==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-AUG-06 2I5B . COMPND 2 MOLECULE: PHOSPHOMETHYLPYRIMIDINE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.A.NEWMAN,S.K.DAS,S.E.SEDELNIKOVA,D.W.RICE . 1326 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 148 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 7.8 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 109 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 420 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 54 4.1 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 2 1 0 0 5 2 3 5 6 6 8 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 10 5 5 0 0 0 2 3 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 . 4 0 0 5 0 10 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 . 0 0 0 0 0 0 0 0 5 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 3 A M 0 0 64 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 138.4 25.2 10.9 15.4 2 4 A H - 0 0 87 27,-0.5 29,-2.7 71,-0.0 2,-0.4 -0.493 360.0-136.8 -69.3 152.8 23.7 10.5 12.0 3 5 A K E -a 31 0A 40 222,-0.2 71,-2.4 27,-0.2 72,-1.1 -0.910 20.4-174.6-124.0 141.0 21.8 7.2 11.6 4 6 A A E -ab 32 75A 0 27,-2.4 29,-1.7 -2,-0.4 2,-0.4 -0.993 10.8-150.5-134.5 146.8 21.5 4.5 8.9 5 7 A L E -ab 33 76A 0 70,-1.4 72,-2.1 -2,-0.4 2,-0.4 -0.881 5.5-163.7-107.9 141.0 19.4 1.4 8.4 6 8 A T E -ab 34 77A 0 27,-2.2 29,-2.7 -2,-0.4 2,-1.0 -0.985 6.9-162.5-121.2 124.1 20.4 -1.7 6.5 7 9 A I E +ab 35 78A 1 70,-2.9 72,-2.9 -2,-0.4 2,-0.2 -0.849 53.6 106.7 -99.6 98.1 17.7 -4.2 5.5 8 10 A A E -a 36 0A 1 27,-1.2 29,-2.5 -2,-1.0 30,-0.4 -0.818 63.1 -78.2-158.7-172.4 20.1 -7.1 4.8 9 11 A G E - 0 0 1 27,-0.2 9,-3.1 -2,-0.2 2,-0.4 -0.675 36.0-107.9-111.3 157.7 21.5 -10.5 5.8 10 12 A S E -a 39 0A 0 28,-3.0 30,-2.0 -2,-0.2 2,-0.6 -0.693 22.7-155.8 -83.5 131.2 24.0 -11.8 8.2 11 13 A D E > -a 40 0A 7 5,-0.4 3,-1.3 -2,-0.4 828,-0.3 -0.937 2.9-158.5-106.4 111.7 27.3 -13.1 6.8 12 14 A S T 3 S+ 0 0 0 28,-1.9 -1,-0.1 -2,-0.6 29,-0.1 0.815 92.4 59.3 -59.8 -28.7 28.9 -15.6 9.2 13 15 A S T 3 S- 0 0 0 27,-0.2 -1,-0.3 825,-0.1 28,-0.1 0.656 106.1-131.5 -80.6 -13.3 32.3 -15.0 7.7 14 16 A G S < S+ 0 0 0 -3,-1.3 823,-0.2 825,-0.1 -2,-0.1 0.498 80.4 92.2 90.6 4.8 32.0 -11.3 8.6 15 17 A G S S+ 0 0 0 4,-0.1 243,-0.3 821,-0.1 2,-0.2 0.638 84.6 35.2-103.8 -19.3 33.0 -9.6 5.3 16 18 A A S >> S+ 0 0 14 198,-0.1 4,-2.3 4,-0.1 3,-0.7 -0.429 98.8 16.8-121.5-167.1 29.6 -9.1 3.6 17 19 A G H 3> S- 0 0 6 1,-0.2 4,-2.9 2,-0.2 -7,-0.2 0.118 122.9 -3.9 38.4-140.1 26.0 -8.3 4.6 18 20 A I H 3> S+ 0 0 0 -9,-3.1 4,-3.3 1,-0.2 5,-0.3 0.828 136.5 53.1 -48.0 -39.7 25.2 -6.9 8.0 19 21 A Q H <> S+ 0 0 0 -3,-0.7 4,-2.9 -10,-0.3 5,-0.3 0.967 111.0 44.2 -68.4 -52.0 28.8 -7.2 9.1 20 22 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.925 115.8 50.3 -51.5 -47.6 30.1 -5.2 6.1 21 23 A D H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.957 113.9 41.3 -62.2 -53.2 27.4 -2.7 6.6 22 24 A L H X S+ 0 0 4 -4,-3.3 4,-3.1 1,-0.2 5,-0.2 0.931 115.2 51.6 -61.1 -46.3 27.9 -2.1 10.3 23 25 A K H X S+ 0 0 2 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.917 114.1 43.8 -56.3 -45.8 31.7 -2.1 9.9 24 26 A T H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.946 112.9 51.4 -64.7 -47.6 31.4 0.5 7.1 25 27 A F H <>S+ 0 0 0 -4,-3.1 5,-2.9 -5,-0.2 -2,-0.2 0.919 111.7 47.9 -56.6 -45.9 28.9 2.6 9.0 26 28 A Q H ><5S+ 0 0 1 -4,-3.1 3,-2.4 1,-0.2 -1,-0.2 0.919 106.1 55.9 -63.3 -45.6 31.1 2.7 12.1 27 29 A E H 3<5S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.869 112.4 44.7 -54.4 -35.6 34.2 3.6 10.2 28 30 A K T 3<5S- 0 0 24 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.151 118.7-112.5 -99.3 18.5 32.3 6.6 8.8 29 31 A N T < 5 + 0 0 37 -3,-2.4 -27,-0.5 1,-0.2 2,-0.5 0.846 68.9 140.6 57.3 39.0 30.8 7.5 12.2 30 32 A V < - 0 0 0 -5,-2.9 2,-0.6 -8,-0.2 -27,-0.2 -0.963 57.6-119.6-113.0 128.8 27.3 6.7 11.3 31 33 A Y E -a 3 0A 0 -29,-2.7 -27,-2.4 -2,-0.5 2,-0.3 -0.532 37.1-149.4 -68.2 109.8 25.1 4.9 13.9 32 34 A G E -a 4 0A 1 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.602 19.6-178.7 -92.7 143.5 24.1 1.6 12.3 33 35 A M E -a 5 0A 0 -29,-1.7 -27,-2.2 -2,-0.3 2,-0.4 -0.994 13.0-149.6-137.8 144.2 20.9 -0.4 12.7 34 36 A T E -a 6 0A 0 -2,-0.3 2,-0.7 782,-0.3 -27,-0.2 -0.917 17.4-164.3-121.7 133.6 20.0 -3.7 11.1 35 37 A A E -a 7 0A 0 -29,-2.7 -27,-1.2 -2,-0.4 2,-0.3 -0.939 32.8-143.5-107.6 102.0 16.9 -5.4 10.0 36 38 A L E +a 8 0A 0 -2,-0.7 -27,-0.2 -29,-0.2 27,-0.1 -0.518 27.5 173.2 -74.0 127.1 18.1 -8.9 9.6 37 39 A T E + 0 0 0 -29,-2.5 18,-2.0 1,-0.4 2,-0.3 0.702 63.8 2.4-105.1 -28.3 16.5 -10.8 6.7 38 40 A V E - C 0 54A 1 -30,-0.4 -28,-3.0 16,-0.2 2,-0.5 -0.977 57.0-133.3-152.9 153.6 18.6 -14.1 6.5 39 41 A I E -aC 10 53A 3 14,-2.7 14,-3.1 -2,-0.3 2,-0.5 -0.972 26.4-167.1-109.1 123.2 21.4 -15.9 8.3 40 42 A V E +aC 11 52A 6 -30,-2.0 -28,-1.9 -2,-0.5 2,-0.3 -0.943 7.8 178.4-112.8 130.2 24.0 -17.3 5.9 41 43 A A E - C 0 51A 0 10,-3.1 10,-3.5 -2,-0.5 2,-0.4 -0.826 21.6-136.3-120.0 165.0 26.6 -19.8 7.0 42 44 A M E - C 0 50A 3 -2,-0.3 8,-0.2 825,-0.3 7,-0.1 -0.994 23.0-124.3-124.3 125.2 29.4 -21.6 5.1 43 45 A D E > > - C 0 49A 32 6,-2.5 5,-1.5 -2,-0.4 3,-0.8 -0.545 15.1-157.7 -74.5 108.9 30.0 -25.3 5.7 44 46 A P T 3 5S+ 0 0 27 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.796 91.7 44.2 -61.5 -30.8 33.7 -25.8 6.7 45 47 A N T 3 5S+ 0 0 123 1,-0.2 -2,-0.1 2,-0.1 830,-0.0 -0.532 108.5 57.5-110.8 66.2 33.7 -29.5 5.6 46 48 A N T X 5S- 0 0 92 -3,-0.8 3,-1.1 -2,-0.4 -3,-0.2 0.025 123.7 -83.9 178.7 38.8 31.9 -29.1 2.3 47 49 A S T 3 5S- 0 0 90 -3,-0.4 -2,-0.1 1,-0.3 -4,-0.1 0.831 84.1 -59.7 55.3 42.2 34.0 -26.6 0.4 48 50 A W T 3 > - 0 0 122 -2,-0.4 4,-2.0 1,-0.1 3,-1.1 -0.197 27.6-126.4 -47.1 126.9 10.3 -15.0 9.4 57 59 A T H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 -1,-0.1 0.830 111.2 56.5 -42.2 -42.3 8.7 -12.0 7.6 58 60 A D H 3> S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.863 104.9 50.4 -59.8 -39.6 7.1 -11.0 10.9 59 61 A T H <> S+ 0 0 11 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.890 110.8 49.3 -66.7 -42.0 10.5 -10.8 12.7 60 62 A I H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.946 110.2 51.5 -60.1 -46.7 11.8 -8.6 9.8 61 63 A R H X S+ 0 0 109 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.896 108.4 51.9 -56.4 -44.3 8.7 -6.4 10.2 62 64 A A H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.920 109.5 47.8 -63.3 -46.3 9.3 -6.1 13.9 63 65 A Q H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.933 113.5 48.9 -59.1 -45.6 12.9 -5.0 13.5 64 66 A L H X>S+ 0 0 3 -4,-2.5 4,-3.6 2,-0.2 5,-0.6 0.920 106.9 56.7 -59.3 -44.7 11.8 -2.5 10.9 65 67 A A H X>S+ 0 0 25 -4,-2.9 4,-2.3 1,-0.2 5,-1.1 0.967 111.2 41.9 -50.3 -58.9 9.0 -1.2 13.2 66 68 A T H X>S+ 0 0 0 -4,-2.1 5,-0.6 1,-0.2 4,-0.6 0.886 119.7 43.9 -63.1 -38.5 11.5 -0.4 15.9 67 69 A I H X5S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.953 125.4 28.7 -70.7 -47.4 14.1 1.1 13.6 68 70 A T H <5S+ 0 0 14 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.899 131.8 31.5 -85.4 -42.5 11.8 3.2 11.3 69 71 A D H < S- 0 0 19 1,-0.1 4,-2.3 305,-0.1 3,-0.3 -0.952 76.1-123.5-142.4 144.3 12.4 -13.7 -1.0 84 86 A V H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.921 115.6 54.6 -56.5 -44.4 9.7 -11.9 -3.0 85 87 A D H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 108.5 49.3 -53.7 -40.2 7.7 -11.3 0.2 86 88 A I H > S+ 0 0 4 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.870 108.7 51.2 -72.1 -37.4 10.8 -9.7 1.7 87 89 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.930 112.3 48.5 -59.1 -42.4 11.3 -7.4 -1.3 88 90 A E H X S+ 0 0 80 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.859 110.5 49.9 -68.5 -36.9 7.7 -6.4 -0.9 89 91 A L H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.938 111.9 48.2 -64.8 -47.2 8.1 -5.7 2.7 90 92 A A H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.914 115.4 44.0 -59.9 -44.7 11.2 -3.6 2.1 91 93 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.926 113.1 51.4 -67.2 -44.2 9.5 -1.6 -0.6 92 94 A K H X S+ 0 0 87 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.880 111.0 49.1 -59.9 -39.7 6.3 -1.3 1.4 93 95 A T H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 6,-0.3 0.913 109.3 51.7 -65.7 -44.0 8.4 0.0 4.3 94 96 A I H <>S+ 0 0 7 -4,-2.1 5,-1.7 2,-0.2 4,-0.4 0.905 115.7 40.9 -61.5 -45.3 10.3 2.5 2.1 95 97 A K H ><5S+ 0 0 116 -4,-2.3 3,-1.7 3,-0.2 -2,-0.2 0.993 117.6 44.3 -64.9 -64.0 7.1 4.0 0.7 96 98 A E H 3<5S+ 0 0 133 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.820 120.2 40.1 -55.7 -38.0 5.0 4.1 3.9 97 99 A K T 3<5S- 0 0 90 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.453 103.5-132.2 -92.6 0.1 7.7 5.4 6.1 98 100 A Q T < 5 - 0 0 147 -3,-1.7 -3,-0.2 -4,-0.4 -4,-0.1 0.870 30.9-161.6 53.1 46.4 8.9 7.8 3.4 99 101 A L < - 0 0 22 -5,-1.7 3,-0.2 -6,-0.3 2,-0.2 -0.282 3.1-140.1 -65.5 140.6 12.5 6.8 3.8 100 102 A K S S+ 0 0 131 -27,-0.4 -24,-0.1 1,-0.2 -1,-0.1 -0.583 72.0 21.2 -99.2 160.4 15.2 9.2 2.4 101 103 A N S S- 0 0 48 -2,-0.2 -25,-1.9 1,-0.2 2,-0.7 0.947 76.4-165.0 45.8 67.9 18.5 8.5 0.6 102 104 A V E -d 76 0A 4 30,-0.2 32,-2.8 -3,-0.2 33,-2.0 -0.761 9.2-169.9 -90.3 109.6 17.5 5.0 -0.4 103 105 A V E -de 77 135A 0 -27,-3.2 -25,-1.8 -2,-0.7 2,-0.7 -0.884 5.8-164.7-102.7 108.5 20.5 3.0 -1.6 104 106 A I E -de 78 136A 2 31,-2.8 33,-1.9 -2,-0.8 -25,-0.1 -0.815 9.1-169.8 -99.6 110.4 19.3 -0.3 -3.2 105 107 A D - 0 0 7 -27,-2.0 2,-2.6 -2,-0.7 31,-0.1 -0.861 18.8-147.2 -95.3 105.0 22.0 -2.9 -3.6 106 108 A P - 0 0 1 0, 0.0 33,-0.1 0, 0.0 2,-0.1 -0.282 21.0-177.3 -80.9 60.3 20.2 -5.4 -5.8 107 109 A V - 0 0 35 -2,-2.6 -26,-0.4 -28,-0.2 2,-0.3 -0.337 17.7-141.8 -52.6 121.2 21.8 -8.6 -4.5 108 110 A M - 0 0 5 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.668 9.3-155.3 -92.0 148.4 20.4 -11.5 -6.6 109 111 A V S S+ 0 0 27 -2,-0.3 2,-2.7 1,-0.2 -1,-0.2 0.780 73.9 37.0 -86.0-101.1 19.5 -14.9 -5.1 110 112 A a S S- 0 0 6 277,-0.1 7,-2.8 6,-0.1 -1,-0.2 -0.198 71.7-178.5 -69.4 71.7 19.5 -17.9 -7.4 111 113 A K B +J 116 0B 133 -2,-2.7 5,-0.2 -3,-0.2 3,-0.1 -0.188 13.7 153.2 -58.7 153.4 22.4 -17.3 -9.8 112 114 A G - 0 0 16 3,-0.9 -1,-0.1 210,-0.1 211,-0.1 0.242 67.7 -32.0-143.9 -85.2 23.1 -19.9 -12.5 113 115 A A S S- 0 0 27 209,-1.0 210,-0.2 208,-0.3 -2,-0.0 0.639 118.5 -38.7-108.3 -85.1 24.8 -18.9 -15.7 114 116 A N S S+ 0 0 50 208,-0.5 2,-0.3 -3,-0.1 209,-0.1 -0.074 125.0 76.4-130.7 28.2 23.8 -15.4 -16.7 115 117 A E S S- 0 0 81 207,-0.4 -3,-0.9 -5,-0.1 2,-0.4 -0.922 78.6-119.1-134.6 157.6 20.3 -15.8 -15.5 116 118 A V B -J 111 0B 6 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.857 12.8-152.9 -97.6 134.2 18.4 -15.8 -12.1 117 119 A L S S+ 0 0 18 -7,-2.8 -6,-0.1 -2,-0.4 263,-0.1 0.378 90.8 65.4 -87.1 -0.7 16.6 -19.1 -11.4 118 120 A Y S >> S+ 0 0 0 -8,-0.2 4,-1.4 1,-0.2 3,-1.3 -0.704 70.3 178.7-120.6 73.3 14.1 -17.3 -9.2 119 121 A P H 3> S+ 0 0 38 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.810 73.7 51.0 -49.5 -47.4 12.5 -15.1 -11.9 120 122 A E H 3> S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.732 104.5 58.8 -72.1 -20.6 9.9 -13.2 -9.8 121 123 A H H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.972 110.0 42.2 -64.9 -55.7 12.6 -12.2 -7.2 122 124 A A H X S+ 0 0 2 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.877 115.4 52.2 -56.7 -41.0 14.6 -10.4 -9.9 123 125 A Q H X S+ 0 0 74 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.889 106.4 50.9 -65.2 -42.9 11.3 -9.0 -11.3 124 126 A A H X>S+ 0 0 5 -4,-2.5 4,-2.1 2,-0.2 5,-1.1 0.845 109.9 52.4 -61.7 -33.3 10.2 -7.7 -7.9 125 127 A L H X>S+ 0 0 6 -4,-1.8 5,-2.8 3,-0.2 4,-0.6 0.924 114.9 41.9 -66.5 -45.8 13.6 -6.0 -7.6 126 128 A R H <5S+ 0 0 71 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.931 125.0 32.8 -64.0 -51.3 13.0 -4.4 -11.0 127 129 A E H <5S+ 0 0 116 -4,-3.4 -3,-0.2 3,-0.1 -2,-0.2 0.687 131.4 23.0 -87.8 -20.6 9.4 -3.5 -10.6 128 130 A Q H <5S+ 0 0 58 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.721 127.5 30.3-120.1 -32.2 9.1 -2.6 -6.9 129 131 A L T >< -g 176 0A 36 36,-0.2 4,-3.7 -33,-0.1 5,-0.3 -0.415 45.0 -78.3 -91.3-176.5 27.4 -5.2 -10.5 140 142 A L H > S+ 0 0 16 36,-0.8 4,-1.8 1,-0.2 12,-0.3 0.871 132.9 41.5 -54.4 -46.1 27.8 -6.6 -14.0 141 143 A F H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.970 118.8 44.6 -62.5 -55.1 25.7 -9.7 -13.4 142 144 A E H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.844 111.8 55.0 -57.2 -40.5 23.0 -7.8 -11.4 143 145 A A H X S+ 0 0 0 -4,-3.7 4,-2.2 2,-0.2 6,-0.2 0.901 107.9 46.7 -61.7 -45.3 23.0 -5.0 -14.0 144 146 A S H X>S+ 0 0 4 -4,-1.8 4,-1.1 -5,-0.3 5,-0.9 0.832 111.9 53.0 -71.5 -30.0 22.3 -7.3 -17.0 145 147 A Q H <5S+ 0 0 19 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.930 112.7 42.5 -66.1 -46.9 19.5 -9.0 -15.0 146 148 A L H <5S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.883 119.0 44.3 -67.4 -36.7 17.8 -5.6 -14.2 147 149 A S H <5S- 0 0 18 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.616 104.9-127.0 -87.4 -15.0 18.2 -4.3 -17.7 148 150 A G T <5 + 0 0 62 -4,-1.1 -3,-0.2 1,-0.2 2,-0.1 0.645 67.3 121.4 78.3 16.9 17.2 -7.5 -19.4 149 151 A M < - 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