==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-04 1VCE . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.KUNISHIMA,K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS I . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21659.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.2 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 2 4 2 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 4 3 1 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 PARALLEL BRIDGES PER LADDER . 5 2 1 3 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 X 0 0 120 0, 0.0 106,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 46.4 44.4 -3.6 21.0 2 2 A V E -a 79 0A 12 76,-1.9 78,-2.7 73,-0.4 2,-0.4 -0.962 360.0-151.8-165.7 146.5 44.8 -0.0 22.3 3 3 A L E -ab 80 108A 0 104,-2.5 106,-2.3 -2,-0.3 2,-0.5 -0.981 13.6-161.8-122.4 128.5 42.9 2.9 24.0 4 4 A Y E -ab 81 109A 38 76,-2.5 78,-3.1 -2,-0.4 2,-0.8 -0.934 9.3-155.7-112.6 129.2 44.0 6.5 23.6 5 5 A F E -ab 82 110A 0 104,-3.0 106,-3.7 -2,-0.5 2,-0.5 -0.928 25.4-175.8-100.1 111.2 42.8 9.3 25.9 6 6 A I E -ab 83 111A 0 76,-2.1 78,-1.6 -2,-0.8 2,-0.2 -0.948 17.1-142.9-117.4 123.3 43.1 12.3 23.7 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.5 -2,-0.5 80,-0.2 -0.586 3.0-158.7 -82.2 143.5 42.5 15.9 25.0 8 8 A L - 0 0 3 76,-3.0 7,-0.4 1,-0.3 79,-0.1 0.467 37.8-131.2 -98.1 -5.6 40.8 18.4 22.6 9 9 A G B -E 86 0B 1 77,-1.7 77,-3.1 75,-0.4 -1,-0.3 -0.344 33.3 -50.5 90.9-170.7 42.0 21.5 24.3 10 10 A L S S+ 0 0 4 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.902 109.1 1.6 -78.0 -53.4 40.3 24.7 25.5 11 11 A Y S S+ 0 0 56 199,-0.2 30,-2.0 1,-0.2 31,-0.2 0.851 112.3 5.9-111.3 -55.1 38.1 26.4 22.9 12 12 A D S > S- 0 0 17 198,-0.2 3,-1.8 29,-0.1 -1,-0.2 -0.678 80.0 -85.1-127.7-176.5 37.7 24.8 19.5 13 13 A E G > S+ 0 0 38 1,-0.3 3,-0.8 28,-0.3 271,-0.1 0.667 118.6 65.2 -64.8 -16.3 38.5 21.7 17.5 14 14 A R G 3 S+ 0 0 65 1,-0.2 271,-2.7 270,-0.1 270,-0.3 0.495 79.7 79.7 -86.9 -0.5 41.9 23.2 16.6 15 15 A D G < + 0 0 6 -3,-1.8 -1,-0.2 -7,-0.4 -5,-0.2 0.447 70.0 103.9 -82.9 -0.5 43.2 23.2 20.2 16 16 A I S < S- 0 0 2 -3,-0.8 268,-2.5 97,-0.1 269,-0.3 -0.506 81.7-109.2 -75.4 150.7 43.9 19.5 19.8 17 17 A T B > -F 283 0C 1 -10,-0.5 4,-2.6 95,-0.3 266,-0.3 -0.445 19.7-115.8 -80.0 159.3 47.6 18.7 19.3 18 18 A V H > S+ 0 0 10 264,-2.5 4,-2.7 262,-0.4 5,-0.3 0.928 119.3 54.2 -57.1 -44.7 49.0 17.6 16.0 19 19 A K H > S+ 0 0 2 261,-2.6 4,-2.2 263,-0.3 5,-0.2 0.944 109.4 47.1 -54.2 -50.4 49.9 14.3 17.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-3.0 92,-0.2 -1,-0.2 0.900 111.9 50.4 -60.3 -41.9 46.3 13.9 18.9 21 21 A L H X S+ 0 0 17 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.944 111.4 46.0 -63.8 -48.4 44.9 14.6 15.5 22 22 A E H X S+ 0 0 81 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.860 116.9 45.2 -64.2 -36.2 47.1 12.2 13.6 23 23 A I H >X S+ 0 0 18 -4,-2.2 3,-1.0 -5,-0.3 4,-0.7 0.951 111.1 52.0 -71.7 -48.3 46.5 9.4 16.1 24 24 A A H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.787 105.7 58.4 -57.4 -28.2 42.7 10.1 16.3 25 25 A K H 3< S+ 0 0 107 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.818 106.0 46.2 -71.9 -32.3 42.7 9.9 12.5 26 26 A K H << S+ 0 0 167 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.458 89.3 113.9 -89.2 -3.1 44.1 6.3 12.4 27 27 A C < - 0 0 1 -4,-0.7 53,-0.2 -3,-0.4 3,-0.1 -0.455 59.4-147.9 -75.6 141.9 41.7 5.0 15.1 28 28 A D S S+ 0 0 86 51,-1.8 2,-0.4 1,-0.2 52,-0.2 0.895 85.3 22.8 -71.8 -42.9 39.0 2.4 14.4 29 29 A Y E -c 80 0A 104 50,-1.9 52,-2.7 24,-0.1 2,-0.5 -0.981 67.1-161.8-130.3 140.3 36.5 3.7 16.9 30 30 A V E +c 81 0A 8 24,-0.5 26,-2.2 -2,-0.4 2,-0.3 -0.962 10.3 176.7-128.4 118.4 36.2 7.2 18.5 31 31 A F E -cd 82 56A 7 50,-3.8 52,-3.5 -2,-0.5 2,-0.3 -0.762 6.7-179.7-111.4 161.1 34.3 8.0 21.7 32 32 A A E -cd 83 57A 0 24,-1.7 26,-3.5 -2,-0.3 2,-0.4 -0.986 17.8-151.4-156.7 159.9 34.0 11.3 23.5 33 33 A E E - d 0 58A 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.991 8.5-179.3-135.9 142.0 32.5 13.1 26.5 34 34 A F + 0 0 57 24,-0.5 5,-0.1 -2,-0.4 50,-0.1 -0.147 62.7 88.3-133.3 37.5 31.5 16.7 26.8 35 35 A Y S S+ 0 0 15 23,-0.1 135,-0.4 1,-0.1 3,-0.1 0.566 75.4 64.5-110.6 -14.5 30.2 16.9 30.3 36 36 A T S S- 0 0 15 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.722 118.6 -8.2 -81.8 -20.3 33.4 17.7 32.2 37 37 A S - 0 0 5 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.972 69.9-103.0-162.9 174.6 33.8 21.0 30.5 38 38 A L - 0 0 32 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.936 11.2-163.0-116.5 130.4 32.5 23.4 27.8 39 39 A X > - 0 0 14 -2,-0.5 3,-1.3 1,-0.1 -28,-0.2 -0.783 14.4-178.7-108.3 83.4 34.2 24.0 24.4 40 40 A A T 3 S+ 0 0 39 -2,-0.8 -1,-0.1 -30,-0.3 -28,-0.1 0.566 70.7 59.2 -60.5 -13.9 32.4 27.3 23.5 41 41 A G T 3 S+ 0 0 13 -30,-2.0 2,-0.3 -31,-0.1 -28,-0.3 0.225 105.1 31.2-106.3 18.0 34.1 27.6 20.1 42 42 A T < - 0 0 21 -3,-1.3 2,-0.3 -31,-0.2 -3,-0.1 -0.884 60.8-132.8-154.8-175.3 33.2 24.5 18.3 43 43 A T > - 0 0 69 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.916 35.0-104.9-142.1 166.6 30.6 21.7 17.7 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 119.6 57.3 -60.6 -40.2 30.6 17.9 17.4 45 45 A G H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.882 105.7 48.1 -58.6 -41.4 30.2 18.3 13.7 46 46 A R H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 112.2 49.6 -68.5 -36.7 33.4 20.3 13.3 47 47 A I H X S+ 0 0 4 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.930 110.5 49.4 -66.8 -46.5 35.3 17.9 15.4 48 48 A Q H X>S+ 0 0 45 -4,-2.8 4,-1.8 1,-0.2 5,-1.6 0.904 111.4 50.6 -59.0 -41.0 34.1 14.9 13.4 49 49 A K H <5S+ 0 0 182 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 108.6 52.2 -65.5 -38.2 35.0 16.7 10.2 50 50 A L H <5S+ 0 0 50 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.2 33.1 -66.3 -43.1 38.5 17.4 11.5 51 51 A I H <5S- 0 0 7 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.642 105.6-127.6 -88.1 -14.8 39.4 13.9 12.5 52 52 A G T <5S+ 0 0 58 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.884 71.7 95.9 71.5 40.4 37.3 12.4 9.6 53 53 A K S - 0 0 38 -2,-0.3 4,-1.9 -26,-0.1 5,-0.2 -0.384 34.4-100.6 -86.6 170.2 27.1 10.6 29.0 60 60 A R H > S+ 0 0 113 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.884 125.6 50.6 -59.1 -37.3 28.6 10.8 32.5 61 61 A E H >>S+ 0 0 128 1,-0.2 4,-2.2 2,-0.2 5,-0.9 0.881 104.8 55.5 -69.1 -38.5 26.7 7.6 33.4 62 62 A D H >5S+ 0 0 47 3,-0.2 4,-1.1 2,-0.2 7,-0.2 0.917 118.0 36.3 -58.9 -42.6 28.0 5.7 30.3 63 63 A V H X5S+ 0 0 2 -4,-1.9 4,-1.7 3,-0.2 5,-0.2 0.985 122.5 38.9 -74.0 -64.1 31.5 6.5 31.5 64 64 A E H <5S+ 0 0 84 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.826 132.9 26.9 -59.8 -32.4 31.3 6.3 35.2 65 65 A L H <5S+ 0 0 103 -4,-2.2 -3,-0.2 -5,-0.4 -1,-0.2 0.779 136.7 18.7-102.8 -30.4 29.0 3.3 35.2 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-1.9 1,-0.3 5,-1.6 0.920 85.0 50.1 -51.6 -47.4 33.1 2.5 30.4 68 68 A E H 345S+ 0 0 70 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.619 114.7 44.0 -67.9 -14.4 34.2 -1.1 30.6 69 69 A N H <45S+ 0 0 103 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.677 124.7 30.5-102.5 -22.9 31.1 -2.4 28.9 70 70 A I H <5S+ 0 0 25 -4,-2.2 4,-0.4 -8,-0.2 -3,-0.2 0.873 132.0 18.8-100.4 -54.5 30.9 0.2 26.1 71 71 A V T >X5S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-0.8 0.940 116.8 55.3 -87.1 -54.3 34.5 1.3 25.3 72 72 A L H 3>4 S+ 0 0 67 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.928 106.9 44.7 -56.2 -42.6 35.3 -4.2 24.7 74 74 A L H X> S+ 0 0 49 -3,-0.8 3,-0.9 -4,-0.4 4,-0.5 0.848 102.3 65.1 -68.2 -35.5 36.2 -2.6 21.4 75 75 A A H 3< S+ 0 0 0 -4,-1.4 -73,-0.4 1,-0.2 -1,-0.2 0.616 88.0 75.2 -63.9 -10.7 39.7 -1.7 22.5 76 76 A K T << S+ 0 0 76 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.921 115.7 11.5 -68.7 -45.5 40.4 -5.4 22.7 77 77 A E T <4 S+ 0 0 173 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 0.064 128.6 43.8-122.5 25.7 40.6 -5.9 18.9 78 78 A N S < S- 0 0 44 -4,-0.5 -76,-1.9 -76,-0.1 2,-0.7 -0.953 83.4 -97.1-156.4 172.8 40.8 -2.4 17.6 79 79 A D E -a 2 0A 58 -2,-0.3 -50,-1.9 -78,-0.2 -51,-1.8 -0.899 46.7-176.0-100.5 112.7 42.4 1.1 18.1 80 80 A V E -ac 3 29A 0 -78,-2.7 -76,-2.5 -2,-0.7 2,-0.4 -0.883 12.4-156.5-115.1 144.7 39.9 3.2 20.1 81 81 A A E -ac 4 30A 0 -52,-2.7 -50,-3.8 -2,-0.4 2,-0.5 -0.932 4.1-159.0-120.5 142.9 40.1 6.8 21.1 82 82 A F E -ac 5 31A 0 -78,-3.1 -76,-2.1 -2,-0.4 -50,-0.3 -0.961 17.6-155.7-120.9 108.3 38.3 8.6 24.0 83 83 A L E +ac 6 32A 0 -52,-3.5 -50,-1.7 -2,-0.5 -76,-0.2 -0.619 14.9 176.5 -89.1 146.2 38.1 12.4 23.4 84 84 A T E -a 7 0A 0 -78,-1.6 -76,-3.0 -2,-0.3 -75,-0.4 -0.993 34.8-100.7-146.3 148.5 37.8 14.9 26.3 85 85 A P S S- 0 0 1 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.351 91.0 -13.9 -66.0 155.9 37.7 18.7 26.6 86 86 A G B S-E 9 0B 2 -77,-3.1 -77,-1.7 -79,-0.1 -2,-0.2 -0.237 129.9 -10.4 54.3-134.5 40.9 20.2 27.8 87 87 A D > - 0 0 0 446,-1.9 3,-2.0 -80,-0.2 25,-0.1 -0.900 68.0-132.7-100.5 126.3 43.4 17.7 29.1 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.725 102.1 38.7 -45.7 -34.8 41.9 14.2 29.7 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.5 295,-0.1 3,-0.4 0.327 90.6 105.3-105.6 9.2 43.3 13.8 33.2 90 90 A V S < S- 0 0 0 -3,-2.0 -3,-0.1 1,-0.2 3,-0.1 -0.797 98.2 -18.3 -97.8 125.5 42.9 17.3 34.6 91 91 A A S S+ 0 0 42 -2,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.838 116.3 96.8 53.1 36.6 40.2 18.0 37.2 92 92 A T S S- 0 0 25 -3,-0.4 -1,-0.2 441,-0.1 3,-0.2 -0.763 81.2-122.3-136.5-178.2 38.3 14.9 36.1 93 93 A T S > S+ 0 0 90 -2,-0.2 3,-0.8 1,-0.1 4,-0.3 0.077 79.2 111.4-115.1 18.9 38.1 11.4 37.5 94 94 A H T >> + 0 0 1 -6,-0.3 3,-1.6 1,-0.2 4,-0.5 0.725 56.2 76.6 -66.5 -24.5 39.3 9.9 34.2 95 95 A A H >> S+ 0 0 15 1,-0.3 3,-1.9 2,-0.2 4,-0.6 0.909 89.8 59.5 -53.4 -40.1 42.6 8.8 35.6 96 96 A E H X> S+ 0 0 53 -3,-0.8 4,-1.4 1,-0.3 3,-0.7 0.752 90.3 70.4 -60.9 -24.6 40.8 5.9 37.2 97 97 A L H <> S+ 0 0 4 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.3 0.756 89.5 61.9 -66.0 -22.6 39.6 4.7 33.8 98 98 A R H <>S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 3,-0.6 0.944 110.0 49.0 -60.1 -46.4 41.6 -0.4 31.0 102 102 A K H ><5S+ 0 0 97 -4,-2.7 3,-2.8 1,-0.2 -2,-0.2 0.963 108.6 50.7 -57.8 -55.0 44.5 -2.3 32.7 103 103 A R H 3<5S+ 0 0 156 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.704 108.2 55.1 -58.7 -18.6 42.3 -4.9 34.4 104 104 A A T <<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.382 120.3-110.1 -93.8 2.2 40.6 -5.5 31.1 105 105 A G T < 5S+ 0 0 44 -3,-2.8 2,-0.5 1,-0.2 -3,-0.2 0.728 74.0 138.4 76.5 21.6 43.9 -6.2 29.4 106 106 A V < - 0 0 5 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.890 48.9-138.2-106.5 124.7 43.8 -3.0 27.4 107 107 A E - 0 0 116 -2,-0.5 -104,-2.5 -106,-0.4 2,-0.4 -0.580 25.0-161.5 -76.2 138.1 46.9 -0.9 26.9 108 108 A S E -b 3 0A 16 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.938 12.7-168.9-127.7 149.6 46.3 2.9 27.2 109 109 A Y E -b 4 0A 54 -106,-2.3 -104,-3.0 -2,-0.4 2,-0.5 -0.966 15.2-138.3-132.3 149.1 48.1 6.0 26.2 110 110 A V E -b 5 0A 11 -2,-0.3 2,-0.7 -106,-0.2 -104,-0.2 -0.938 9.2-166.4-114.4 124.3 47.5 9.6 27.1 111 111 A I E -b 6 0A 4 -106,-3.7 -104,-2.5 -2,-0.5 -94,-0.1 -0.925 21.1-145.3-108.8 109.2 47.7 12.5 24.6 112 112 A H + 0 0 10 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.180 19.4 179.1 -71.6 165.1 47.8 15.8 26.4 113 113 A A - 0 0 0 266,-0.1 268,-0.3 -97,-0.1 266,-0.1 -0.920 45.7 -56.7-153.8 170.0 46.2 19.1 25.2 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.305 56.0-160.9 -57.1 140.1 45.9 22.7 26.6 115 115 A S >> - 0 0 0 264,-0.3 4,-2.3 -29,-0.2 3,-0.9 -0.922 28.8-128.4-124.4 149.2 44.3 22.8 30.0 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.831 106.4 71.8 -63.4 -29.6 42.7 25.7 31.9 117 117 A Y H 34 S+ 0 0 11 1,-0.2 -1,-0.2 2,-0.2 -26,-0.0 0.865 112.6 24.5 -55.3 -38.9 44.9 24.7 34.8 118 118 A S H X4 S+ 0 0 0 -3,-0.9 3,-2.1 1,-0.1 -1,-0.2 0.711 109.8 73.2 -98.1 -24.9 48.0 26.1 32.9 119 119 A A H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.3 -2,-0.2 0.730 76.1 82.8 -61.0 -18.9 46.1 28.5 30.7 120 120 A V G ><> + 0 0 2 -4,-1.3 3,-2.4 1,-0.3 5,-0.5 0.704 68.7 84.9 -58.4 -16.2 45.6 30.7 33.8 121 121 A G G X 5S+ 0 0 1 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.795 73.9 70.3 -56.6 -26.7 49.1 31.9 33.0 122 122 A I G < 5S+ 0 0 5 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.619 83.9 70.0 -68.4 -10.2 47.5 34.4 30.6 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.571 110.5-120.2 -81.5 -8.6 46.2 36.3 33.7 124 124 A G T < 5S+ 0 0 3 -3,-1.9 2,-0.4 1,-0.3 125,-0.2 0.396 71.9 130.8 86.2 -5.4 49.7 37.4 34.5 125 125 A L S - 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