==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-APR-09 3GZG . COMPND 2 MOLECULE: MOLYBDATE-BINDING PERIPLASMIC PROTEIN; PERMEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; . AUTHOR C.SANTACRUZ-PEREZ,V.R.PEGOS,A.BALAN,J.A.R.G.BARBOSA . 696 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 489 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 11.6 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 . 32 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.4 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 3 5 1 2 1 11 1 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 3 3 0 3 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 3 3 3 3 3 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 3 3 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 2 A T 0 0 134 0, 0.0 3,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 123.3 -7.9 97.7 78.8 2 3 A A - 0 0 68 1,-0.1 3,-0.0 27,-0.1 2,-0.0 -0.468 360.0-118.7 -62.5 126.2 -7.3 96.8 75.2 3 4 A P - 0 0 32 0, 0.0 2,-0.5 0, 0.0 28,-0.3 -0.308 21.8-107.7 -70.2 154.7 -5.5 99.7 73.6 4 5 A V E -a 31 0A 0 26,-2.4 28,-2.9 203,-0.1 2,-0.8 -0.710 34.7-138.5 -78.0 125.6 -6.9 101.6 70.8 5 6 A T E -a 32 0A 31 -2,-0.5 47,-3.0 26,-0.2 48,-2.0 -0.820 23.1-171.6 -95.1 112.9 -4.9 100.6 67.8 6 7 A V E -ab 33 53A 0 26,-2.9 28,-3.1 -2,-0.8 2,-0.7 -0.913 14.6-160.8-110.0 125.8 -4.1 103.6 65.7 7 8 A F E -ab 34 54A 15 46,-3.0 48,-2.4 -2,-0.5 2,-0.4 -0.931 25.2-177.3-102.1 116.7 -2.5 103.4 62.3 8 9 A A E -ab 35 55A 0 26,-3.0 28,-1.1 -2,-0.7 48,-0.2 -0.943 32.1-100.2-125.0 137.6 -1.1 106.8 61.5 9 10 A A E > -a 36 0A 1 46,-1.9 3,-2.8 -2,-0.4 28,-0.2 -0.110 41.7-111.6 -44.3 142.3 0.6 108.4 58.6 10 11 A A G > S+ 0 0 9 26,-1.5 3,-1.6 1,-0.3 -1,-0.1 0.794 115.2 64.3 -50.5 -37.5 4.3 108.6 59.2 11 12 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 25,-0.1 4,-0.3 0.595 92.2 65.8 -67.0 -7.7 4.3 112.4 59.4 12 13 A L G <> + 0 0 0 -3,-2.8 4,-3.2 1,-0.2 5,-0.5 0.327 67.9 116.5 -93.9 9.7 2.1 112.1 62.5 13 14 A K H <> S+ 0 0 86 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.873 81.0 27.9 -48.4 -61.9 4.9 110.5 64.6 14 15 A E H > S+ 0 0 53 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 123.8 48.9 -73.9 -38.9 5.5 113.0 67.3 15 16 A S H > S+ 0 0 0 -4,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.940 114.7 42.9 -67.6 -46.0 2.0 114.5 67.4 16 17 A M H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -1,-0.2 0.817 112.3 55.2 -70.4 -28.5 0.2 111.2 67.5 17 18 A D H X S+ 0 0 54 -4,-1.7 4,-2.0 -5,-0.5 -1,-0.2 0.938 112.2 43.0 -64.3 -43.9 2.6 109.9 70.1 18 19 A E H X S+ 0 0 59 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.901 115.0 50.3 -67.9 -39.4 1.9 112.9 72.3 19 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.925 107.1 53.6 -65.3 -43.7 -1.8 112.5 71.6 20 21 A A H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.918 112.1 45.6 -54.4 -46.1 -1.7 108.8 72.5 21 22 A T H X S+ 0 0 98 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.928 113.5 48.0 -64.9 -43.3 -0.2 109.7 75.8 22 23 A A H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.867 110.3 52.6 -69.1 -36.5 -2.6 112.5 76.5 23 24 A Y H X S+ 0 0 7 -4,-2.9 4,-2.6 1,-0.2 6,-0.4 0.940 111.0 46.2 -65.8 -45.5 -5.6 110.4 75.6 24 25 A E H X S+ 0 0 87 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.887 110.1 54.4 -64.9 -37.2 -4.5 107.7 78.0 25 26 A K H < S+ 0 0 189 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.945 115.6 39.7 -58.5 -44.7 -3.8 110.2 80.8 26 27 A A H < S+ 0 0 72 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.854 132.7 20.5 -75.9 -34.0 -7.4 111.6 80.4 27 28 A T H < S- 0 0 64 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.626 90.7-123.8-113.9 -17.1 -9.2 108.3 79.9 28 29 A G S < S+ 0 0 48 -4,-2.7 -4,-0.2 -5,-0.3 -3,-0.1 0.407 74.0 122.1 80.2 -1.7 -7.1 105.5 81.2 29 30 A T - 0 0 21 -6,-0.4 -1,-0.2 178,-0.0 -2,-0.2 -0.854 59.9-134.3 -96.5 120.3 -7.3 103.8 77.9 30 31 A P - 0 0 33 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.337 13.0-151.1 -69.3 153.5 -3.9 103.1 76.3 31 32 A V E -a 4 0A 18 -28,-0.3 2,-0.6 -11,-0.1 -26,-0.2 -0.998 3.5-160.1-128.4 128.2 -3.4 104.0 72.6 32 33 A R E -a 5 0A 173 -28,-2.9 -26,-2.9 -2,-0.4 2,-0.4 -0.968 12.6-160.9-113.8 117.6 -0.9 102.0 70.5 33 34 A V E -a 6 0A 27 -2,-0.6 2,-0.5 -28,-0.2 -26,-0.2 -0.855 8.6-165.5-106.1 131.7 0.1 103.8 67.4 34 35 A S E -a 7 0A 51 -28,-3.1 -26,-3.0 -2,-0.4 2,-0.4 -0.971 12.9-158.6-109.5 131.7 1.7 102.2 64.3 35 36 A Y E +a 8 0A 51 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.874 30.2 122.8-113.6 143.5 3.3 104.6 61.8 36 37 A A E S-a 9 0A 14 -28,-1.1 -26,-1.5 -2,-0.4 -25,-0.1 -0.928 70.3 -51.3-170.8 173.2 4.1 104.0 58.2 37 38 A A > - 0 0 4 455,-0.4 4,-2.2 112,-0.3 5,-0.2 -0.336 56.7-117.1 -50.1 147.0 3.3 105.6 54.8 38 39 A S H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 116.4 56.7 -60.9 -35.9 -0.5 106.0 54.6 39 40 A S H > S+ 0 0 3 82,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.939 106.4 48.2 -55.6 -50.7 -0.5 103.7 51.7 40 41 A A H > S+ 0 0 0 452,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.912 113.9 46.9 -59.7 -46.1 1.2 100.9 53.7 41 42 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.912 112.4 48.7 -64.2 -44.6 -1.2 101.3 56.6 42 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.932 113.5 47.5 -62.3 -45.6 -4.3 101.4 54.4 43 44 A R H X S+ 0 0 44 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.930 111.4 50.8 -61.4 -44.6 -3.1 98.2 52.5 44 45 A Q H <>S+ 0 0 49 -4,-2.8 5,-2.7 -5,-0.2 -2,-0.2 0.915 112.4 46.8 -60.4 -42.0 -2.4 96.5 55.8 45 46 A I H ><5S+ 0 0 10 -4,-2.7 3,-2.3 3,-0.2 -2,-0.2 0.937 109.2 53.7 -63.3 -46.0 -5.9 97.4 57.1 46 47 A E H 3<5S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.4 52.7 -58.5 -34.1 -7.4 96.2 53.8 47 48 A Q T 3<5S- 0 0 66 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.306 132.4 -90.6 -87.0 7.0 -5.6 92.9 54.3 48 49 A G T < 5 + 0 0 60 -3,-2.3 -3,-0.2 1,-0.3 -2,-0.1 0.534 64.3 161.6 103.4 9.3 -7.1 92.5 57.8 49 50 A A < - 0 0 31 -5,-2.7 2,-1.9 -6,-0.2 -1,-0.3 -0.417 50.4-115.1 -57.7 132.1 -4.6 94.1 60.2 50 51 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.488 56.3 155.0 -81.0 79.0 -6.6 94.7 63.4 51 52 A A - 0 0 8 -2,-1.9 -45,-0.2 1,-0.1 3,-0.1 -0.721 31.6-166.5-100.2 151.7 -6.6 98.5 63.5 52 53 A D S S+ 0 0 9 -47,-3.0 148,-2.9 1,-0.3 2,-0.3 0.745 75.9 24.3-103.2 -33.4 -9.2 100.6 65.3 53 54 A V E -bC 6 199A 0 -48,-2.0 -46,-3.0 146,-0.2 2,-0.4 -0.980 63.2-163.3-138.6 139.6 -8.4 104.1 63.9 54 55 A F E -bC 7 198A 0 144,-2.4 144,-2.1 -2,-0.3 2,-0.5 -0.996 3.7-172.9-126.7 134.8 -6.7 105.2 60.7 55 56 A L E -bC 8 197A 0 -48,-2.4 -46,-1.9 -2,-0.4 2,-0.3 -0.990 12.9-167.2-125.2 120.5 -5.2 108.6 59.9 56 57 A S - 0 0 0 140,-2.0 -19,-0.0 -2,-0.5 -2,-0.0 -0.759 27.5-136.1-104.6 153.4 -4.0 109.1 56.4 57 58 A A S S+ 0 0 2 -2,-0.3 137,-0.3 138,-0.2 2,-0.3 0.354 91.2 30.5 -87.0 6.0 -1.9 112.0 55.0 58 59 A D S > S- 0 0 8 135,-0.1 4,-0.6 138,-0.1 -2,-0.1 -0.978 78.5-117.0-154.3 165.8 -4.2 112.2 52.1 59 60 A L H >> S+ 0 0 73 -2,-0.3 4,-3.0 1,-0.2 3,-0.6 0.874 103.4 68.4 -67.5 -38.0 -7.8 111.6 51.0 60 61 A E H 3> S+ 0 0 125 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.878 98.6 46.7 -56.6 -43.1 -7.0 108.9 48.5 61 62 A W H 3> S+ 0 0 30 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.769 113.4 48.9 -75.8 -23.3 -5.9 106.2 51.0 62 63 A M H S+ 0 0 0 -4,-1.3 5,-2.6 1,-0.2 6,-0.8 0.884 113.7 52.1 -66.2 -38.0 -10.6 101.9 52.7 66 67 A Q H ><5S+ 0 0 62 -4,-2.4 3,-2.0 4,-0.2 -2,-0.2 0.928 107.2 51.7 -63.2 -45.6 -14.0 103.4 52.3 67 68 A Q H 3<5S+ 0 0 146 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 108.6 53.0 -64.1 -28.2 -14.4 101.8 48.8 68 69 A H T 3<5S- 0 0 88 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.247 118.6-113.1 -89.0 9.3 -13.4 98.5 50.4 69 70 A G T < 5S+ 0 0 26 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.629 89.4 112.6 72.6 16.5 -16.2 98.9 53.1 70 71 A L S - 0 0 73 127,-0.5 3,-2.1 -2,-0.4 4,-0.2 -0.807 23.3-125.1 -94.4 139.0 -18.1 104.3 56.7 73 74 A P G > S+ 0 0 90 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.845 109.6 58.7 -53.6 -35.8 -18.4 107.9 55.5 74 75 A A G 3 S+ 0 0 97 1,-0.3 -3,-0.0 124,-0.0 124,-0.0 0.723 105.1 51.0 -63.4 -24.0 -20.1 108.9 58.8 75 76 A Q G < S+ 0 0 70 -3,-2.1 124,-1.7 124,-0.1 2,-0.4 0.242 100.6 77.1-101.5 9.3 -17.1 107.7 60.8 76 77 A R E < +D 198 0A 37 -3,-1.5 2,-0.3 -4,-0.2 122,-0.2 -0.922 50.9 156.4-118.5 145.4 -14.5 109.6 58.7 77 78 A H E -D 197 0A 85 120,-2.3 120,-3.3 -2,-0.4 2,-0.3 -0.971 43.7 -96.1-161.8 160.3 -13.6 113.3 58.8 78 79 A N E +D 196 0A 68 -2,-0.3 3,-0.1 118,-0.3 -19,-0.0 -0.536 39.9 166.6 -78.4 137.1 -10.8 115.6 58.0 79 80 A L E + 0 0 14 116,-3.1 153,-2.9 1,-0.3 2,-0.3 0.785 52.2 19.8-118.0 -45.6 -8.6 116.5 60.9 80 81 A L E -DE 195 231A 1 115,-1.3 115,-2.8 151,-0.3 -1,-0.3 -0.872 50.2-157.0-135.1 158.0 -5.4 118.2 59.8 81 82 A G E -DE 194 230A 0 149,-2.1 149,-1.9 -2,-0.3 2,-0.3 -0.870 12.2-175.1-128.2 168.0 -3.7 120.0 57.1 82 83 A N E -D 193 0A 12 111,-1.3 111,-0.6 -2,-0.3 2,-0.3 -0.926 20.5-121.1-149.0 172.4 -0.1 120.6 56.1 83 84 A T - 0 0 61 -2,-0.3 87,-2.2 109,-0.1 2,-0.5 -0.773 25.5-122.4-112.5 163.7 2.1 122.5 53.7 84 85 A L E -F 169 0B 0 101,-0.4 101,-2.5 -2,-0.3 2,-0.3 -0.943 34.4-174.3-109.8 126.9 4.6 121.0 51.3 85 86 A V E -FG 168 184B 2 83,-3.3 83,-2.2 -2,-0.5 2,-0.6 -0.901 28.5-132.8-126.4 152.0 8.2 122.1 51.6 86 87 A L E -FG 167 183B 0 97,-3.0 96,-3.1 -2,-0.3 97,-1.7 -0.916 37.4-171.0 -95.8 122.2 11.5 121.7 49.9 87 88 A V E -FG 166 181B 0 79,-3.0 79,-2.4 -2,-0.6 94,-0.2 -0.804 15.1-174.7-117.0 157.5 14.1 120.9 52.5 88 89 A A E - G 0 180B 0 92,-2.1 92,-2.7 -2,-0.3 77,-0.2 -0.892 46.8 -72.4-135.2 166.7 17.9 120.6 52.7 89 90 A P E > - G 0 179B 16 0, 0.0 3,-2.0 0, 0.0 90,-0.3 -0.326 52.7-111.2 -56.3 145.7 20.3 119.6 55.4 90 91 A A T 3 S+ 0 0 51 88,-2.6 89,-0.1 1,-0.3 88,-0.1 0.787 117.6 49.0 -52.2 -33.1 20.5 122.3 58.0 91 92 A S T 3 S+ 0 0 98 87,-0.3 -1,-0.3 89,-0.0 88,-0.1 0.501 86.5 114.6 -87.2 -8.7 24.1 123.2 57.0 92 93 A S < - 0 0 25 -3,-2.0 -4,-0.1 1,-0.1 69,-0.0 -0.357 52.8-158.8 -65.4 144.1 23.3 123.5 53.3 93 94 A K + 0 0 155 -2,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.260 43.0 139.7-104.0 9.6 23.5 126.9 51.7 94 95 A L - 0 0 47 70,-0.1 2,-0.5 13,-0.1 -6,-0.1 -0.255 34.5-165.6 -58.2 138.0 21.3 126.0 48.8 95 96 A R + 0 0 180 2,-0.0 2,-0.4 88,-0.0 88,-0.1 -0.997 17.2 174.9-122.2 122.3 18.9 128.7 47.7 96 97 A V - 0 0 15 -2,-0.5 -10,-0.1 86,-0.4 3,-0.1 -0.987 28.0-160.0-138.1 126.7 16.2 127.2 45.4 97 98 A D > - 0 0 91 -2,-0.4 3,-1.7 1,-0.1 6,-0.2 -0.921 14.6-154.9-100.0 112.4 13.1 128.7 43.9 98 99 A P T 3 S+ 0 0 8 0, 0.0 6,-0.2 0, 0.0 4,-0.2 0.770 91.7 58.4 -63.8 -24.7 11.0 125.7 43.0 99 100 A R T 3 S+ 0 0 139 2,-0.1 3,-0.0 4,-0.1 86,-0.0 0.675 82.5 99.3 -71.6 -22.7 9.2 127.7 40.3 100 101 A A S X S- 0 0 35 -3,-1.7 3,-2.8 1,-0.1 4,-0.4 -0.570 89.8-104.1 -73.7 123.1 12.5 128.4 38.4 101 102 A P T 3 S- 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.173 99.9 -4.6 -50.6 123.2 12.9 126.1 35.5 102 103 A G T 3> S+ 0 0 27 -4,-0.2 4,-2.9 34,-0.1 5,-0.2 0.471 95.5 122.2 75.7 3.9 15.6 123.5 36.4 103 104 A A H <> S+ 0 0 14 -3,-2.8 4,-2.1 -6,-0.2 5,-0.1 0.916 75.0 46.1 -68.6 -40.5 16.4 125.0 39.8 104 105 A I H > S+ 0 0 0 -4,-0.4 4,-0.7 -6,-0.2 -1,-0.2 0.955 115.8 47.5 -63.8 -46.3 15.5 121.9 41.8 105 106 A A H >4 S+ 0 0 14 1,-0.2 3,-1.4 2,-0.2 4,-0.3 0.924 111.2 49.4 -61.5 -45.1 17.5 119.7 39.4 106 107 A K H >< S+ 0 0 167 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.906 104.5 60.0 -63.6 -37.0 20.5 122.0 39.4 107 108 A A H 3< S+ 0 0 13 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.643 90.1 71.1 -67.1 -13.2 20.5 122.1 43.2 108 109 A L T - 0 0 37 30,-2.5 4,-2.1 1,-0.2 7,-0.4 -0.309 53.4-141.2 -52.0 124.5 7.5 106.9 46.9 119 120 A T T 4 S+ 0 0 22 1,-0.2 -1,-0.2 6,-0.2 10,-0.1 0.775 89.2 54.5 -76.9 -27.2 5.6 109.0 44.4 120 121 A A T 4 S+ 0 0 78 1,-0.1 -1,-0.2 5,-0.0 -2,-0.1 0.865 130.6 4.3 -70.1 -35.5 3.0 106.5 43.2 121 122 A S T 4 S+ 0 0 15 -3,-0.3 -82,-0.2 1,-0.0 -2,-0.2 0.750 100.2 90.1-125.9 -34.8 1.7 105.7 46.7 122 123 A V S >X S- 0 0 7 -4,-2.1 4,-2.8 1,-0.2 3,-0.7 -0.561 70.8-134.8 -74.4 125.0 3.2 107.6 49.6 123 124 A P H 3> S+ 0 0 2 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.894 106.0 49.0 -47.8 -43.8 1.0 110.7 50.1 124 125 A A H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.851 112.6 50.3 -65.5 -31.9 4.0 113.0 50.5 125 126 A G H <> S+ 0 0 0 -3,-0.7 4,-2.8 -7,-0.4 -6,-0.2 0.906 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5,-0.3 0.925 115.5 54.4 -61.0 -43.4 24.2 66.3 29.0 443 211 B A H > S+ 0 0 7 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.888 110.3 47.8 -57.1 -40.1 22.8 68.4 32.0 444 212 B F H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.927 110.8 48.6 -69.6 -43.8 20.3 65.6 32.6 445 213 B V H X S+ 0 0 12 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.935 114.1 47.4 -62.4 -40.8 22.8 62.8 32.4 446 214 B S H >< S+ 0 0 49 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.929 109.1 54.3 -62.9 -43.9 25.1 64.7 34.8 447 215 B W H >< S+ 0 0 17 -4,-2.5 3,-2.2 1,-0.3 6,-0.5 0.871 97.6 65.0 -59.7 -35.5 22.1 65.3 37.1 448 216 B L H 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.772 104.2 46.2 -59.8 -23.1 21.4 61.6 37.2 449 217 B G T << S+ 0 0 28 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.317 94.9 105.7-100.3 8.3 24.7 61.1 39.0 450 218 B S S <> S- 0 0 16 -3,-2.2 4,-3.0 -4,-0.2 3,-0.4 -0.416 86.3 -99.2 -86.8 162.6 24.1 64.0 41.4 451 219 B K H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 118.9 46.8 -47.2 -53.3 23.2 63.6 45.0 452 220 B P H > S+ 0 0 64 0, 0.0 4,-1.3 0, 0.0 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-6,-0.1 2,-0.2 -0.695 52.4-129.1 -82.8 138.9 19.2 50.3 43.3 463 231 B S E -N 314 0C 60 -149,-1.8 -149,-2.3 -2,-0.4 2,-0.4 -0.590 26.8-124.8 -79.1 156.1 22.8 50.2 44.1 464 232 B L E N 313 0C 64 -151,-0.2 -151,-0.3 -2,-0.2 -152,-0.1 -0.845 360.0 360.0-107.8 135.0 24.8 53.2 43.0 465 233 B K 0 0 135 -153,-2.5 -152,-0.0 -2,-0.4 -38,-0.0 -0.674 360.0 360.0 -81.5 360.0 27.8 53.0 40.8 466 !* 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 0.0 467 2 C T 0 0 97 0, 0.0 28,-0.0 0, 0.0 -424,-0.0 0.000 360.0 360.0 360.0 141.9 -4.0 90.9 47.8 468 3 C A - 0 0 57 1,-0.0 2,-0.1 3,-0.0 3,-0.0 -0.611 360.0-138.5 -63.6 111.8 -2.1 89.5 44.9 469 4 C P - 0 0 37 0, 0.0 2,-0.5 0, 0.0 28,-0.3 -0.484 24.8-100.1 -69.8 151.3 1.4 89.2 46.3 470 5 C V E -s 497 0E 0 26,-2.4 28,-2.9 -2,-0.1 2,-0.7 -0.634 38.4-139.8 -67.5 120.0 4.3 90.3 44.0 471 6 C T E -s 498 0E 11 -2,-0.5 47,-2.6 26,-0.2 48,-2.3 -0.793 22.5-169.9 -90.8 114.5 5.6 87.0 42.7 472 7 C V E -st 499 519E 0 26,-3.3 28,-2.7 -2,-0.7 2,-0.7 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89.4 39.4 654 189 C D G 3 S+ 0 0 135 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 0.603 84.6 80.2 -78.3 -12.9 38.8 89.3 35.8 655 190 C S G < S+ 0 0 3 -3,-1.5 -55,-0.4 2,-0.1 2,-0.3 0.685 105.0 21.9 -69.9 -17.4 38.8 85.4 35.5 656 191 C H S < S- 0 0 8 -3,-0.8 3,-0.1 -4,-0.3 -63,-0.1 -0.895 100.7 -78.3-138.3 166.1 35.0 85.5 34.8 657 192 C D S S- 0 0 106 -2,-0.3 -60,-0.1 1,-0.1 -2,-0.1 -0.352 71.5 -80.5 -56.2 147.4 32.5 87.9 33.5 658 193 C A - 0 0 52 1,-0.1 2,-0.9 -4,-0.1 -1,-0.1 -0.305 47.1-116.3 -51.0 135.3 31.5 90.4 36.2 659 194 C I E + V 0 548E 4 -111,-0.6 -111,-1.1 -3,-0.1 2,-0.4 -0.736 49.8 169.5 -80.1 111.4 29.0 88.7 38.5 660 195 C V E - V 0 547E 9 -2,-0.9 -113,-0.2 -137,-0.4 -3,-0.0 -0.990 27.9-152.7-131.8 130.7 25.9 90.9 38.0 661 196 C Y E - V 0 546E 0 -115,-2.9 -116,-3.1 -2,-0.4 -115,-1.2 -0.884 14.8-163.1-104.3 104.6 22.4 90.3 39.1 662 197 C P E - V 0 544E 0 0, 0.0 -140,-2.1 0, 0.0 2,-0.4 -0.625 2.0-157.4 -82.3 145.5 19.8 92.0 36.9 663 198 C V E +UV 521 543E 0 -120,-3.1 -120,-2.4 -2,-0.3 2,-0.3 -0.940 14.1 178.7-114.9 147.7 16.3 92.5 38.1 664 199 C A E -UV 520 542E 0 -144,-2.0 -144,-2.3 -2,-0.4 2,-0.4 -0.997 32.0-127.7-147.3 142.7 13.3 93.0 35.8 665 200 C A E -U 519 0E 7 -124,-1.6 -127,-0.4 -2,-0.3 2,-0.3 -0.741 45.1-114.0 -74.3 136.6 9.6 93.5 36.0 666 201 C L > - 0 0 7 -148,-2.9 3,-2.4 -2,-0.4 -129,-0.2 -0.597 13.0-131.2 -79.3 136.7 8.1 90.9 33.7 667 202 C K T 3 S+ 0 0 98 -131,-2.6 -1,-0.1 -2,-0.3 -130,-0.1 0.861 107.9 48.0 -53.8 -41.7 6.3 92.2 30.6 668 203 C N T 3 S+ 0 0 113 -132,-0.4 -1,-0.3 -151,-0.1 2,-0.1 0.354 80.7 133.1 -83.6 6.2 3.3 90.0 31.3 669 204 C S < - 0 0 31 -3,-2.4 -151,-0.1 -151,-0.2 -152,-0.1 -0.388 33.6-175.3 -62.2 129.6 3.0 91.0 35.0 670 205 C N + 0 0 143 -2,-0.1 -1,-0.1 -154,-0.1 -152,-0.1 0.126 48.5 114.9-106.8 15.3 -0.5 91.9 36.0 671 206 C N > - 0 0 11 1,-0.1 3,-1.6 -200,-0.1 4,-0.3 -0.784 59.3-150.6 -90.2 121.3 0.5 92.9 39.5 672 207 C P T 3 S+ 0 0 128 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.733 95.8 53.3 -60.7 -20.5 -0.0 96.7 40.1 673 208 C A T 3> S+ 0 0 11 1,-0.2 4,-2.7 2,-0.1 5,-0.2 0.409 79.2 97.8 -95.4 -0.2 2.9 96.7 42.6 674 209 C T H <> S+ 0 0 5 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.944 86.0 42.0 -56.7 -56.0 5.5 95.1 40.3 675 210 C A H > S+ 0 0 70 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.895 114.5 53.9 -57.8 -43.3 7.3 98.3 39.2 676 211 C A H > S+ 0 0 22 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.913 109.3 47.1 -59.0 -45.2 7.1 99.7 42.7 677 212 C F H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.938 111.9 50.4 -65.0 -44.4 8.8 96.6 44.2 678 213 C V H < S+ 0 0 8 -4,-2.5 4,-0.5 -5,-0.2 3,-0.2 0.935 112.7 46.3 -59.7 -46.5 11.5 96.6 41.5 679 214 C S H >< S+ 0 0 61 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 0.929 108.4 56.5 -57.2 -45.6 12.2 100.3 42.2 680 215 C W H >< S+ 0 0 22 -4,-2.6 3,-2.5 1,-0.3 6,-0.4 0.817 91.9 69.7 -61.7 -32.1 12.2 99.7 45.9 681 216 C L T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.783 100.0 51.4 -57.2 -23.1 15.0 97.1 45.5 682 217 C G T < S+ 0 0 37 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.380 90.6 104.0 -92.4 2.5 17.2 100.1 44.7 683 218 C S S <> S- 0 0 16 -3,-2.5 4,-3.1 -4,-0.1 3,-0.3 -0.411 86.1-100.6 -82.1 162.9 16.2 102.2 47.7 684 219 C K H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.887 118.3 45.1 -48.8 -53.9 18.5 102.6 50.8 685 220 C P H > S+ 0 0 62 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.855 116.0 46.8 -69.2 -28.6 16.9 100.1 53.1 686 221 C A H >> S+ 0 0 0 -6,-0.4 4,-1.5 -3,-0.3 3,-0.7 0.936 111.6 50.8 -72.7 -47.6 16.6 97.4 50.4 687 222 C K H 3X S+ 0 0 75 -4,-3.1 4,-3.0 -7,-0.3 5,-0.2 0.886 104.7 59.9 -53.6 -36.5 20.2 98.0 49.3 688 223 C A H 3X S+ 0 0 35 -4,-2.2 4,-2.7 -5,-0.3 -1,-0.2 0.860 100.1 55.0 -63.6 -34.4 21.3 97.7 53.0 689 224 C I H S+ 0 0 0 -4,-1.5 5,-2.4 1,-0.2 4,-0.3 0.895 113.7 53.7 -67.2 -38.9 22.0 93.0 50.2 691 226 C A H ><5S+ 0 0 47 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.923 106.6 51.3 -60.9 -44.4 25.0 94.9 51.4 692 227 C R H 3<5S+ 0 0 140 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.837 108.0 55.7 -59.0 -29.8 24.8 93.3 54.8 693 228 C R T 3<5S- 0 0 84 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.441 124.8 -98.2 -92.5 5.7 24.7 90.0 53.1 694 229 C G T < 5S+ 0 0 31 -3,-1.6 2,-0.3 1,-0.4 -145,-0.2 0.518 78.3 132.4 97.5 4.3 27.9 90.5 51.1 695 230 C F < - 0 0 11 -5,-2.4 -1,-0.4 -6,-0.1 2,-0.2 -0.675 53.3-130.3 -81.9 143.1 26.5 91.6 47.7 696 231 C S E -W 547 0E 60 -149,-1.9 -149,-2.3 -2,-0.3 2,-0.4 -0.640 27.4-121.2 -81.4 154.7 28.0 94.6 46.1 697 232 C L E W 546 0E 70 -2,-0.2 -151,-0.2 -151,-0.2 -152,-0.1 -0.810 360.0 360.0-104.9 140.7 25.5 97.3 44.9 698 233 C K 0 0 141 -153,-2.4 -151,-0.1 -2,-0.4 -153,-0.0 -0.549 360.0 360.0 -98.3 360.0 25.0 98.5 41.3