB 6 82A 28 20,-2.1 20,-2.8 -2,-0.4 2,-0.4 -0.974 14.0-147.7-132.7 150.1 6.8 -6.6 1.7 63 74 A V E -AB 5 81A 0 -58,-2.9 -58,-2.2 -2,-0.4 2,-0.4 -0.937 10.3-170.6-114.5 134.6 8.6 -4.1 -0.5 64 75 A E E - B 0 80A 13 16,-2.3 16,-3.0 -2,-0.4 -60,-0.1 -0.941 8.6-156.9-130.8 112.4 6.7 -2.0 -3.1 65 76 A F - 0 0 11 -62,-0.5 -62,-0.3 -2,-0.4 14,-0.2 -0.456 13.4-134.6 -83.6 154.7 8.7 0.1 -5.6 66 77 A D - 0 0 6 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.145 36.4 -85.0 -92.4-163.4 7.2 3.1 -7.2 67 78 A K S S+ 0 0 145 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.565 104.7 44.2 -79.2 -15.2 7.4 4.0 -11.0 68 79 A G S S- 0 0 32 1,-0.3 39,-0.1 38,-0.1 38,-0.1 0.169 105.3 -1.4-116.5-147.7 10.7 5.8 -10.9 69 80 A Q - 0 0 100 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.237 47.3-169.1 -50.9 133.3 14.2 5.4 -9.4 70 81 A R S S+ 0 0 127 1,-0.2 8,-2.5 -3,-0.1 2,-0.4 0.553 73.0 40.4-103.9 -14.1 14.5 2.3 -7.2 71 82 A T B S-G 77 0B 75 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.992 76.7-139.2-132.6 142.3 17.8 3.2 -5.6 72 83 A D > - 0 0 21 4,-2.7 3,-2.3 -2,-0.4 -2,-0.0 -0.344 41.3 -84.7 -90.8-176.1 19.1 6.5 -4.4 73 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.596 129.0 53.4 -63.6 -12.2 22.5 8.1 -4.8 74 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.326 121.4-105.0-104.0 2.4 23.8 6.2 -1.7 75 86 A G S < S+ 0 0 54 -3,-2.3 2,-0.3 1,-0.3 -47,-0.3 0.605 73.1 145.3 84.0 6.7 22.7 2.8 -3.0 76 87 A R - 0 0 67 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.679 53.9-117.3 -74.7 138.5 19.6 2.7 -0.7 77 88 A G E -fG 29 71B 0 -49,-2.3 -47,-3.5 -2,-0.3 2,-0.6 -0.453 23.6-143.5 -69.2 144.3 16.5 1.0 -2.1 78 89 A L E +f 30 0B 15 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.953 42.6 132.3-114.1 114.7 13.5 3.5 -2.3 79 90 A A E -f 31 0B 0 -49,-1.4 -47,-2.3 -2,-0.6 2,-0.5 -0.958 61.5-107.4-150.7 162.4 10.3 1.8 -1.5 80 91 A Y E -B 64 0A 0 -16,-3.0 -16,-2.3 -2,-0.3 2,-0.5 -0.890 44.1-152.1 -86.2 131.4 7.0 1.7 0.3 81 92 A I E -B 63 0A 0 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.925 7.8-159.0-115.3 135.5 7.4 -1.0 3.0 82 93 A Y E -BC 62 87A 16 -20,-2.8 -20,-2.1 -2,-0.5 2,-0.5 -0.899 7.8-161.5-114.5 137.0 4.5 -3.0 4.5 83 94 A A E > S-BC 61 86A 7 3,-2.9 3,-2.0 -2,-0.4 -22,-0.2 -0.966 83.9 -24.5-117.4 113.6 4.4 -4.9 7.7 84 95 A D T 3 S- 0 0 70 -24,-2.8 -1,-0.1 -2,-0.5 -23,-0.1 0.908 129.7 -48.2 48.3 44.6 1.6 -7.4 7.8 85 96 A G T 3 S+ 0 0 47 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.352 115.6 114.4 86.2 -9.3 -0.2 -5.4 5.1 86 97 A K E < -C 83 0A 110 -3,-2.0 -3,-2.9 4,-0.0 2,-0.5 -0.849 68.3-122.9 -99.0 131.6 0.2 -2.0 6.9 87 98 A M E > -C 82 0A 7 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.2 -0.592 13.1-158.3 -76.0 123.4 2.3 0.7 5.2 88 99 A K H > S+ 0 0 2 -7,-3.0 4,-2.4 -2,-0.5 5,-0.3 0.894 91.8 56.1 -63.5 -41.7 5.2 1.9 7.5 89 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.935 112.8 40.2 -58.8 -47.1 5.5 5.1 5.5 90 101 A E H > S+ 0 0 55 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.882 112.7 56.2 -70.1 -42.5 1.9 6.1 6.1 91 102 A A H X S+ 0 0 3 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.900 106.5 49.4 -58.4 -45.3 1.9 4.8 9.7 92 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.8 0.933 114.4 45.0 -60.4 -43.3 4.8 7.1 10.7 93 104 A V H ><5S+ 0 0 0 -4,-1.6 3,-1.9 -5,-0.3 -2,-0.2 0.919 110.1 54.1 -66.2 -42.2 3.2 10.2 9.1 94 105 A R H 3<5S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 109.4 50.4 -64.3 -31.6 -0.2 9.3 10.7 95 106 A Q T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.396 114.8-114.5 -85.6 4.2 1.4 9.2 14.1 96 107 A G T < 5S+ 0 0 0 -3,-1.9 32,-2.3 -4,-0.2 -3,-0.2 0.764 87.3 115.5 68.1 25.4 3.2 12.6 13.7 97 108 A L S - 0 0 147 -2,-1.1 3,-1.7 3,-0.4 -3,-0.0 -0.815 35.8 -94.1-103.8 138.5 10.0 13.9 -6.4 105 116 A K T 3 S+ 0 0 184 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.154 107.8 15.2 -44.9 132.9 8.1 13.7 -9.7 106 117 A G T 3 S+ 0 0 31 1,-0.1 -1,-0.2 -38,-0.1 -39,-0.2 0.440 114.5 69.5 75.8 -5.2 7.4 10.2 -10.8 107 118 A N S < S+ 0 0 9 -3,-1.7 -3,-0.4 -40,-0.2 -74,-0.1 -0.493 77.0 94.0-118.2 60.1 8.1 8.4 -7.5 108 119 A N > + 0 0 34 -5,-0.1 3,-2.2 1,-0.1 4,-0.3 0.139 32.3 131.1-138.4 25.3 5.0 9.9 -5.8 109 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.881 82.1 39.7 -46.8 -48.5 2.2 7.4 -6.2 110 121 A H T 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.231 81.5 114.5 -94.1 21.3 1.1 7.5 -2.5 111 122 A E H <> S+ 0 0 33 -3,-2.2 4,-2.4 1,-0.2 5,-0.2 0.932 78.1 43.9 -53.8 -53.0 1.6 11.3 -2.1 112 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.889 110.5 55.0 -67.5 -35.2 -2.0 12.2 -1.5 113 124 A L H > S+ 0 0 75 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 112.3 44.4 -57.6 -46.2 -2.6 9.2 0.9 114 125 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.877 110.9 52.7 -71.4 -36.5 0.3 10.3 3.1 115 126 A R H X S+ 0 0 93 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.882 107.2 53.9 -62.7 -35.9 -0.7 14.1 3.0 116 127 A K H X S+ 0 0 149 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.949 109.7 46.7 -66.5 -40.4 -4.1 13.1 4.2 117 128 A A H X S+ 0 0 7 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.864 111.5 52.1 -64.9 -39.7 -2.5 11.2 7.1 118 129 A E H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.907 106.5 53.1 -63.6 -40.5 -0.3 14.2 7.9 119 130 A A H X S+ 0 0 42 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.950 111.7 46.1 -61.0 -40.2 -3.3 16.5 7.9 120 131 A Q H X S+ 0 0 69 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 112.1 49.4 -72.4 -42.5 -4.9 14.3 10.5 121 132 A A H <>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.2 4,-0.3 0.868 113.1 48.5 -60.5 -39.2 -1.8 13.9 12.6 122 133 A K H ><5S+ 0 0 97 -4,-2.6 3,-0.9 3,-0.2 -2,-0.2 0.899 108.7 52.7 -67.7 -37.5 -1.4 17.7 12.6 123 134 A K H 3<5S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.890 111.7 47.7 -62.0 -41.4 -5.2 18.2 13.5 124 135 A E T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.522 108.2-129.2 -74.8 -8.5 -4.5 15.8 16.5 125 136 A K T < 5 + 0 0 142 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.860 43.5 179.6 60.4 35.6 -1.4 17.8 17.5 126 137 A L > < - 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