==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-FEB-07 2EEQ . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 7 0 0 0 4 4 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 3 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 . 5 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 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 1 A M 0 0 143 0, 0.0 106,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -4.8 55.5 97.2 54.3 2 2 A V E -a 107 0A 9 76,-0.4 78,-2.9 104,-0.1 2,-0.4 -0.845 360.0-135.8-129.0 161.8 52.2 97.6 56.2 3 3 A L E -ab 108 80A 0 104,-2.5 106,-1.9 -2,-0.3 2,-0.4 -0.955 16.4-158.1-117.5 133.9 49.4 95.5 57.8 4 4 A Y E -ab 109 81A 31 76,-2.8 78,-3.1 -2,-0.4 2,-0.7 -0.939 9.2-157.8-115.7 129.6 45.7 96.4 57.5 5 5 A F E -ab 110 82A 0 104,-3.0 106,-3.1 -2,-0.4 2,-0.5 -0.930 26.4-176.7-100.5 114.1 42.9 95.2 59.8 6 6 A I E -ab 111 83A 0 76,-2.6 78,-1.6 -2,-0.7 2,-0.2 -0.958 19.1-141.7-123.0 124.1 39.8 95.5 57.6 7 7 A G E - b 0 84A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.553 4.4-162.0 -80.5 142.8 36.3 94.8 58.7 8 8 A L - 0 0 2 76,-2.7 7,-0.3 78,-0.5 3,-0.2 0.573 40.6-126.4 -98.5 -13.1 33.9 93.1 56.3 9 9 A G B -E 86 0B 1 77,-1.3 77,-3.8 75,-0.4 -1,-0.3 -0.482 32.0 -49.9 104.9-173.1 30.7 94.1 58.0 10 10 A L S S- 0 0 2 75,-0.2 30,-0.4 -2,-0.2 -1,-0.1 0.855 110.8 -7.1 -75.8 -45.3 27.5 92.6 59.3 11 11 A Y S S+ 0 0 52 1,-0.3 30,-2.2 199,-0.2 31,-0.3 0.764 112.8 14.5-127.4 -51.7 26.0 90.2 56.7 12 12 A D S > S- 0 0 20 29,-0.2 3,-2.3 28,-0.1 -1,-0.3 -0.787 80.2 -88.9-129.1 174.9 27.4 90.0 53.2 13 13 A E G > S+ 0 0 36 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.695 118.7 64.0 -56.1 -22.5 30.5 91.0 51.2 14 14 A R G 3 S+ 0 0 56 1,-0.2 271,-2.2 270,-0.1 270,-0.3 0.482 79.5 81.9 -83.8 -2.0 29.0 94.3 50.3 15 15 A D G < S+ 0 0 2 -3,-2.3 -1,-0.2 -7,-0.3 2,-0.2 0.392 70.0 104.1 -82.3 3.8 29.0 95.5 54.0 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.6 97,-0.1 269,-0.3 -0.579 81.6-109.6 -76.3 149.5 32.7 96.4 53.6 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.5 95,-0.4 266,-0.3 -0.450 20.9-116.8 -78.1 157.5 33.3 100.1 53.3 18 18 A V H > S+ 0 0 13 264,-2.7 4,-3.0 262,-0.4 5,-0.3 0.939 119.8 54.8 -56.7 -44.0 34.5 101.5 49.9 19 19 A K H > S+ 0 0 2 261,-2.8 4,-2.2 263,-0.3 -1,-0.2 0.934 108.1 48.8 -52.7 -49.7 37.7 102.5 51.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.3 92,-0.2 -1,-0.2 0.890 112.7 46.9 -59.3 -42.4 38.1 98.9 52.8 21 21 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 110.7 50.2 -66.7 -49.8 37.5 97.5 49.4 22 22 A E H X S+ 0 0 73 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.901 114.9 44.7 -56.7 -42.6 39.8 99.8 47.5 23 23 A I H >< S+ 0 0 19 -4,-2.2 3,-0.9 -5,-0.3 -1,-0.2 0.922 111.0 52.0 -68.9 -44.6 42.7 99.1 50.0 24 24 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -2,-0.2 0.886 104.3 59.1 -59.4 -37.8 42.2 95.3 50.0 25 25 A K H 3< S+ 0 0 80 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.799 107.3 46.7 -61.4 -29.3 42.3 95.4 46.2 26 26 A K T << S+ 0 0 158 -3,-0.9 -1,-0.3 -4,-0.8 2,-0.2 0.225 88.9 107.5 -99.8 14.7 45.8 96.9 46.3 27 27 A C < - 0 0 1 -3,-1.6 53,-0.2 1,-0.1 3,-0.1 -0.642 64.2-142.4 -90.2 151.6 47.2 94.5 48.9 28 28 A D S S+ 0 0 94 51,-2.1 2,-0.3 1,-0.3 52,-0.2 0.831 85.6 17.2 -80.1 -34.4 49.7 91.8 47.9 29 29 A M E -c 80 0A 65 50,-1.4 52,-2.2 24,-0.1 2,-0.4 -1.000 68.1-155.3-142.9 140.3 48.3 89.2 50.2 30 30 A V E -cd 81 55A 6 24,-0.6 26,-2.2 -2,-0.3 2,-0.3 -0.964 10.3-178.7-122.9 130.5 45.1 88.9 52.1 31 31 A F E +cd 82 56A 10 50,-3.6 52,-3.3 -2,-0.4 2,-0.3 -0.771 7.5 178.6-117.7 165.3 44.3 86.9 55.3 32 32 A A E -cd 83 57A 0 24,-1.6 26,-4.0 50,-0.3 2,-0.3 -0.991 20.5-150.7-163.5 160.9 41.1 86.4 57.2 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.984 6.9-177.9-135.8 142.6 39.4 84.8 60.1 34 34 A F + 0 0 54 24,-0.6 5,-0.1 -2,-0.3 50,-0.1 -0.045 63.3 86.2-133.7 34.3 35.7 83.8 60.3 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 1,-0.1 136,-0.1 0.594 74.0 67.1-108.5 -16.1 35.4 82.5 63.8 36 36 A T S S- 0 0 14 1,-0.2 2,-0.3 133,-0.1 -1,-0.1 0.680 118.6 -8.4 -79.4 -17.3 34.7 85.7 65.8 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.974 71.9-104.9-165.8 172.4 31.3 86.1 64.1 38 38 A L - 0 0 35 -2,-0.3 2,-1.1 -28,-0.1 3,-0.1 -0.942 11.3-159.7-118.8 121.3 29.1 84.8 61.3 39 39 A M > - 0 0 14 -2,-0.5 3,-0.9 1,-0.2 -28,-0.2 -0.805 16.6-177.3 -95.2 94.4 28.4 86.5 58.0 40 40 A A T 3 + 0 0 39 -2,-1.1 -1,-0.2 -30,-0.4 -28,-0.1 0.589 69.5 56.5 -70.6 -14.4 25.2 84.7 57.1 41 41 A G T 3 S+ 0 0 19 -30,-2.2 2,-0.3 -31,-0.1 -1,-0.2 0.263 103.9 41.3-107.1 15.8 24.7 86.4 53.7 42 42 A T < - 0 0 19 -3,-0.9 2,-0.3 -31,-0.3 -3,-0.1 -0.868 61.9-134.3-147.3 179.4 27.9 85.6 51.8 43 43 A T > - 0 0 76 -2,-0.3 4,-1.7 1,-0.1 3,-0.3 -0.916 34.4-109.3-135.3 159.9 30.5 83.0 51.1 44 44 A L H > S+ 0 0 62 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.857 119.2 59.9 -58.1 -34.3 34.3 83.2 51.0 45 45 A G H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 104.1 47.0 -59.9 -46.8 34.0 82.8 47.2 46 46 A R H > S+ 0 0 141 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.833 112.0 50.8 -65.3 -33.4 32.0 86.0 46.9 47 47 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.925 111.2 48.7 -70.1 -42.6 34.4 87.9 49.1 48 48 A Q H X>S+ 0 0 57 -4,-2.6 4,-1.8 1,-0.2 5,-1.2 0.878 110.9 50.6 -63.0 -39.1 37.3 86.7 47.0 49 49 A K H <5S+ 0 0 187 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.928 111.8 46.6 -65.6 -45.3 35.5 87.7 43.8 50 50 A L H <5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 119.7 39.8 -65.4 -35.8 34.7 91.2 45.0 51 51 A I H <5S- 0 0 4 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.676 99.0-136.6 -88.5 -19.4 38.3 91.7 46.3 52 52 A G T <5 + 0 0 59 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.848 68.0 102.4 65.9 34.4 40.0 90.0 43.4 53 53 A K S - 0 0 37 -2,-0.3 4,-2.5 -26,-0.1 5,-0.2 -0.476 34.2 -99.5 -96.8 173.5 41.8 79.6 62.6 60 60 A R H > S+ 0 0 105 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.892 126.7 48.8 -61.9 -37.4 41.7 80.8 66.1 61 61 A E H >>S+ 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.9 0.907 108.1 54.0 -69.2 -39.4 44.9 78.9 66.9 62 62 A D H >5S+ 0 0 43 3,-0.2 4,-1.3 2,-0.2 7,-0.2 0.941 119.0 34.9 -57.7 -47.5 46.6 80.3 63.8 63 63 A V H X5S+ 0 0 1 -4,-2.5 4,-1.6 3,-0.2 5,-0.2 0.985 121.3 43.5 -71.2 -61.1 45.8 83.8 64.9 64 64 A E H <5S+ 0 0 74 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.774 130.7 23.3 -59.0 -29.8 46.1 83.6 68.7 65 65 A L H <5S+ 0 0 102 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.742 136.1 23.7-109.2 -29.1 49.3 81.5 68.7 66 66 A N H >XS+ 0 0 0 -4,-1.6 4,-1.9 1,-0.3 5,-1.5 0.927 87.1 49.1 -54.0 -44.8 49.8 85.6 64.0 68 68 A E H 345S+ 0 0 76 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.502 116.7 43.5 -72.5 -4.6 53.4 86.8 64.4 69 69 A N H <45S+ 0 0 101 -3,-2.0 -2,-0.2 -7,-0.2 -1,-0.2 0.671 123.2 31.3-110.7 -29.1 54.6 83.7 62.5 70 70 A I H <5S+ 0 0 27 -4,-2.9 4,-0.3 -8,-0.2 -3,-0.2 0.880 133.2 17.9 -95.1 -48.7 52.1 83.4 59.7 71 71 A V T >X5S+ 0 0 0 -4,-1.9 3,-1.3 -5,-0.4 4,-0.8 0.951 114.9 55.2 -91.6 -62.0 51.1 87.1 59.0 72 72 A L H >> S+ 0 0 53 -3,-1.3 3,-1.1 -4,-0.3 4,-0.7 0.716 96.5 69.8 -68.6 -22.6 55.1 88.9 55.2 75 75 A A H X< S+ 0 0 0 -3,-1.0 3,-1.1 -4,-0.8 -1,-0.2 0.913 84.8 66.2 -63.1 -45.1 54.4 92.5 56.1 76 76 A K T 3< S+ 0 0 136 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.707 119.9 23.7 -51.5 -19.2 58.0 93.5 56.1 77 77 A E T <4 S+ 0 0 166 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.3 0.358 126.1 40.4-129.6 3.9 58.0 92.8 52.3 78 78 A N S << S- 0 0 32 -3,-1.1 2,-0.7 -4,-0.7 -76,-0.4 -0.907 76.8-109.9-145.4 170.5 54.3 93.2 51.4 79 79 A D - 0 0 50 -2,-0.3 -51,-2.1 -78,-0.2 -50,-1.4 -0.949 49.7-167.0-102.4 114.9 51.2 95.2 51.9 80 80 A V E -bc 3 29A 0 -78,-2.9 -76,-2.8 -2,-0.7 2,-0.4 -0.875 15.8-158.3-115.6 144.7 49.0 92.8 53.9 81 81 A A E -bc 4 30A 0 -52,-2.2 -50,-3.6 -2,-0.4 2,-0.5 -0.935 3.0-163.7-119.9 141.2 45.4 92.7 54.8 82 82 A F E -bc 5 31A 0 -78,-3.1 -76,-2.6 -2,-0.4 2,-0.3 -0.975 17.7-158.6-123.0 111.2 43.7 90.8 57.6 83 83 A L E +bc 6 32A 0 -52,-3.3 -50,-1.9 -2,-0.5 -76,-0.2 -0.695 15.3 170.3 -96.1 145.7 39.9 90.5 57.2 84 84 A T E -b 7 0A 0 -78,-1.6 -76,-2.7 -2,-0.3 -75,-0.4 -0.963 37.8 -95.4-145.9 158.5 37.3 89.9 59.9 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.328 90.7 -9.3 -70.8 162.4 33.5 90.0 60.1 86 86 A G B S-E 9 0B 1 -77,-3.8 -77,-1.3 -79,-0.1 -78,-0.5 -0.099 129.1 -14.4 47.5-144.4 31.9 93.2 61.4 87 87 A D > - 0 0 0 446,-2.7 3,-1.5 -80,-0.2 25,-0.1 -0.778 68.2-133.4 -88.7 130.4 34.4 95.7 62.9 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.743 100.5 40.1 -54.6 -29.3 37.8 94.1 63.5 89 89 A L T 3 S+ 0 0 8 5,-0.1 2,-0.6 444,-0.1 3,-0.3 0.272 89.5 102.4-108.1 11.6 38.3 95.5 67.0 90 90 A V S < S- 0 0 0 -3,-1.5 3,-0.1 1,-0.2 26,-0.1 -0.861 101.4 -15.5-101.8 119.5 34.8 95.1 68.4 91 91 A A S S+ 0 0 45 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.838 116.9 97.9 59.2 34.5 34.2 92.2 70.8 92 92 A T S S- 0 0 20 -3,-0.3 -1,-0.3 441,-0.1 301,-0.2 -0.784 78.5-127.0-131.8 176.5 37.4 90.5 69.7 93 93 A T S > S+ 0 0 82 -2,-0.3 3,-1.5 1,-0.1 4,-0.4 0.232 77.8 110.8-107.3 13.7 40.9 90.4 71.1 94 94 A H T >> + 0 0 2 -6,-0.4 3,-1.4 1,-0.3 4,-0.6 0.731 58.8 76.3 -62.7 -21.7 42.4 91.5 67.8 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.4 2,-0.2 4,-0.6 0.897 90.2 58.1 -56.8 -35.1 43.4 94.9 69.3 96 96 A E H X> S+ 0 0 55 -3,-1.5 4,-1.4 1,-0.3 3,-0.6 0.753 91.5 69.6 -66.2 -24.4 46.2 93.1 71.0 97 97 A L H <> S+ 0 0 3 -3,-1.4 4,-1.6 -4,-0.4 -1,-0.3 0.737 89.7 62.8 -66.7 -21.3 47.5 91.9 67.6 98 98 A R H S+ 0 0 0 -4,-1.6 5,-2.6 2,-0.2 3,-0.5 0.931 110.5 47.7 -66.2 -45.7 52.7 94.2 65.0 102 102 A K H ><5S+ 0 0 100 -4,-2.6 3,-2.7 1,-0.2 -2,-0.2 0.961 109.3 51.6 -60.7 -52.7 54.4 97.1 66.6 103 103 A R H 3<5S+ 0 0 162 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.8 54.3 -57.9 -19.9 56.9 94.9 68.5 104 104 A A T 3<5S- 0 0 41 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.302 120.0-109.3 -96.5 8.6 57.7 93.3 65.1 105 105 A G T < 5S+ 0 0 45 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.781 75.7 133.5 70.2 28.7 58.5 96.6 63.4 106 106 A V < - 0 0 3 -5,-2.6 -1,-0.2 -8,-0.1 -2,-0.2 -0.946 51.1-137.2-116.5 124.0 55.3 96.6 61.3 107 107 A E E -a 2 0A 117 -106,-0.7 -104,-2.5 -2,-0.5 2,-0.3 -0.510 24.8-161.1 -75.1 144.7 53.0 99.6 61.0 108 108 A S E -a 3 0A 15 -106,-0.2 2,-0.3 -2,-0.2 -104,-0.2 -0.932 11.5-165.8-130.3 154.2 49.3 98.8 61.1 109 109 A Y E -a 4 0A 60 -106,-1.9 -104,-3.0 -2,-0.3 2,-0.5 -0.989 12.8-141.2-137.4 145.0 46.1 100.5 60.1 110 110 A V E -a 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.929 9.4-169.2-113.6 128.5 42.5 99.9 61.0 111 111 A I E -a 6 0A 4 -106,-3.1 -104,-2.3 -2,-0.5 -94,-0.1 -0.964 21.9-142.8-114.8 113.8 39.6 100.2 58.6 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.134 16.8-172.2 -72.1 167.8 36.2 100.0 60.3 113 113 A A - 0 0 0 -97,-0.1 268,-0.2 266,-0.1 -97,-0.1 -0.966 44.3 -64.7-154.1 157.4 33.0 98.3 59.1 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.215 56.2-154.8 -51.2 134.1 29.5 98.2 60.4 115 115 A S >> - 0 0 0 264,-0.3 4,-2.5 -29,-0.2 3,-1.7 -0.887 26.7-130.8-116.8 144.8 29.3 96.5 63.8 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.3 -1,-0.1 0.855 106.1 72.2 -57.7 -32.1 26.5 94.7 65.6 117 117 A Y H 34 S+ 0 0 3 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.751 112.3 23.6 -56.2 -28.9 27.4 96.9 68.5 118 118 A S H X4 S+ 0 0 0 -3,-1.7 3,-2.0 2,-0.1 -1,-0.2 0.648 109.6 73.4-109.8 -23.1 25.9 100.0 66.9 119 119 A A H >< S+ 0 0 0 -4,-2.5 3,-2.6 1,-0.3 4,-0.2 0.721 75.9 82.1 -63.1 -19.9 23.5 98.2 64.5 120 120 A V G ><>S+ 0 0 0 -4,-1.3 3,-2.4 1,-0.3 5,-0.6 0.704 70.3 83.9 -56.6 -15.3 21.3 97.5 67.5 121 121 A G G X 5S+ 0 0 1 -3,-2.0 3,-1.8 1,-0.3 -1,-0.3 0.778 74.0 70.9 -58.0 -23.9 20.2 101.1 66.9 122 122 A I G < 5S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.660 84.5 69.4 -69.0 -11.6 17.8 99.6 64.4 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.612 112.4-118.1 -79.7 -12.6 15.8 98.1 67.3 124 124 A G T < 5S+ 0 0 4 -3,-1.8 2,-0.4 1,-0.3 125,-0.2 0.412 71.0 132.5 91.1 -2.3 14.8 101.7 68.3 125 125 A L < - 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