==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-OCT-08 3EXR . COMPND 2 MOLECULE: RMPD (HEXULOSE-6-PHOSPHATE SYNTHASE); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR G.L.LI,X.LIU,L.F.LI,X.D.SU . 860 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35508.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 646 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 65 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 315 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 4 0 2 4 0 12 0 4 0 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 12 8 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 K 0 0 163 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.5 24.2 36.4 48.9 2 4 A Q - 0 0 138 217,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.915 360.0 -98.0-133.4 164.2 24.1 36.6 52.7 3 5 A L - 0 0 50 -2,-0.3 212,-0.1 1,-0.1 211,-0.0 -0.373 55.3 -82.3 -70.5 156.4 21.8 35.3 55.4 4 6 A P - 0 0 5 0, 0.0 186,-0.3 0, 0.0 185,-0.1 -0.385 53.5-115.5 -54.5 142.2 19.3 37.7 57.0 5 7 A N E -a 190 0A 13 184,-2.4 186,-2.9 -3,-0.1 2,-0.6 -0.439 12.8-135.7 -75.7 150.4 20.9 39.9 59.6 6 8 A L E -a 191 0A 0 184,-0.2 24,-2.6 -2,-0.1 25,-1.7 -0.974 28.8-174.2-101.3 122.1 20.0 39.7 63.3 7 9 A Q E -ab 192 31A 0 184,-2.9 186,-3.1 -2,-0.6 2,-0.5 -0.929 14.5-150.1-116.2 140.3 19.7 43.3 64.6 8 10 A V E -ab 193 32A 2 23,-2.4 25,-2.7 -2,-0.4 2,-0.4 -0.956 9.6-149.9-111.5 125.8 19.1 44.3 68.2 9 11 A A E - b 0 33A 8 184,-2.7 2,-0.7 -2,-0.5 25,-0.2 -0.814 1.1-155.3 -89.6 134.3 17.2 47.5 68.9 10 12 A L E + b 0 34A 0 23,-2.4 25,-2.4 -2,-0.4 28,-0.4 -0.913 24.9 161.8-109.6 100.4 18.1 49.4 72.1 11 13 A D + 0 0 81 -2,-0.7 -1,-0.1 23,-0.1 23,-0.1 0.108 23.3 142.8-109.9 22.4 15.0 51.5 73.0 12 14 A H - 0 0 45 1,-0.1 29,-0.2 2,-0.1 -2,-0.1 -0.155 54.6-133.1 -65.4 152.5 15.9 52.2 76.7 13 15 A S S S+ 0 0 40 28,-0.1 2,-0.3 27,-0.1 -1,-0.1 0.341 86.3 44.1 -88.8 4.8 15.1 55.5 78.3 14 16 A N S > S- 0 0 74 1,-0.1 4,-1.5 28,-0.0 -2,-0.1 -0.961 82.2-115.4-148.1 161.7 18.6 55.8 79.8 15 17 A L H > S+ 0 0 78 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.920 110.6 55.3 -64.7 -45.1 22.2 55.3 78.9 16 18 A K H > S+ 0 0 156 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 105.6 52.1 -60.9 -38.0 22.9 52.4 81.3 17 19 A G H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 112.0 45.7 -66.9 -41.0 20.0 50.3 79.9 18 20 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.933 116.2 44.6 -64.2 -47.0 21.2 50.6 76.3 19 21 A I H X S+ 0 0 44 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.940 114.2 48.7 -68.6 -42.2 24.9 49.9 77.1 20 22 A T H X S+ 0 0 100 -4,-2.7 4,-1.6 -5,-0.3 -1,-0.2 0.931 114.1 45.7 -65.0 -42.8 24.1 47.0 79.4 21 23 A A H X S+ 0 0 8 -4,-2.2 4,-1.2 -5,-0.3 5,-0.2 0.919 112.2 52.0 -65.0 -43.5 21.8 45.4 76.8 22 24 A A H >X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 3,-0.6 0.923 109.6 48.3 -58.9 -45.5 24.3 46.0 74.0 23 25 A V H 3< S+ 0 0 88 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.860 107.0 58.5 -64.5 -34.2 27.1 44.4 75.8 24 26 A S H 3< S+ 0 0 41 -4,-1.6 180,-0.3 -5,-0.2 -1,-0.2 0.773 125.7 14.6 -65.5 -31.7 24.9 41.4 76.7 25 27 A V H XX S+ 0 0 1 -4,-1.2 3,-2.0 -3,-0.6 4,-0.7 0.500 93.3 105.0-120.7 -10.7 24.1 40.5 73.0 26 28 A G G >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -3,-0.1 0.817 80.1 51.0 -48.7 -46.1 26.6 42.4 70.9 27 29 A N G 34 S+ 0 0 132 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.727 111.7 49.6 -66.8 -21.0 28.9 39.5 69.9 28 30 A E G <4 S+ 0 0 46 -3,-2.0 -1,-0.2 2,-0.0 2,-0.2 0.539 101.9 70.0 -97.0 -9.5 26.0 37.4 68.8 29 31 A V << - 0 0 2 -3,-1.0 -22,-0.2 -4,-0.7 3,-0.1 -0.652 64.5-144.9-109.9 165.0 24.2 39.9 66.5 30 32 A D S S+ 0 0 48 -24,-2.6 28,-1.6 1,-0.3 2,-0.4 0.677 85.8 30.8 -95.3 -29.4 25.1 41.5 63.2 31 33 A V E -bc 7 58A 0 -25,-1.7 -23,-2.4 26,-0.2 2,-0.4 -1.000 61.5-159.5-138.4 134.8 23.6 44.9 63.7 32 34 A I E -bc 8 59A 0 26,-2.7 28,-2.3 -2,-0.4 2,-0.5 -0.973 15.0-160.5-117.0 130.4 23.2 47.1 66.9 33 35 A E E -bc 9 60A 7 -25,-2.7 -23,-2.4 -2,-0.4 2,-0.9 -0.933 17.3-147.7-120.5 123.1 20.7 50.0 66.8 34 36 A A E -bc 10 61A 0 26,-2.8 28,-2.4 -2,-0.5 -23,-0.1 -0.807 36.8-137.8 -80.7 106.4 20.5 53.0 69.1 35 37 A G >> - 0 0 0 -25,-2.4 4,-2.7 -2,-0.9 3,-0.5 -0.240 13.3-112.7 -74.0 159.7 16.7 53.4 69.1 36 38 A T H 3> S+ 0 0 19 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.877 115.8 55.5 -59.5 -42.6 14.9 56.8 68.9 37 39 A V H 3> S+ 0 0 12 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.890 113.2 43.3 -56.2 -40.2 13.5 56.6 72.4 38 40 A C H X> S+ 0 0 0 -3,-0.5 4,-2.8 -28,-0.4 3,-0.6 0.933 112.2 50.6 -73.1 -48.3 17.1 56.2 73.7 39 41 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.3 437,-0.2 0.900 108.0 53.2 -58.9 -41.7 18.7 58.9 71.4 40 42 A L H 3< S+ 0 0 6 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.780 116.1 42.2 -64.3 -26.0 16.1 61.5 72.4 41 43 A Q H << S+ 0 0 28 -4,-0.8 436,-1.1 -3,-0.6 437,-0.4 0.857 131.6 17.1 -81.1 -42.1 17.0 60.7 76.0 42 44 A V H < S- 0 0 38 -4,-2.8 3,-0.4 434,-0.2 -3,-0.2 0.594 94.6-134.0-116.0 -14.2 20.8 60.5 75.9 43 45 A G >< - 0 0 0 -4,-2.5 3,-0.8 -5,-0.4 431,-0.3 -0.254 45.6 -50.9 82.4-170.2 21.9 62.1 72.6 44 46 A S T >> S+ 0 0 0 430,-1.1 3,-1.2 1,-0.2 4,-1.0 0.513 109.3 88.1 -88.5 -8.4 24.4 60.9 70.1 45 47 A E H 3> S+ 0 0 126 429,-0.5 4,-2.2 -3,-0.4 3,-0.3 0.877 81.4 67.5 -59.9 -30.9 27.4 60.0 72.3 46 48 A L H <> S+ 0 0 1 -3,-0.8 4,-2.7 1,-0.2 -1,-0.3 0.877 94.0 57.1 -51.8 -41.0 25.8 56.6 72.7 47 49 A V H <> S+ 0 0 0 -3,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.923 108.1 46.4 -59.2 -44.7 26.5 55.9 69.0 48 50 A E H X S+ 0 0 94 -4,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.876 110.4 52.3 -65.1 -39.2 30.2 56.6 69.6 49 51 A V H X S+ 0 0 46 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.924 110.2 49.2 -62.8 -43.2 30.3 54.4 72.7 50 52 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.889 109.3 51.9 -64.5 -39.9 28.7 51.5 70.7 51 53 A R H < S+ 0 0 48 -4,-2.0 -1,-0.2 28,-0.3 -2,-0.2 0.889 109.7 49.8 -62.7 -39.1 31.3 52.0 67.9 52 54 A S H < S+ 0 0 99 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.901 114.2 43.8 -65.2 -44.9 34.1 51.8 70.5 53 55 A L H < S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 127.9 30.1 -67.1 -32.4 32.6 48.6 72.0 54 56 A F >< + 0 0 16 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.2 -0.712 65.7 171.9-133.7 73.6 31.9 47.1 68.6 55 57 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.784 82.7 35.7 -58.2 -27.4 34.4 48.3 65.9 56 58 A D T 3 S+ 0 0 150 2,-0.1 2,-0.3 0, 0.0 -5,-0.1 0.112 93.7 101.4-119.7 18.8 33.2 45.9 63.2 57 59 A K S < S- 0 0 42 -3,-1.4 2,-0.4 -6,-0.1 -26,-0.2 -0.715 79.3-105.8 -99.2 154.2 29.5 45.7 63.8 58 60 A I E -c 31 0A 35 -28,-1.6 -26,-2.7 -2,-0.3 2,-0.4 -0.668 39.1-158.3 -74.6 131.7 26.9 47.6 61.8 59 61 A I E -c 32 0A 0 -2,-0.4 23,-2.8 21,-0.2 24,-1.9 -0.969 4.6-158.9-119.6 130.9 25.5 50.4 63.9 60 62 A V E -cd 33 83A 0 -28,-2.3 -26,-2.8 -2,-0.4 2,-0.7 -0.909 8.8-156.3-109.8 127.1 22.2 52.1 63.3 61 63 A A E -cd 34 84A 0 22,-2.6 2,-1.8 -2,-0.5 24,-1.6 -0.931 14.6-157.3 -97.5 106.8 21.3 55.6 64.6 62 64 A D E + 0 0 4 -28,-2.4 -23,-0.2 -2,-0.7 22,-0.1 -0.515 37.9 144.7 -89.4 74.1 17.5 55.4 64.7 63 65 A T E - 0 0 5 -2,-1.8 -1,-0.2 22,-0.2 3,-0.2 0.628 48.4-144.2 -85.9 -15.6 16.8 59.1 64.5 64 66 A K E - 0 0 22 -3,-0.2 22,-0.3 1,-0.2 23,-0.1 0.908 30.5-154.0 48.6 42.9 13.6 58.8 62.4 65 67 A C E + d 0 86A 4 20,-2.2 22,-1.2 1,-0.1 25,-0.3 -0.221 30.6 172.3 -55.2 127.1 14.8 62.0 60.8 66 68 A A + 0 0 5 1,-0.3 25,-0.5 20,-0.2 2,-0.3 0.596 64.9 3.8-107.3 -21.1 12.1 64.2 59.3 67 69 A D S S+ 0 0 32 1,-0.1 -1,-0.3 23,-0.1 5,-0.2 -0.953 107.7 46.8-162.8 166.7 14.0 67.4 58.4 68 70 A A > + 0 0 37 -2,-0.3 4,-2.7 -3,-0.1 5,-0.3 0.929 64.4 172.8 52.5 49.3 17.6 68.9 58.4 69 71 A G H > + 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.868 68.7 50.5 -59.3 -41.4 18.7 65.6 56.8 70 72 A G H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 113.9 44.8 -63.5 -42.1 22.2 66.7 56.1 71 73 A T H > S+ 0 0 64 -3,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.937 114.9 44.9 -70.0 -47.8 22.8 67.9 59.6 72 74 A V H X S+ 0 0 4 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.917 116.0 48.3 -67.1 -40.9 21.3 65.0 61.5 73 75 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.3 5,-0.2 0.949 113.6 46.6 -62.6 -49.8 23.1 62.4 59.2 74 76 A K H X S+ 0 0 120 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.927 109.7 55.2 -56.8 -45.8 26.4 64.2 59.6 75 77 A N H < S+ 0 0 20 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.860 116.0 36.1 -57.4 -39.0 25.9 64.4 63.4 76 78 A N H <>S+ 0 0 1 -4,-1.9 5,-2.1 2,-0.2 4,-0.4 0.799 113.2 57.2 -86.6 -28.7 25.4 60.7 63.7 77 79 A A H ><5S+ 0 0 5 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.873 103.2 54.2 -67.5 -38.3 28.0 59.7 61.0 78 80 A V T 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.5 55.7 -67.5 -22.6 30.8 61.5 62.8 79 81 A R T 3 5S- 0 0 64 -4,-0.4 -28,-0.3 -3,-0.2 -1,-0.3 0.597 131.5 -95.2 -79.0 -14.2 29.9 59.4 65.9 80 82 A G T < 5 + 0 0 19 -3,-1.1 -3,-0.2 -4,-0.4 -21,-0.2 0.496 67.9 157.1 112.0 7.9 30.4 56.3 63.8 81 83 A A < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 -21,-0.2 -0.331 24.3-170.8 -62.0 145.2 26.9 55.3 62.5 82 84 A D S S+ 0 0 2 -23,-2.8 29,-2.0 1,-0.3 2,-0.4 0.828 74.4 27.5 -93.6 -48.8 26.6 53.2 59.4 83 85 A W E -de 60 111A 10 -24,-1.9 -22,-2.6 27,-0.2 2,-0.4 -0.897 64.4-170.1-117.5 142.5 22.8 53.4 58.9 84 86 A M E -de 61 112A 0 27,-1.9 29,-2.4 -2,-0.4 2,-0.3 -0.996 18.4-129.8-128.5 142.0 20.4 56.1 59.9 85 87 A T E - e 0 113A 0 -24,-1.6 -20,-2.2 -2,-0.4 2,-0.4 -0.671 15.4-167.3 -86.5 142.3 16.6 56.1 59.7 86 88 A C E -de 65 114A 0 27,-2.7 29,-2.8 -2,-0.3 -20,-0.2 -0.984 29.3-116.5-117.7 138.3 14.4 58.7 58.2 87 89 A I E > - e 0 115A 1 -22,-1.2 3,-1.9 -2,-0.4 29,-0.1 -0.422 27.4-117.6 -65.1 147.5 10.7 58.8 58.8 88 90 A C T 3 S+ 0 0 11 27,-1.7 -1,-0.1 1,-0.3 28,-0.1 0.688 111.5 70.0 -66.0 -17.3 8.8 58.2 55.6 89 91 A S T 3 S+ 0 0 14 26,-0.2 -1,-0.3 462,-0.1 -23,-0.1 0.636 74.8 106.6 -66.5 -27.0 7.2 61.7 56.0 90 92 A A S < S- 0 0 6 -3,-1.9 -23,-0.1 -25,-0.3 -24,-0.1 -0.350 77.1-114.2 -56.3 139.6 10.6 63.2 55.3 91 93 A T > - 0 0 53 -25,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.267 23.2-106.9 -71.8 165.1 10.7 64.8 51.8 92 94 A I H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.926 121.0 52.3 -60.0 -46.5 12.9 63.6 49.0 93 95 A P H > S+ 0 0 94 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.928 110.7 48.3 -56.2 -41.5 15.3 66.6 49.3 94 96 A T H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.932 113.5 46.7 -61.9 -47.1 15.6 65.8 53.1 95 97 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.919 113.3 48.8 -63.7 -41.5 16.3 62.1 52.4 96 98 A K H X S+ 0 0 82 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.909 110.2 51.1 -63.4 -41.8 18.8 62.9 49.6 97 99 A A H X S+ 0 0 42 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.901 111.5 48.3 -63.6 -37.0 20.6 65.4 51.9 98 100 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.935 112.4 48.3 -68.5 -45.5 20.9 62.8 54.6 99 101 A R H X S+ 0 0 51 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.921 111.5 49.8 -59.7 -46.4 22.1 60.1 52.2 100 102 A K H X S+ 0 0 131 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.901 112.7 47.7 -60.2 -40.7 24.8 62.5 50.8 101 103 A A H X S+ 0 0 19 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.896 112.8 45.8 -69.6 -40.3 26.0 63.4 54.2 102 104 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 8,-0.2 0.892 113.9 50.0 -73.4 -35.3 26.3 59.9 55.6 103 105 A E H < S+ 0 0 75 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.832 104.8 59.2 -66.4 -34.5 28.0 58.7 52.4 104 106 A D H < S+ 0 0 131 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.907 117.6 30.1 -63.2 -40.4 30.5 61.6 52.6 105 107 A I H < S+ 0 0 78 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.838 135.6 28.4 -86.1 -33.6 31.7 60.5 56.0 106 108 A N X + 0 0 27 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 -0.685 64.6 163.3-130.4 71.7 31.1 56.7 55.6 107 109 A P T 4 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.849 74.6 54.3 -61.6 -32.3 31.4 55.9 51.9 108 110 A D T 4 S+ 0 0 153 1,-0.1 -5,-0.1 -5,-0.0 -2,-0.1 0.860 131.8 2.2 -71.7 -40.6 31.9 52.1 52.5 109 111 A K T 4 S+ 0 0 76 -3,-0.2 -1,-0.1 -7,-0.1 -6,-0.1 0.526 87.9 131.5-126.6 -12.6 28.8 51.5 54.6 110 112 A G < + 0 0 6 -4,-2.5 2,-0.3 -8,-0.2 -27,-0.2 -0.240 29.9 151.5 -58.6 124.3 26.8 54.7 54.9 111 113 A E E -e 83 0A 44 -29,-2.0 -27,-1.9 -9,-0.1 2,-0.3 -0.993 39.6-129.3-151.7 155.4 23.0 54.4 54.1 112 114 A I E -e 84 0A 3 -2,-0.3 23,-0.5 -29,-0.2 2,-0.4 -0.802 18.9-160.1-102.0 143.8 19.6 55.7 54.9 113 115 A Q E -e 85 0A 0 -29,-2.4 -27,-2.7 -2,-0.3 2,-0.6 -0.995 15.8-132.1-122.7 135.9 16.7 53.5 55.9 114 116 A V E -ef 86 136A 0 21,-2.7 23,-3.2 -2,-0.4 2,-0.5 -0.773 13.5-145.2 -93.5 119.0 13.0 54.5 55.6 115 117 A E E -ef 87 137A 5 -29,-2.8 -27,-1.7 -2,-0.6 2,-0.7 -0.720 18.0-138.0 -81.6 118.9 10.9 53.9 58.7 116 118 A L + 0 0 10 21,-2.0 23,-0.4 -2,-0.5 2,-0.3 -0.764 37.9 150.6 -93.5 108.1 7.4 53.0 57.5 117 119 A Y - 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0 0 57 -25,-0.4 4,-2.6 -2,-0.2 5,-0.2 -0.186 21.6-107.2 -75.9 167.1 9.4 -3.9 23.6 311 94 B I H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.908 120.6 53.1 -64.0 -44.1 8.0 -1.4 21.1 312 95 B P H > S+ 0 0 93 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 110.5 48.9 -57.5 -39.9 4.6 -3.1 21.2 313 96 B T H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.937 113.4 45.9 -60.1 -48.5 4.6 -2.8 25.0 314 97 B M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.896 113.1 49.6 -62.8 -43.1 5.6 0.9 24.9 315 98 B K H X S+ 0 0 97 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.903 110.7 49.8 -61.3 -43.8 3.0 1.6 22.2 316 99 B A H X S+ 0 0 42 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.903 111.9 49.6 -64.6 -38.6 0.3 -0.1 24.2 317 100 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.938 111.3 47.7 -61.2 -47.6 1.4 2.0 27.2 318 101 B R H X S+ 0 0 36 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.908 112.2 49.1 -63.0 -43.7 1.3 5.3 25.3 319 102 B K H X S+ 0 0 121 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.904 111.6 49.6 -62.7 -43.5 -2.1 4.7 23.8 320 103 B A H X S+ 0 0 19 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.919 113.6 44.2 -62.4 -45.8 -3.6 3.7 27.2 321 104 B I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 8,-0.2 0.901 114.2 50.5 -70.3 -34.0 -2.2 6.8 29.0 322 105 B E H < S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.854 104.0 59.8 -67.1 -35.2 -3.3 9.0 26.0 323 106 B D H < S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.934 118.4 29.0 -56.7 -46.8 -6.8 7.5 26.1 324 107 B I H < S+ 0 0 71 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.833 135.5 28.9 -82.6 -36.7 -7.3 8.7 29.7 325 108 B N X + 0 0 28 -4,-2.7 4,-3.0 -5,-0.2 3,-0.4 -0.591 63.8 162.6-130.2 65.3 -5.1 11.8 29.7 326 109 B P T 4 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.831 75.1 55.0 -55.1 -34.1 -5.0 13.2 26.1 327 110 B D T 4 S- 0 0 155 1,-0.1 -5,-0.1 -5,-0.0 -2,-0.1 0.870 132.7 -1.0 -69.9 -39.6 -3.7 16.6 27.2 328 111 B K T 4 S+ 0 0 83 -3,-0.4 -1,-0.1 -7,-0.1 2,-0.1 0.480 86.9 133.4-131.0 -9.3 -0.6 15.4 29.1 329 112 B G < + 0 0 6 -4,-3.0 2,-0.3 -8,-0.2 -27,-0.2 -0.290 30.4 154.6 -62.5 121.0 -0.4 11.6 29.0 330 113 B E E -m 302 0B 41 -29,-2.1 -27,-2.0 -2,-0.1 2,-0.3 -0.995 39.6-131.2-146.1 155.2 3.1 10.4 28.1 331 114 B I E -m 303 0B 2 -2,-0.3 23,-0.4 -29,-0.2 2,-0.4 -0.794 20.2-161.6 -98.8 145.3 5.6 7.6 28.4 332 115 B Q E -m 304 0B 0 -29,-2.2 -27,-2.6 -2,-0.3 2,-0.6 -0.991 17.3-128.8-125.8 138.0 9.2 8.2 29.5 333 116 B V E -mn 305 355B 0 21,-2.4 23,-3.1 -2,-0.4 2,-0.6 -0.785 12.9-145.8 -95.7 119.4 11.9 5.7 28.9 334 117 B E E -mn 306 356B 4 -29,-2.9 -27,-2.0 -2,-0.6 2,-0.8 -0.748 17.3-140.7 -83.2 120.3 14.1 4.7 31.9 335 118 B L + 0 0 9 21,-1.9 23,-0.4 -2,-0.6 2,-0.3 -0.748 37.4 148.9 -94.9 109.5 17.7 4.1 30.7 336 119 B Y - 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