==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-09 3H6M . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.S.KHANGULOV,J.L.SCHLESSMAN,A.HEROUX,E.B.GARCIA-MORENO . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7228.0 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 0 3 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 7 A L 0 0 84 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 158.8 2.5 -0.6 -8.3 2 8 A H - 0 0 114 62,-0.4 62,-0.5 63,-0.1 2,-0.2 -0.990 360.0-118.1-140.9 153.2 2.9 -4.1 -6.9 3 9 A K E -A 63 0A 82 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.542 28.2-171.5 -87.4 140.9 4.1 -5.6 -3.7 4 10 A E E -A 62 0A 25 58,-2.1 58,-2.7 -2,-0.2 2,-0.0 -0.960 27.7 -97.7-128.9 152.5 7.2 -7.9 -3.7 5 11 A P E +A 61 0A 104 0, 0.0 17,-0.5 0, 0.0 2,-0.3 -0.321 43.7 156.7 -72.3 155.2 8.6 -10.0 -0.9 6 12 A A E -A 60 0A 10 54,-1.6 54,-0.7 15,-0.1 2,-0.3 -0.956 26.9-138.4-159.6 159.5 11.4 -9.2 1.4 7 13 A T E -D 20 0B 86 13,-1.6 13,-3.2 -2,-0.3 2,-0.3 -0.965 29.4-103.3-123.6 154.3 12.5 -10.3 4.9 8 14 A L E +D 19 0B 54 -2,-0.3 11,-0.2 11,-0.2 3,-0.1 -0.497 35.0 169.8 -71.4 131.8 13.8 -8.2 7.7 9 15 A I E - 0 0 71 9,-2.5 2,-0.3 1,-0.3 10,-0.2 0.758 68.9 -22.5 -97.9 -52.8 17.5 -8.2 8.5 10 16 A K E -D 18 0B 114 8,-1.9 8,-2.9 44,-0.0 -1,-0.3 -0.954 54.3-118.6-160.7 138.2 17.6 -5.3 11.0 11 17 A A E +D 17 0B 16 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.416 32.0 173.4 -63.0 145.7 15.7 -2.2 12.1 12 18 A I - 0 0 70 4,-1.1 2,-0.2 1,-0.5 5,-0.2 0.550 51.3 -43.5-121.1 -69.6 17.8 0.9 11.6 13 19 A D S S- 0 0 24 3,-2.1 -1,-0.5 33,-0.1 3,-0.5 -0.727 74.7 -61.3-151.1-161.3 15.8 4.1 12.4 14 20 A G S S+ 0 0 0 22,-0.4 77,-0.1 1,-0.2 23,-0.1 0.855 130.7 19.5 -64.3 -32.9 12.4 5.6 11.8 15 21 A D S S+ 0 0 4 21,-0.1 15,-2.6 20,-0.1 2,-0.4 0.250 116.2 64.4-124.1 15.8 12.7 5.8 8.0 16 22 A T E + E 0 29B 12 -3,-0.5 -3,-2.1 13,-0.2 -4,-1.1 -0.993 51.4 172.1-137.3 147.2 15.4 3.2 7.1 17 23 A V E -DE 11 28B 3 11,-1.7 11,-3.4 -2,-0.4 2,-0.6 -0.986 31.2-123.8-150.9 144.0 15.4 -0.5 7.5 18 24 A K E +DE 10 27B 73 -8,-2.9 -9,-2.5 -2,-0.3 -8,-1.9 -0.829 40.2 171.1 -94.7 122.4 17.8 -3.3 6.3 19 25 A L E -DE 8 26B 0 7,-2.6 7,-2.9 -2,-0.6 2,-0.7 -0.939 37.7-122.2-129.5 154.7 15.9 -5.9 4.4 20 26 A M E +DE 7 25B 81 -13,-3.2 -13,-1.6 -2,-0.3 2,-0.4 -0.882 37.1 178.2 -94.7 118.2 16.8 -8.9 2.3 21 27 A Y E > - E 0 24B 20 3,-2.8 3,-2.2 -2,-0.7 -15,-0.1 -0.986 67.9 -7.6-129.0 128.1 15.3 -8.3 -1.2 22 28 A K T 3 S- 0 0 159 -17,-0.5 -1,-0.2 -2,-0.4 -16,-0.1 0.876 132.3 -58.3 48.2 35.9 15.7 -10.8 -4.1 23 29 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.498 117.7 107.6 79.6 11.1 18.1 -12.6 -1.8 24 30 A Q E < S-E 21 0B 130 -3,-2.2 -3,-2.8 -5,-0.0 2,-0.4 -0.902 70.8-116.5-124.1 140.7 20.5 -9.6 -1.2 25 31 A P E +E 20 0B 73 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.614 44.3 163.2 -71.7 133.5 20.9 -7.3 1.8 26 32 A M E -E 19 0B 40 -7,-2.9 -7,-2.6 -2,-0.4 2,-0.5 -0.998 39.0-122.9-146.8 152.7 20.0 -3.7 1.2 27 33 A T E -E 18 0B 45 -2,-0.3 49,-2.1 47,-0.3 2,-0.4 -0.830 30.3-154.3 -88.4 129.1 19.1 -0.7 3.2 28 34 A F E -Ef 17 76B 0 -11,-3.4 -11,-1.7 -2,-0.5 2,-0.5 -0.864 5.8-156.7-102.3 137.8 15.7 0.7 2.3 29 35 A R E -Ef 16 77B 20 47,-3.6 49,-1.4 -2,-0.4 2,-0.3 -0.956 29.1-116.6-111.2 129.2 14.7 4.4 2.7 30 36 A L E > - f 0 78B 5 -15,-2.6 3,-0.9 -2,-0.5 49,-0.2 -0.446 31.9-117.7 -68.5 131.6 11.0 4.9 3.0 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 -2,-0.3 -1,-0.1 -0.337 84.3 5.4 -64.6 145.1 9.5 7.0 0.1 32 38 A L T 3 S+ 0 0 2 69,-0.5 68,-1.6 1,-0.1 2,-0.3 0.464 107.9 90.9 67.6 11.4 7.8 10.4 0.7 33 39 A V E < -H 99 0C 0 -3,-0.9 2,-0.4 66,-0.3 66,-0.2 -0.867 51.9-158.9-136.7 159.8 8.5 10.7 4.5 34 40 A D E -H 98 0C 54 64,-1.2 64,-2.1 -2,-0.3 3,-0.1 -0.907 9.9-167.8-139.7 114.0 11.1 12.1 6.8 35 41 A T - 0 0 1 -2,-0.4 62,-0.2 62,-0.2 -20,-0.1 -0.674 36.4 -95.8 -91.2 153.5 11.4 10.9 10.4 36 42 A P - 0 0 16 0, 0.0 -22,-0.4 0, 0.0 -21,-0.1 -0.317 46.6-101.1 -61.1 147.3 13.6 12.8 12.9 37 43 A E > - 0 0 85 1,-0.1 3,-2.1 -24,-0.1 6,-0.3 -0.355 36.2-106.0 -63.9 158.1 17.2 11.5 13.3 38 50 A F T 3 S+ 0 0 135 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.848 122.8 56.7 -58.6 -33.9 17.6 9.4 16.4 39 51 A N T 3 S+ 0 0 139 4,-0.1 -1,-0.3 3,-0.1 2,-0.2 0.491 100.5 75.6 -74.1 -7.0 19.5 12.3 18.0 40 52 A E S X S- 0 0 98 -3,-2.1 3,-2.2 1,-0.1 2,-0.0 -0.584 100.1 -70.0-106.9 167.7 16.5 14.7 17.5 41 53 A K T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.332 122.9 7.9 -58.8 131.6 13.2 15.2 19.2 42 54 A Y T 3> S+ 0 0 43 -4,-0.1 4,-2.7 1,-0.1 -1,-0.3 0.401 97.5 115.7 71.8 -2.9 10.9 12.2 18.5 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.8 -6,-0.3 5,-0.2 0.944 77.1 45.0 -54.6 -53.3 13.8 10.4 16.8 44 56 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.903 113.9 49.9 -63.1 -33.3 13.8 7.6 19.3 45 57 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.899 111.5 48.3 -74.1 -39.6 10.0 7.3 19.2 46 58 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.934 112.0 49.2 -62.2 -47.1 10.1 7.1 15.4 47 59 A S H X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.938 112.8 48.1 -57.3 -43.7 12.8 4.5 15.4 48 60 A A H X S+ 0 0 57 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.869 109.7 52.3 -65.1 -37.4 10.9 2.5 18.0 49 61 A F H X S+ 0 0 59 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 113.1 42.1 -63.6 -51.7 7.7 2.7 16.1 50 62 A T H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.898 113.1 55.1 -62.9 -41.3 9.2 1.4 12.8 51 63 A K H X S+ 0 0 93 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.943 110.3 45.7 -58.7 -48.6 11.2 -1.3 14.7 52 64 A K H X S+ 0 0 136 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.957 112.3 50.9 -58.9 -44.1 8.1 -2.7 16.3 53 65 A M H X S+ 0 0 28 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.895 117.9 36.8 -61.5 -43.1 6.1 -2.6 13.1 54 66 A V H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 3,-0.2 0.850 117.1 50.1 -84.0 -33.5 8.8 -4.5 11.1 55 67 A E H < S+ 0 0 93 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.814 113.1 47.1 -73.6 -30.1 9.9 -6.9 13.9 56 68 A N H < S+ 0 0 94 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.647 90.1 109.3 -83.6 -13.8 6.4 -8.0 14.7 57 69 A A < - 0 0 17 -4,-0.6 3,-0.2 -3,-0.2 -3,-0.0 -0.395 53.2-161.0 -71.0 135.2 5.4 -8.5 11.1 58 70 A K S S+ 0 0 190 1,-0.3 2,-0.4 -2,-0.2 -1,-0.2 0.828 86.9 27.8 -73.4 -30.4 4.8 -12.0 9.7 59 71 A K - 0 0 117 -52,-0.0 24,-3.1 2,-0.0 2,-0.4 -0.985 67.2-167.5-140.6 117.9 5.2 -10.7 6.2 60 72 A I E -AB 6 82A 11 -54,-0.7 -54,-1.6 -2,-0.4 2,-0.4 -0.900 13.3-174.7-102.0 138.9 7.3 -7.7 5.0 61 73 A E E -AB 5 81A 31 20,-2.2 20,-2.9 -2,-0.4 2,-0.4 -0.973 15.0-146.5-134.4 149.6 6.7 -6.5 1.4 62 74 A V E -AB 4 80A 0 -58,-2.7 -58,-2.1 -2,-0.4 2,-0.5 -0.941 10.1-169.3-110.0 140.3 8.5 -3.8 -0.7 63 75 A E E -AB 3 79A 13 16,-2.4 16,-2.8 -2,-0.4 -60,-0.2 -0.949 8.8-156.5-133.1 113.6 6.6 -1.7 -3.3 64 76 A F - 0 0 11 -62,-0.5 -62,-0.4 -2,-0.5 14,-0.2 -0.500 13.4-131.6 -83.8 159.3 8.6 0.4 -5.6 65 77 A D - 0 0 4 12,-0.4 41,-0.1 3,-0.3 -1,-0.1 -0.163 36.5 -86.9 -92.2-166.8 7.2 3.4 -7.3 66 78 A K S S+ 0 0 168 39,-0.2 40,-0.2 -2,-0.1 3,-0.1 0.596 105.1 46.2 -80.4 -16.5 7.4 4.3 -11.0 67 79 A G S S- 0 0 31 1,-0.3 39,-0.1 38,-0.2 38,-0.1 0.164 104.9 -2.2-101.3-144.5 10.7 6.1 -10.8 68 80 A Q - 0 0 123 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.3 -0.241 46.5-169.1 -50.5 131.4 14.1 5.7 -9.3 69 81 A R S S+ 0 0 109 1,-0.2 8,-2.3 -3,-0.1 2,-0.4 0.574 73.5 39.4-104.7 -13.0 14.4 2.5 -7.2 70 82 A T B S-G 76 0B 73 6,-0.3 6,-0.2 -42,-0.1 -1,-0.2 -0.984 76.2-139.8-133.3 141.4 17.8 3.4 -5.5 71 83 A D > - 0 0 23 4,-2.7 3,-2.1 -2,-0.4 -2,-0.1 -0.343 41.9 -85.3 -90.4-175.2 19.0 6.7 -4.3 72 84 A K T 3 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.637 129.1 55.6 -66.6 -10.9 22.5 8.3 -4.6 73 85 A Y T 3 S- 0 0 164 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.346 120.1-107.2 -99.2 3.9 23.5 6.4 -1.5 74 86 A G S < S+ 0 0 52 -3,-2.1 2,-0.4 1,-0.3 -47,-0.3 0.558 72.9 142.4 74.2 11.6 22.5 3.0 -2.9 75 87 A R - 0 0 68 -49,-0.1 -4,-2.7 -47,-0.1 -1,-0.3 -0.698 55.1-116.8 -80.6 139.8 19.5 2.7 -0.6 76 88 A G E -fG 28 70B 0 -49,-2.1 -47,-3.6 -2,-0.4 2,-0.6 -0.426 23.4-144.4 -66.5 145.6 16.3 1.2 -2.1 77 89 A L E +f 29 0B 19 -8,-2.3 -12,-0.4 -49,-0.2 2,-0.3 -0.966 42.1 127.5-117.8 118.2 13.4 3.6 -2.2 78 90 A A E -f 30 0B 0 -49,-1.4 -47,-2.4 -2,-0.6 2,-0.5 -0.960 62.4-100.5-156.2 168.0 10.1 2.0 -1.6 79 91 A Y E -B 63 0A 0 -16,-2.8 -16,-2.4 -2,-0.3 2,-0.5 -0.867 43.9-148.9 -93.0 132.9 6.9 1.9 0.3 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.6 -0.903 9.8-161.6-111.4 130.8 7.3 -0.8 3.0 81 93 A Y E -BC 61 86A 18 -20,-2.9 -20,-2.2 -2,-0.5 2,-0.5 -0.911 8.6-162.9-114.2 138.6 4.4 -3.0 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 85.0 -23.2-118.4 110.6 4.2 -5.0 7.5 83 95 A D T 3 S- 0 0 82 -24,-3.1 -1,-0.1 -2,-0.5 -23,-0.1 0.914 130.0 -49.4 51.2 48.9 1.3 -7.6 7.3 84 96 A G T 3 S+ 0 0 41 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.308 115.7 114.9 77.6 -9.6 -0.4 -5.4 4.6 85 97 A K E < -C 82 0A 126 -3,-2.0 -3,-2.7 4,-0.0 2,-0.5 -0.817 68.4-123.3 -96.5 133.2 -0.1 -2.1 6.6 86 98 A M E > -C 81 0A 7 -2,-0.5 4,-2.3 -5,-0.2 -5,-0.3 -0.570 12.4-157.1 -79.6 124.5 2.2 0.6 5.1 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.7 -2,-0.5 5,-0.2 0.909 93.5 56.3 -61.6 -43.8 4.9 1.7 7.4 88 100 A N H > S+ 0 0 0 -8,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.924 111.7 42.7 -57.8 -46.9 5.3 5.0 5.6 89 101 A E H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 111.5 54.5 -65.6 -40.8 1.5 5.8 6.1 90 102 A A H X S+ 0 0 9 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.913 106.5 51.4 -61.8 -42.9 1.5 4.6 9.7 91 103 A L H <>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 6,-0.6 0.920 112.5 47.0 -56.5 -45.2 4.4 6.9 10.6 92 104 A E H ><5S+ 0 0 0 -4,-1.7 3,-1.6 1,-0.2 -2,-0.2 0.910 109.6 52.5 -66.3 -39.9 2.5 9.9 9.1 93 105 A R H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 111.3 49.2 -70.3 -28.2 -0.8 9.0 10.9 94 106 A Q T 3<5S- 0 0 72 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.379 112.3-114.8 -88.7 5.4 1.0 8.9 14.2 95 107 A G T < 5S+ 0 0 0 -3,-1.6 32,-2.5 -4,-0.2 -3,-0.2 0.828 84.4 116.7 69.6 27.4 2.8 12.2 13.9 96 108 A L S - 0 0 153 -2,-1.2 3,-2.2 3,-0.4 -3,-0.0 -0.771 33.5 -98.9 -98.8 139.8 10.0 13.9 -6.3 104 116 A K T 3 S+ 0 0 204 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.189 108.3 20.1 -55.3 137.9 8.1 13.9 -9.6 105 117 A G T 3 S+ 0 0 36 -38,-0.1 -1,-0.2 1,-0.1 -38,-0.2 0.470 116.9 66.5 77.6 -3.4 7.4 10.3 -10.9 106 118 A N S < S+ 0 0 11 -3,-2.2 -3,-0.4 -40,-0.2 -74,-0.1 -0.337 76.2 91.1-128.4 47.2 8.0 8.6 -7.5 107 119 A N > + 0 0 54 -5,-0.1 3,-1.8 1,-0.1 4,-0.3 0.082 34.6 131.9-133.6 29.9 5.0 10.1 -5.7 108 120 A T T 3 S+ 0 0 73 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.890 81.9 39.6 -50.9 -44.2 2.1 7.6 -6.2 109 121 A H T 3> S+ 0 0 36 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.219 81.4 112.2 -96.1 18.6 1.1 7.6 -2.5 110 122 A E H <> S+ 0 0 32 -3,-1.8 4,-2.6 1,-0.2 5,-0.2 0.944 79.5 44.5 -55.3 -50.7 1.6 11.3 -1.8 111 123 A Q H > S+ 0 0 132 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.919 111.0 53.9 -69.1 -33.5 -2.0 12.2 -1.3 112 124 A L H > S+ 0 0 76 -4,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.947 114.1 44.1 -56.4 -46.7 -2.7 9.1 0.9 113 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.875 110.5 52.2 -70.8 -38.0 0.2 10.1 3.1 114 126 A R H X S+ 0 0 91 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.868 107.6 54.6 -64.6 -32.2 -0.7 13.9 3.3 115 127 A K H X S+ 0 0 147 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.934 109.5 46.0 -67.1 -42.5 -4.2 12.8 4.4 116 128 A A H X S+ 0 0 8 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.905 111.5 51.8 -64.3 -43.2 -2.7 10.8 7.2 117 129 A E H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.932 107.5 53.8 -59.1 -40.2 -0.4 13.7 8.2 118 130 A A H X S+ 0 0 35 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.910 109.2 47.8 -61.5 -43.4 -3.5 16.1 8.2 119 131 A Q H X S+ 0 0 64 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.929 112.1 49.2 -66.5 -41.7 -5.3 13.7 10.6 120 132 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.876 111.6 49.1 -60.0 -39.2 -2.2 13.5 12.9 121 133 A K H ><5S+ 0 0 104 -4,-2.5 3,-1.7 3,-0.2 -2,-0.2 0.924 108.7 52.7 -68.3 -42.3 -1.8 17.3 12.8 122 134 A K H 3<5S+ 0 0 153 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.879 111.9 47.0 -58.1 -39.9 -5.6 17.7 13.7 123 135 A E T 3<5S- 0 0 89 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.452 108.8-130.1 -77.6 -1.7 -5.0 15.3 16.7 124 136 A K T < 5 + 0 0 147 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.897 43.7 178.7 50.9 47.6 -1.9 17.3 17.6 125 137 A L > < - 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