==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA REPAIR 20-NOV-03 1US8 . COMPND 2 MOLECULE: DNA DOUBLE-STRAND BREAK REPAIR RAD50 ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR G.MONCALIAN,B.LENGSFELD,V.BHASKARA,K.P.HOPFNER,A.KARCHER, . 269 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 20.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 . 24 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 0 0 1 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 2 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 1 A M 0 0 25 0, 0.0 2,-0.3 0, 0.0 63,-0.2 0.000 360.0 360.0 360.0 168.2 21.7 19.2 -2.4 2 2 A K E -A 63 0A 35 61,-2.2 61,-3.7 207,-0.1 2,-0.3 -0.981 360.0-130.1-153.1 140.0 23.5 17.3 -5.2 3 3 A L E +A 62 0A 2 -2,-0.3 59,-0.3 59,-0.2 3,-0.1 -0.684 21.7 177.3 -89.5 144.6 26.4 18.1 -7.5 4 4 A E E - 0 0 57 57,-2.7 17,-2.6 1,-0.3 2,-0.3 0.763 58.3 -16.6-113.8 -46.1 25.9 17.6 -11.2 5 5 A R E -AB 61 20A 103 56,-1.7 56,-3.0 15,-0.3 2,-0.4 -0.977 46.7-163.4-164.6 148.1 29.0 18.7 -13.0 6 6 A V E -AB 60 19A 0 13,-2.2 13,-2.6 -2,-0.3 2,-0.4 -0.998 4.0-163.5-137.6 139.2 32.2 20.7 -12.6 7 7 A T E -AB 59 18A 12 52,-2.5 52,-2.4 -2,-0.4 2,-0.4 -0.990 10.6-174.4-122.4 129.9 34.6 22.0 -15.2 8 8 A V E -AB 58 17A 0 9,-3.2 9,-3.5 -2,-0.4 2,-0.4 -0.992 3.0-179.7-130.3 127.4 38.1 23.2 -14.1 9 9 A K E -A 57 0A 78 48,-2.6 48,-2.3 -2,-0.4 6,-0.2 -0.993 66.0 -5.6-131.1 133.2 40.6 24.8 -16.4 10 10 A N S S+ 0 0 91 4,-0.4 2,-0.4 5,-0.4 5,-0.2 0.916 87.6 132.3 52.3 54.8 44.1 26.0 -15.5 11 11 A F B > S-F 14 0B 22 3,-2.0 3,-2.3 -3,-0.1 -1,-0.2 -0.946 79.5 -51.4-136.0 109.3 43.9 25.3 -11.8 12 12 A R T 3 S- 0 0 155 -2,-0.4 -2,-0.0 1,-0.3 23,-0.0 -0.414 126.3 -13.3 61.3-127.0 46.8 23.4 -10.2 13 13 A S T 3 S+ 0 0 27 -2,-0.2 254,-2.9 -3,-0.1 2,-0.6 0.438 115.3 103.5 -85.4 1.8 47.4 20.3 -12.4 14 14 A H B < +F 11 0B 2 -3,-2.3 -3,-2.0 252,-0.2 -4,-0.4 -0.749 34.3 165.0 -89.7 120.4 44.1 20.7 -14.2 15 15 A S S S- 0 0 54 -2,-0.6 -5,-0.4 252,-0.4 -1,-0.2 0.828 84.0 -12.0 -97.3 -43.4 44.3 22.1 -17.7 16 16 A D S S+ 0 0 93 251,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.548 80.4 168.2-159.5 83.7 40.8 21.2 -18.8 17 17 A T E -B 8 0A 4 -9,-3.5 -9,-3.2 -2,-0.1 2,-0.4 -0.852 10.8-176.9-107.4 135.8 38.9 18.8 -16.5 18 18 A V E -B 7 0A 75 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.996 5.1-178.5-131.0 125.4 35.2 18.0 -16.6 19 19 A V E -B 6 0A 5 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.4 -0.989 11.3-156.6-129.8 128.9 33.7 15.7 -14.0 20 20 A E E -B 5 0A 116 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.3 -0.796 8.7-153.3-101.0 143.7 30.1 14.6 -13.9 21 21 A F - 0 0 8 -17,-2.6 2,-0.2 -2,-0.4 221,-0.1 -0.952 15.8-177.0-117.7 138.7 28.5 13.4 -10.6 22 22 A K - 0 0 75 -2,-0.4 219,-0.2 1,-0.2 -19,-0.1 -0.550 35.2 -65.2-122.8-172.3 25.6 11.0 -10.5 23 23 A E S S+ 0 0 107 -2,-0.2 217,-0.2 217,-0.1 -1,-0.2 -0.347 97.2 14.1 -72.7 156.8 23.3 9.3 -8.0 24 24 A G E S-g 240 0C 12 215,-2.8 217,-2.8 214,-0.2 2,-0.6 -0.379 116.3 -7.0 80.3-157.9 24.7 6.9 -5.5 25 25 A I E -g 241 0C 0 215,-0.2 231,-2.4 -2,-0.1 230,-1.6 -0.684 57.7-167.0 -84.2 116.1 28.4 6.4 -4.7 26 26 A N E -gh 242 256C 9 215,-4.0 217,-3.3 -2,-0.6 2,-0.5 -0.905 9.7-162.5-102.4 109.7 30.8 8.4 -6.9 27 27 A L E -gh 243 257C 2 229,-3.2 231,-2.2 -2,-0.7 2,-0.7 -0.841 8.0-166.6-100.1 126.5 34.3 7.1 -6.4 28 28 A I E -gh 244 258C 4 215,-3.3 217,-2.3 -2,-0.5 2,-0.4 -0.927 11.5-166.4-112.6 106.9 37.2 9.2 -7.6 29 29 A I E +gh 245 259C 0 229,-2.6 231,-3.0 -2,-0.7 2,-0.3 -0.757 23.7 132.6 -95.8 138.8 40.4 7.2 -7.6 30 30 A G - 0 0 1 215,-1.7 231,-0.1 -2,-0.4 2,-0.1 -0.948 44.3-117.5-175.9 156.1 43.8 8.8 -7.9 31 31 A Q > - 0 0 98 229,-0.5 3,-1.9 -2,-0.3 5,-0.4 -0.418 58.4 -61.1 -95.0 175.5 47.3 8.9 -6.4 32 32 A N T 3 S+ 0 0 152 1,-0.3 -1,-0.2 2,-0.1 214,-0.0 -0.293 125.5 13.8 -57.9 136.4 49.1 11.8 -4.8 33 33 A G T 3 S+ 0 0 63 -3,-0.1 -1,-0.3 1,-0.1 228,-0.1 0.584 90.5 119.0 73.6 8.8 49.5 14.8 -7.1 34 34 A S S < S- 0 0 4 -3,-1.9 234,-0.2 226,-0.1 227,-0.2 0.791 87.9-109.4 -75.2 -27.5 47.0 13.3 -9.6 35 35 A G S > S+ 0 0 4 -4,-0.3 4,-1.6 225,-0.1 5,-0.1 0.303 89.2 116.2 114.0 -5.2 44.7 16.2 -9.2 36 36 A K H > S+ 0 0 14 -5,-0.4 4,-1.1 1,-0.2 -4,-0.1 0.897 81.0 46.5 -61.0 -38.4 41.9 14.4 -7.3 37 37 A S H > S+ 0 0 62 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.914 110.9 49.1 -70.8 -45.2 42.6 16.7 -4.3 38 38 A S H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.735 103.3 63.9 -67.4 -23.1 42.7 19.9 -6.2 39 39 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.913 104.4 45.4 -66.3 -43.5 39.4 18.9 -7.9 40 40 A L H X S+ 0 0 4 -4,-1.1 4,-2.0 -3,-0.3 -2,-0.2 0.854 111.2 53.7 -67.8 -33.8 37.6 19.0 -4.5 41 41 A D H X S+ 0 0 23 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.899 105.6 53.3 -66.4 -39.5 39.3 22.3 -3.8 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.881 108.0 51.1 -62.4 -37.4 38.0 23.7 -7.1 43 43 A I H X S+ 0 0 6 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.921 110.2 48.5 -65.7 -42.6 34.5 22.7 -6.0 44 44 A L H X S+ 0 0 8 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.884 113.8 47.2 -63.1 -39.8 34.9 24.4 -2.6 45 45 A V H X S+ 0 0 10 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.933 110.9 52.7 -66.6 -45.6 36.2 27.5 -4.5 46 46 A G H < S+ 0 0 1 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 119.3 33.6 -55.9 -45.6 33.3 27.3 -6.9 47 47 A L H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.939 132.2 23.5 -77.3 -48.5 30.7 27.1 -4.1 48 48 A Y H < S+ 0 0 14 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.197 81.3 174.7-112.7 17.9 32.2 29.3 -1.4 49 49 A W < + 0 0 43 -4,-1.9 2,-0.1 -5,-0.1 3,-0.0 -0.393 58.3 60.8 -60.4 142.9 34.7 31.8 -2.9 50 50 A P S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.449 84.3 109.4 -84.5 138.7 36.1 34.0 -1.4 51 51 A L - 0 0 26 2,-0.1 2,-0.6 -2,-0.1 -2,-0.0 -0.964 65.9-106.3-162.9 163.3 37.9 31.7 1.0 52 52 A R 0 0 226 -2,-0.3 -3,-0.0 -3,-0.0 -7,-0.0 -0.896 360.0 360.0-107.2 115.6 41.4 30.5 1.7 53 53 A I 0 0 87 -2,-0.6 -2,-0.1 -12,-0.0 -8,-0.0 -0.990 360.0 360.0-152.9 360.0 42.2 26.9 0.7 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 68 A D 0 0 104 0, 0.0 2,-0.4 0, 0.0 21,-0.2 0.000 360.0 360.0 360.0 109.0 43.2 32.2 -16.8 56 69 A T E - C 0 75A 37 19,-1.8 19,-2.9 -48,-0.0 2,-0.4 -0.680 360.0-173.7 -83.9 131.4 41.7 30.0 -14.1 57 70 A Y E +AC 9 74A 39 -48,-2.3 -48,-2.6 -2,-0.4 2,-0.4 -0.993 10.6 178.7-131.6 131.9 38.1 29.0 -14.8 58 71 A I E +AC 8 73A 1 15,-2.8 15,-3.1 -2,-0.4 2,-0.5 -0.991 0.5 179.7-134.8 124.5 35.7 27.0 -12.6 59 72 A D E -AC 7 72A 3 -52,-2.4 -52,-2.5 -2,-0.4 2,-0.4 -0.987 7.6-177.5-127.7 120.3 32.1 26.2 -13.6 60 73 A L E -AC 6 71A 0 11,-3.0 11,-2.6 -2,-0.5 2,-0.5 -0.969 11.1-167.0-125.8 130.9 29.9 24.2 -11.2 61 74 A I E +AC 5 70A 9 -56,-3.0 -57,-2.7 -2,-0.4 -56,-1.7 -0.955 21.0 160.7-115.0 127.7 26.4 23.0 -11.7 62 75 A F E -AC 3 69A 0 7,-2.0 7,-3.2 -2,-0.5 2,-0.4 -0.920 32.1-124.4-140.8 168.0 24.5 21.7 -8.6 63 76 A E E +AC 2 68A 56 -61,-3.7 -61,-2.2 -2,-0.3 2,-0.3 -0.937 25.4 173.2-117.8 138.1 20.9 21.1 -7.5 64 77 A K E > - C 0 67A 41 3,-2.5 3,-2.5 -2,-0.4 -2,-0.0 -0.960 68.1 -18.8-147.5 123.9 19.3 22.5 -4.4 65 78 A D T 3 S- 0 0 130 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.843 126.8 -50.5 49.7 40.7 15.7 22.2 -3.2 66 79 A G T 3 S+ 0 0 68 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.378 116.9 111.3 83.0 -6.6 14.5 21.3 -6.7 67 80 A T E < -C 64 0A 50 -3,-2.5 -3,-2.5 21,-0.0 2,-0.6 -0.875 62.7-136.6-106.5 134.8 16.3 24.2 -8.4 68 81 A K E -C 63 0A 54 -2,-0.4 19,-2.7 19,-0.3 2,-0.3 -0.781 27.4-171.6 -91.7 122.2 19.3 23.8 -10.7 69 82 A Y E -CD 62 86A 25 -7,-3.2 -7,-2.0 -2,-0.6 2,-0.3 -0.750 12.1-164.3-112.6 160.1 22.1 26.3 -10.0 70 83 A R E -CD 61 85A 61 15,-2.4 15,-3.0 -2,-0.3 2,-0.5 -0.964 1.4-169.5-147.5 124.0 25.3 27.2 -11.8 71 84 A I E -CD 60 84A 1 -11,-2.6 -11,-3.0 -2,-0.3 2,-0.4 -0.961 7.6-172.8-115.6 131.2 28.2 29.2 -10.5 72 85 A T E -CD 59 83A 35 11,-3.0 11,-2.2 -2,-0.5 2,-0.4 -0.989 3.8-179.9-127.1 127.6 31.0 30.3 -12.9 73 86 A R E -CD 58 82A 0 -15,-3.1 -15,-2.8 -2,-0.4 2,-0.4 -0.979 6.5-175.5-130.2 140.6 34.2 32.0 -11.8 74 87 A R E -CD 57 81A 97 7,-2.5 7,-3.0 -2,-0.4 2,-0.7 -0.993 10.0-160.0-137.3 125.5 37.1 33.2 -13.9 75 88 A F E CD 56 80A 40 -19,-2.9 -19,-1.8 -2,-0.4 5,-0.2 -0.927 360.0 360.0-109.2 109.1 40.3 34.6 -12.5 76 89 A L 0 0 87 3,-2.0 3,-0.1 -2,-0.7 -2,-0.0 -0.605 360.0 360.0 -75.4 360.0 42.1 36.7 -15.1 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 94 A S 0 0 147 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-156.1 44.2 40.8 -13.4 79 95 A G - 0 0 45 -4,-0.1 -3,-2.0 -3,-0.1 2,-0.3 -0.116 360.0-115.7 92.6 167.4 40.6 40.9 -12.1 80 96 A E E -D 75 0A 91 -5,-0.2 2,-0.4 -2,-0.0 -5,-0.2 -0.991 9.1-147.8-146.0 151.6 37.9 38.2 -11.7 81 97 A I E +D 74 0A 93 -7,-3.0 -7,-2.5 -2,-0.3 2,-0.4 -0.965 17.1 179.6-121.9 137.5 34.5 37.4 -13.0 82 98 A H E +D 73 0A 6 16,-0.5 2,-0.3 -2,-0.4 -9,-0.2 -0.993 4.9 167.7-141.6 130.9 31.7 35.7 -11.0 83 99 A A E -D 72 0A 16 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.999 12.9-168.3-143.9 141.5 28.2 34.7 -11.9 84 100 A M E +D 71 0A 0 -2,-0.3 11,-2.6 12,-0.3 12,-0.7 -0.988 19.8 171.5-131.1 122.4 25.6 32.5 -10.3 85 101 A K E -DE 70 94A 68 -15,-3.0 -15,-2.4 -2,-0.4 2,-0.3 -0.807 24.3-137.1-129.2 168.9 22.5 31.5 -12.2 86 102 A R E -DE 69 93A 95 7,-2.3 7,-2.5 -2,-0.3 2,-0.4 -0.910 28.2-112.1-123.6 149.6 19.5 29.3 -12.0 87 103 A L E + E 0 92A 57 -19,-2.7 2,-0.4 -2,-0.3 -19,-0.3 -0.701 32.6 179.5 -85.8 131.3 18.0 27.1 -14.8 88 104 A V E > - E 0 91A 55 3,-2.6 3,-2.2 -2,-0.4 2,-0.9 -0.923 64.2 -53.3-133.7 105.9 14.6 28.2 -16.0 89 105 A G T 3 S- 0 0 77 -2,-0.4 -2,-0.0 1,-0.3 3,-0.0 -0.506 124.5 -18.6 66.0-103.0 13.1 26.0 -18.8 90 106 A N T 3 S+ 0 0 156 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.3 0.436 124.9 66.1-116.3 -2.8 16.0 26.1 -21.2 91 107 A E E < S-E 88 0A 111 -3,-2.2 -3,-2.6 -5,-0.0 2,-0.4 -0.885 71.1-121.4-127.4 158.2 18.1 29.1 -20.2 92 108 A W E -E 87 0A 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.788 27.3-168.6 -95.2 131.1 20.2 30.3 -17.3 93 109 A K E -E 86 0A 86 -7,-2.5 -7,-2.3 -2,-0.4 -2,-0.0 -0.944 30.2-101.2-122.4 141.6 19.2 33.5 -15.5 94 110 A H E -E 85 0A 96 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.298 24.1-164.5 -57.2 136.4 21.2 35.5 -12.9 95 111 A V S S- 0 0 37 -11,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.662 73.1 -8.1 -95.2 -22.7 20.1 34.8 -9.4 96 112 A T S S- 0 0 45 -12,-0.7 -12,-0.3 3,-0.0 -1,-0.2 -0.925 103.9 -47.9-158.9 177.6 21.8 37.9 -8.0 97 113 A E - 0 0 128 -2,-0.3 2,-2.8 1,-0.2 6,-0.2 -0.323 60.4-114.3 -56.8 135.4 24.3 40.6 -9.1 98 114 A P S S+ 0 0 72 0, 0.0 -16,-0.5 0, 0.0 2,-0.3 -0.381 78.2 113.9 -73.7 68.6 27.3 38.9 -10.8 99 115 A S S > S- 0 0 28 -2,-2.8 4,-2.4 1,-0.1 5,-0.3 -0.961 75.9-118.2-137.3 155.3 29.7 40.0 -8.2 100 116 A S H > S+ 0 0 29 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.916 113.0 45.7 -57.7 -48.6 31.8 38.1 -5.6 101 117 A K H > S+ 0 0 172 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.917 113.6 47.4 -65.2 -44.9 30.1 39.7 -2.6 102 118 A A H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 115.1 45.8 -63.6 -45.1 26.6 39.3 -3.8 103 119 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 -6,-0.2 -1,-0.2 0.906 112.0 51.8 -64.0 -41.9 27.1 35.6 -4.8 104 120 A S H X S+ 0 0 32 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.867 110.4 48.7 -63.0 -38.5 28.8 34.9 -1.5 105 121 A A H X S+ 0 0 47 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.873 111.1 50.5 -68.9 -39.2 26.0 36.4 0.5 106 122 A F H >X S+ 0 0 52 -4,-2.0 4,-2.6 1,-0.2 3,-0.9 0.938 109.6 50.0 -64.7 -47.0 23.4 34.4 -1.5 107 123 A M H 3X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.3 -1,-0.2 0.853 103.6 58.6 -60.9 -37.7 25.3 31.1 -0.9 108 124 A E H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.756 113.7 40.3 -64.6 -22.5 25.5 31.7 2.8 109 125 A K H << S+ 0 0 176 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.829 119.8 43.4 -92.1 -38.4 21.7 31.9 2.8 110 126 A L H < S- 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.961 140.7 -2.2 -70.8 -54.6 21.1 29.0 0.3 111 127 A I S < S- 0 0 8 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 -0.708 83.2-138.6-141.1 85.4 23.7 26.6 1.8 112 128 A P >> - 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