==== 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 METAL TRANSPORT 29-MAY-06 2H5Y . COMPND 2 MOLECULE: MOLYBDATE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; . AUTHOR A.BALAN,C.P.SANTACRUZ,L.C.S.FERREIRA,J.A.R.G.BARBOSA . 697 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 498 71.4 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 . 39 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.6 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 2 5 2 1 1 12 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 0 136 0, 0.0 3,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 118.4 -8.0 11.5 20.7 2 3 A A - 0 0 63 1,-0.1 205,-0.2 27,-0.1 3,-0.0 -0.478 360.0-121.7 -61.6 122.2 -7.5 10.7 17.0 3 4 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 28,-0.3 -0.373 20.4-109.0 -68.6 149.4 -5.5 13.6 15.7 4 5 A V E -a 31 0A 0 26,-2.7 28,-3.1 203,-0.1 2,-0.7 -0.681 35.6-138.3 -71.5 124.5 -6.9 15.7 12.9 5 6 A T E -a 32 0A 35 -2,-0.5 47,-3.1 26,-0.2 48,-2.4 -0.803 22.7-171.4 -94.0 114.7 -4.8 14.8 10.0 6 7 A V E -ab 33 53A 0 26,-3.0 28,-3.1 -2,-0.7 2,-0.7 -0.914 14.5-160.0-112.9 126.2 -3.9 17.8 8.0 7 8 A F E -ab 34 54A 16 46,-3.2 48,-3.0 -2,-0.5 2,-0.4 -0.939 25.3-177.2-102.5 116.1 -2.2 17.6 4.6 8 9 A A E -ab 35 55A 0 26,-3.0 28,-1.1 -2,-0.7 48,-0.2 -0.958 32.1-101.4-126.5 133.5 -0.7 21.0 4.1 9 10 A A E > -a 36 0A 1 46,-2.3 3,-2.8 -2,-0.4 28,-0.2 -0.109 41.4-111.3 -40.2 138.9 1.3 22.6 1.2 10 11 A A G > S+ 0 0 10 26,-1.6 3,-1.9 1,-0.3 -1,-0.1 0.819 116.3 63.9 -48.9 -37.8 5.0 22.6 2.0 11 12 A S G 3 S+ 0 0 2 1,-0.3 -1,-0.3 25,-0.1 4,-0.3 0.612 92.9 64.5 -66.7 -12.1 4.9 26.4 2.3 12 13 A L G <>> + 0 0 0 -3,-2.8 4,-3.4 1,-0.2 5,-0.5 0.363 69.2 117.8 -90.1 6.1 2.6 26.1 5.3 13 14 A K H <>5S+ 0 0 76 -3,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.869 81.5 25.3 -42.5 -65.0 5.3 24.4 7.3 14 15 A E H >5S+ 0 0 12 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.890 123.5 51.1 -74.5 -38.2 5.7 26.8 10.2 15 16 A S H >5S+ 0 0 0 -4,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.947 114.7 42.3 -65.7 -47.8 2.3 28.4 10.1 16 17 A M H X5S+ 0 0 0 -4,-3.4 4,-3.3 2,-0.2 -1,-0.2 0.862 112.1 54.4 -70.6 -32.8 0.5 25.1 10.1 17 18 A D H X - 0 0 6 112,-0.3 4,-2.4 -2,-0.3 3,-0.2 -0.398 57.1-117.8 -53.9 143.3 4.0 19.8 -2.4 38 39 A S H > S+ 0 0 1 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.838 116.3 59.1 -54.7 -36.0 0.2 20.3 -2.7 39 40 A S H > S+ 0 0 3 2,-0.2 4,-2.8 82,-0.2 -1,-0.2 0.936 106.5 45.2 -56.7 -52.6 0.4 18.1 -5.7 40 41 A A H > S+ 0 0 30 -3,-0.2 4,-3.0 109,-0.2 -2,-0.2 0.934 114.2 49.5 -59.4 -46.0 1.9 15.2 -3.8 41 42 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.930 111.8 47.7 -60.1 -48.3 -0.6 15.7 -1.0 42 43 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.938 113.2 48.1 -60.9 -43.9 -3.5 15.8 -3.4 43 44 A R H X S+ 0 0 98 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.910 110.8 51.3 -63.1 -40.7 -2.3 12.7 -5.2 44 45 A Q H <>S+ 0 0 83 -4,-3.0 5,-2.9 2,-0.2 -1,-0.2 0.910 112.4 46.4 -61.2 -43.3 -1.8 10.9 -1.9 45 46 A I H ><5S+ 0 0 7 -4,-2.6 3,-2.1 3,-0.2 -2,-0.2 0.948 110.2 52.7 -63.2 -48.5 -5.4 11.9 -0.9 46 47 A E H 3<5S+ 0 0 71 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.0 53.1 -52.3 -38.2 -6.7 10.7 -4.2 47 48 A Q T 3<5S- 0 0 146 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.417 134.2 -87.2 -85.4 1.8 -4.9 7.4 -3.7 48 49 A G T < 5 + 0 0 56 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.2 0.487 66.6 160.7 115.6 7.7 -6.6 7.0 -0.3 49 50 A A < - 0 0 28 -5,-2.9 2,-2.0 -6,-0.2 -1,-0.3 -0.391 46.4-125.1 -60.8 131.4 -4.5 8.8 2.2 50 51 A P + 0 0 109 0, 0.0 -45,-0.2 0, 0.0 -1,-0.2 -0.257 48.7 161.0 -82.5 56.4 -6.8 9.3 5.2 51 52 A A - 0 0 4 -2,-2.0 -45,-0.2 1,-0.1 3,-0.1 -0.448 27.8-164.1 -69.1 144.4 -6.2 13.1 5.4 52 53 A D S S+ 0 0 8 -47,-3.1 148,-3.1 1,-0.3 2,-0.4 0.771 76.5 22.3 -94.4 -35.8 -8.9 15.0 7.3 53 54 A V E -bC 6 199A 0 -48,-2.4 -46,-3.2 146,-0.3 2,-0.4 -0.977 65.4-162.7-134.9 143.3 -8.0 18.4 6.0 54 55 A F E -bC 7 198A 0 144,-2.3 144,-2.1 -2,-0.4 2,-0.5 -0.998 3.2-172.3-126.3 132.2 -6.1 19.5 3.0 55 56 A L E -bC 8 197A 0 -48,-3.0 -46,-2.3 -2,-0.4 2,-0.3 -0.989 13.8-168.9-121.3 119.3 -4.6 22.9 2.4 56 57 A S - 0 0 0 140,-2.1 -19,-0.1 -2,-0.5 -2,-0.0 -0.743 29.0-135.8-103.4 154.2 -3.3 23.4 -1.0 57 58 A A S S+ 0 0 2 -2,-0.3 137,-0.4 138,-0.2 2,-0.3 0.415 92.3 34.8 -85.9 0.2 -1.1 26.2 -2.2 58 59 A D S > S- 0 0 6 135,-0.1 4,-0.8 138,-0.1 3,-0.1 -0.988 75.6-125.3-145.3 163.9 -3.3 26.4 -5.2 59 60 A L H > S+ 0 0 61 -2,-0.3 4,-3.2 1,-0.2 3,-0.4 0.865 103.0 68.9 -70.6 -32.8 -6.9 26.1 -6.2 60 61 A E H > S+ 0 0 102 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.868 99.0 46.6 -59.6 -40.8 -6.0 23.6 -8.9 61 62 A W H > S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.817 113.8 48.9 -72.8 -28.3 -5.0 20.8 -6.6 62 63 A M H X S+ 0 0 0 -4,-0.8 4,-2.8 -3,-0.4 -2,-0.2 0.909 110.2 51.9 -70.2 -42.4 -8.1 21.4 -4.5 63 64 A D H X S+ 0 0 53 -4,-3.2 4,-3.4 1,-0.2 -2,-0.2 0.887 104.7 58.1 -55.3 -41.4 -10.1 21.3 -7.7 64 65 A Y H X S+ 0 0 54 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 109.0 42.7 -55.2 -51.7 -8.4 18.0 -8.4 65 66 A L H <>S+ 0 0 0 -4,-1.6 5,-2.7 1,-0.2 6,-0.8 0.890 113.9 52.4 -64.3 -38.6 -9.7 16.5 -5.2 66 67 A Q H ><5S+ 0 0 64 -4,-2.8 3,-1.7 4,-0.2 -2,-0.2 0.940 108.7 49.8 -60.2 -44.8 -13.1 18.1 -5.8 67 68 A Q H 3<5S+ 0 0 154 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 109.0 52.8 -63.6 -33.1 -13.2 16.5 -9.3 68 69 A H T 3<5S- 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.454 118.3-115.5 -81.7 0.1 -12.2 13.2 -7.8 69 70 A G T < 5S+ 0 0 26 -3,-1.7 -3,-0.2 -4,-0.3 -2,-0.1 0.618 87.5 113.4 79.3 14.4 -15.2 13.6 -5.3 70 71 A L S - 0 0 70 127,-0.5 3,-2.3 -2,-0.4 4,-0.2 -0.794 21.0-127.3 -92.3 139.0 -17.1 18.8 -1.6 73 74 A P G > S+ 0 0 80 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.851 110.4 59.9 -55.2 -31.5 -17.3 22.4 -2.8 74 75 A A G 3 S+ 0 0 95 1,-0.3 -3,-0.0 124,-0.0 124,-0.0 0.723 104.2 50.7 -65.6 -23.0 -19.2 23.3 0.4 75 76 A Q G < S+ 0 0 68 -3,-2.3 124,-1.6 124,-0.1 2,-0.4 0.183 100.2 75.9-105.3 10.9 -16.3 22.1 2.6 76 77 A R E < +D 198 0A 34 -3,-1.5 2,-0.3 122,-0.2 122,-0.2 -0.943 51.5 161.6-120.7 146.7 -13.6 24.1 0.8 77 78 A H E -D 197 0A 82 120,-2.3 120,-3.0 -2,-0.4 2,-0.3 -0.979 44.0 -95.3-159.3 158.2 -12.8 27.7 1.0 78 79 A N E +D 196 0A 71 -2,-0.3 3,-0.1 118,-0.3 -2,-0.0 -0.549 43.1 166.1 -76.9 128.3 -10.0 30.0 0.3 79 80 A L E + 0 0 13 116,-3.3 153,-2.7 -2,-0.3 2,-0.3 0.805 52.4 16.8-110.8 -43.8 -8.0 30.6 3.4 80 81 A L E -DE 195 231A 1 115,-1.6 115,-3.0 151,-0.3 -1,-0.3 -0.880 50.2-159.6-138.5 158.9 -4.7 32.3 2.5 81 82 A G E -DE 194 230A 1 149,-2.5 149,-1.9 -2,-0.3 2,-0.3 -0.846 12.3-177.7-132.3 171.5 -2.9 34.1 -0.2 82 83 A N E -D 193 0A 18 111,-1.1 111,-0.5 -2,-0.3 2,-0.3 -0.895 22.3-117.2-152.2 177.1 0.7 34.7 -0.9 83 84 A T - 0 0 66 -2,-0.3 87,-2.3 109,-0.1 2,-0.5 -0.822 25.8-121.5-117.6 167.5 3.0 36.5 -3.2 84 85 A L E -F 169 0B 0 101,-0.4 101,-2.9 -2,-0.3 2,-0.4 -0.945 34.4-171.2-110.5 130.7 5.5 35.0 -5.5 85 86 A V E -FG 168 184B 2 83,-3.3 83,-2.4 -2,-0.5 2,-0.6 -0.905 27.4-134.9-127.8 150.6 9.0 36.1 -5.0 86 87 A L E -FG 167 183B 0 97,-3.3 96,-3.2 -2,-0.4 97,-1.7 -0.892 37.8-171.7 -94.3 125.3 12.3 35.8 -6.7 87 88 A V E -FG 166 181B 0 79,-3.0 79,-2.1 -2,-0.6 94,-0.2 -0.815 15.9-173.7-122.7 157.5 14.8 35.0 -4.0 88 89 A A E - G 0 180B 0 92,-2.2 92,-3.0 -2,-0.3 77,-0.2 -0.921 47.0 -74.6-136.6 164.1 18.6 34.7 -3.8 89 90 A P E > - G 0 179B 17 0, 0.0 3,-2.1 0, 0.0 90,-0.3 -0.289 54.0-107.9 -54.8 151.4 20.8 33.6 -1.1 90 91 A A T 3 S+ 0 0 52 88,-2.8 89,-0.1 1,-0.3 88,-0.1 0.793 119.0 50.2 -54.0 -34.8 21.0 36.3 1.6 91 92 A S T 3 S+ 0 0 100 87,-0.3 -1,-0.3 89,-0.0 88,-0.1 0.560 85.2 117.8 -82.9 -10.0 24.5 37.3 0.7 92 93 A S < - 0 0 22 -3,-2.1 -4,-0.1 1,-0.1 69,-0.0 -0.336 50.3-161.8 -63.4 140.0 23.7 37.5 -3.0 93 94 A K + 0 0 158 2,-0.1 -1,-0.1 -2,-0.0 -3,-0.1 0.306 43.2 138.7-100.1 5.9 24.1 41.0 -4.5 94 95 A L - 0 0 43 70,-0.1 2,-0.5 13,-0.1 -6,-0.1 -0.213 34.9-166.8 -54.9 136.1 21.9 40.1 -7.5 95 96 A R + 0 0 174 8,-0.1 2,-0.4 2,-0.0 88,-0.1 -0.999 16.7 173.6-121.9 124.2 19.5 42.8 -8.5 96 97 A V - 0 0 14 -2,-0.5 -10,-0.1 86,-0.4 3,-0.1 -0.982 29.0-157.8-142.3 125.5 16.9 41.4 -10.9 97 98 A D > - 0 0 93 -2,-0.4 3,-2.1 1,-0.1 6,-0.3 -0.911 14.5-153.6 -96.4 109.6 13.9 42.9 -12.4 98 99 A P T 3 S+ 0 0 6 0, 0.0 6,-0.2 0, 0.0 4,-0.2 0.753 94.3 56.5 -55.3 -25.1 11.7 39.9 -13.4 99 100 A R T 3 S+ 0 0 123 2,-0.1 86,-0.0 4,-0.1 3,-0.0 0.665 82.0 97.9 -82.7 -16.9 10.2 42.1 -16.0 100 101 A A S X S- 0 0 36 -3,-2.1 3,-2.8 1,-0.1 4,-0.5 -0.620 88.6-108.7 -79.3 117.9 13.4 42.9 -17.8 101 102 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.198 99.3 0.8 -47.8 123.0 13.9 40.6 -20.7 102 103 A G T 3> S+ 0 0 30 -4,-0.2 4,-2.7 34,-0.1 5,-0.2 0.346 96.1 118.7 85.2 -6.4 16.6 38.1 -20.0 103 104 A A H <> S+ 0 0 24 -3,-2.8 4,-2.2 -6,-0.3 5,-0.1 0.907 75.8 45.5 -65.7 -43.1 17.3 39.5 -16.5 104 105 A I H > S+ 0 0 0 -4,-0.5 4,-0.6 -6,-0.2 -1,-0.2 0.963 114.8 47.6 -63.5 -49.1 16.5 36.3 -14.6 105 106 A A H >4 S+ 0 0 16 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.912 111.9 50.8 -60.1 -41.0 18.4 34.2 -17.0 106 107 A K H >< S+ 0 0 177 -4,-2.7 3,-2.3 1,-0.3 -1,-0.2 0.913 104.8 56.9 -62.6 -41.9 21.4 36.5 -16.8 107 108 A A H 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.587 91.9 71.2 -66.9 -10.7 21.4 36.5 -13.1 108 109 A L T - 0 0 69 30,-3.0 4,-1.8 1,-0.2 7,-0.4 -0.251 53.5-138.3 -47.0 126.1 8.5 21.3 -10.2 119 120 A T T 4 S+ 0 0 22 1,-0.2 -1,-0.2 6,-0.2 10,-0.1 0.718 90.5 54.5 -81.2 -18.8 6.7 23.4 -12.7 120 121 A A T 4 S+ 0 0 75 1,-0.1 -1,-0.2 9,-0.0 -2,-0.1 0.857 129.8 2.9 -75.0 -36.1 4.1 21.0 -13.9 121 122 A S T 4 S+ 0 0 10 -3,-0.4 -82,-0.2 1,-0.0 -2,-0.2 0.690 99.8 92.2-127.4 -36.1 2.6 20.1 -10.5 122 123 A V S >X S- 0 0 5 -4,-1.8 4,-2.9 1,-0.2 3,-0.7 -0.579 70.5-136.0 -74.8 125.2 4.0 21.9 -7.6 123 124 A P H 3> S+ 0 0 2 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.909 105.6 48.7 -48.5 -45.8 1.9 25.0 -7.1 124 125 A A H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.855 113.1 49.4 -62.7 -32.8 4.9 27.3 -6.5 125 126 A G H <> S+ 0 0 0 -3,-0.7 4,-3.1 -7,-0.4 -1,-0.2 0.875 112.5 46.9 -70.6 -40.0 6.4 25.8 -9.7 126 127 A K H X S+ 0 0 32 -4,-2.9 4,-2.7 -8,-0.3 -2,-0.2 0.912 113.8 46.8 -68.7 -42.4 3.2 26.3 -11.6 127 128 A Y H X S+ 0 0 12 -4,-3.2 4,-2.9 -5,-0.3 -2,-0.2 0.938 114.9 49.0 -62.3 -43.7 2.9 29.9 -10.4 128 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.3 5,-0.2 0.940 112.1 46.1 -59.8 -50.9 6.6 30.3 -11.2 129 130 A A H X S+ 0 0 2 -4,-3.1 4,-2.9 2,-0.2 5,-0.2 0.913 113.7 50.4 -61.0 -41.1 6.2 28.9 -14.7 130 131 A A H X S+ 0 0 35 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.949 113.4 44.4 -61.9 -47.5 3.1 31.0 -15.2 131 132 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 6,-0.3 0.922 114.8 49.2 -61.8 -47.8 4.9 34.2 -14.1 132 133 A L H <>S+ 0 0 0 -4,-3.5 5,-3.0 2,-0.2 6,-1.2 0.934 114.9 44.2 -59.4 -43.9 8.0 33.4 -16.1 133 134 A R H ><5S+ 0 0 140 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.946 113.4 49.9 -66.3 -46.7 5.9 32.7 -19.2 134 135 A K H 3<5S+ 0 0 119 -4,-3.0 -1,-0.2 55,-0.4 -2,-0.2 0.887 112.3 48.1 -60.1 -40.5 3.8 35.7 -18.7 135 136 A L T 3<5S- 0 0 19 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.427 115.4-116.9 -82.6 1.9 6.8 37.9 -18.3 136 137 A G T < 5S+ 0 0 57 -3,-1.7 -3,-0.2 -4,-0.3 4,-0.2 0.657 88.7 108.7 74.4 18.3 8.4 36.3 -21.4 137 138 A Q >< + 0 0 6 -5,-3.0 4,-0.7 -6,-0.3 3,-0.4 0.542 45.5 91.1-101.9 -11.2 11.3 34.9 -19.4 138 139 A W H >> S+ 0 0 31 -6,-1.2 4,-2.4 1,-0.3 3,-1.9 0.924 84.5 50.0 -57.6 -51.5 10.3 31.2 -19.5 139 140 A D H 34 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.869 106.3 57.5 -58.5 -33.7 12.3 30.3 -22.6 140 141 A S H 34 S+ 0 0 42 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.662 124.4 20.5 -72.4 -15.2 15.4 31.9 -21.2 141 142 A V H X< S+ 0 0 0 -3,-1.9 3,-2.8 -4,-0.7 -27,-0.3 0.463 90.7 100.0-128.4 -6.3 15.3 29.7 -18.1 142 143 A S T 3< S+ 0 0 33 -4,-2.4 3,-0.4 1,-0.3 -3,-0.1 0.760 94.4 41.7 -61.9 -25.6 13.2 26.7 -18.9 143 144 A N T 3 S+ 0 0 126 -4,-0.4 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-2,-0.2 -1,-0.2 4,-0.0 -152,-0.0 0.281 49.6 110.9-102.7 5.9 20.7 17.8 37.1 439 206 B N >> - 0 0 18 1,-0.2 3,-1.6 -200,-0.1 4,-0.6 -0.712 58.1-153.2 -83.6 123.1 19.3 16.9 33.7 440 207 B P H 3> S+ 0 0 110 0, 0.0 4,-1.0 0, 0.0 3,-0.2 0.784 97.8 61.8 -64.2 -20.1 21.7 14.9 31.5 441 208 B A H 3> S+ 0 0 8 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.678 84.3 78.4 -79.7 -13.4 19.9 16.3 28.6 442 209 B T H <> S+ 0 0 4 -3,-1.6 4,-2.8 2,-0.2 5,-0.2 0.974 99.1 39.0 -60.1 -53.8 20.8 19.8 29.6 443 210 B A H X S+ 0 0 66 -4,-0.6 4,-3.0 1,-0.2 5,-0.2 0.923 117.1 52.1 -61.2 -43.5 24.3 19.6 28.2 444 211 B A H X S+ 0 0 8 -4,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.896 110.8 47.8 -58.3 -42.3 23.1 17.6 25.2 445 212 B F H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.945 111.2 49.0 -68.5 -46.7 20.5 20.2 24.5 446 213 B V H X S+ 0 0 10 -4,-2.8 4,-0.5 -5,-0.2 -2,-0.2 0.928 114.5 45.5 -58.2 -44.7 22.9 23.1 24.7 447 214 B S H >< S+ 0 0 46 -4,-3.0 3,-1.8 1,-0.2 4,-0.2 0.925 109.0 56.9 -63.5 -40.2 25.3 21.3 22.4 448 215 B W H >< S+ 0 0 18 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-4,-1.9 5,-2.4 1,-0.2 3,-0.2 0.932 115.4 51.2 -66.2 -42.4 17.8 30.1 14.2 459 226 B A H ><5S+ 0 0 11 -4,-3.5 3,-1.7 1,-0.3 -282,-0.3 0.913 109.4 50.7 -60.2 -45.2 19.4 31.2 10.9 460 227 B R H 3<5S+ 0 0 55 -4,-3.3 -283,-2.4 1,-0.3 -1,-0.3 0.849 107.9 55.0 -58.6 -32.7 16.0 30.8 9.1 461 228 B R T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.337 126.3 -97.9 -89.5 4.2 14.4 32.9 11.7 462 229 B G T < 5S+ 0 0 23 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.639 77.6 135.3 95.3 13.4 16.9 35.8 11.2 463 230 B F < - 0 0 10 -5,-2.4 -1,-0.3 -6,-0.2 -147,-0.2 -0.784 53.0-128.1 -88.5 138.1 19.4 35.2 14.0 464 231 B S E -N 315 0C 59 -149,-1.6 -149,-2.4 -2,-0.4 2,-0.5 -0.555 28.5-123.9 -77.1 156.4 23.0 35.4 13.2 465 232 B L E N 314 0C 71 -151,-0.2 -151,-0.3 -2,-0.2 -152,-0.1 -0.877 360.0 360.0-110.0 130.9 24.9 32.4 14.3 466 233 B K 0 0 108 -153,-2.7 -38,-0.0 -2,-0.5 -151,-0.0 -0.848 360.0 360.0 -86.6 360.0 27.9 32.4 16.6 467 !* 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 0.0 468 2 C T 0 0 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2 1,-0.3 -1,-0.3 25,-0.2 4,-0.3 0.646 93.9 64.3 -65.8 -10.7 22.4 3.0 11.0 479 13 C L G <>> + 0 0 0 -3,-3.0 4,-3.2 1,-0.2 5,-0.6 0.348 68.1 115.9 -91.5 6.4 19.8 0.4 10.1 480 14 C K H <>5S+ 0 0 83 -3,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.882 83.1 26.7 -43.7 -62.2 18.0 2.6 7.6 481 15 C E H >5S+ 0 0 52 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.887 123.6 49.3 -74.3 -38.6 18.6 0.6 4.4 482 16 C S H >5S+ 0 0 1 -4,-0.3 4,-3.1 2,-0.2 -2,-0.2 0.927 115.5 42.3 -70.7 -44.0 19.0 -2.8 5.9 483 17 C M H X5S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.840 112.7 54.4 -73.9 -30.6 15.9 -2.7 8.0 484 18 C D H X - 0 0 3 -244,-0.4 4,-2.7 112,-0.3 5,-0.2 -0.393 56.7-117.9 -56.1 144.5 19.4 7.4 17.1 505 39 C S H > S+ 0 0 1 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.835 116.1 56.8 -52.6 -37.8 19.1 4.4 19.3 506 40 C S H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.941 107.6 45.4 -60.3 -50.2 19.0 6.8 22.2 507 41 C A H > S+ 0 0 0 -247,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.926 113.7 49.9 -60.7 -45.8 16.0 8.7 20.8 508 42 C L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.909 111.9 48.2 -61.1 -44.2 14.2 5.5 20.0 509 43 C A H X S+ 0 0 0 -4,-2.8 4,-3.4 -5,-0.2 -1,-0.2 0.919 112.6 48.2 -63.5 -44.9 14.9 4.2 23.5 510 44 C R H X S+ 0 0 30 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.894 111.3 50.9 -62.1 -39.4 13.7 7.4 25.0 511 45 C Q H <>S+ 0 0 51 -4,-2.9 5,-2.8 -5,-0.2 -2,-0.2 0.939 113.4 44.8 -63.2 -44.0 10.6 7.3 22.9 512 46 C I H ><5S+ 0 0 6 -4,-2.6 3,-2.4 3,-0.2 -2,-0.2 0.942 110.5 54.1 -65.4 -45.9 9.9 3.8 23.9 513 47 C E H 3<5S+ 0 0 29 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.877 107.8 52.4 -52.2 -38.4 10.6 4.6 27.6 514 48 C Q T 3<5S- 0 0 84 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.319 134.4 -86.9 -88.5 6.7 8.0 7.4 27.2 515 49 C G T < 5 + 0 0 58 -3,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.463 66.2 160.7 108.3 5.6 5.4 5.0 25.8 516 50 C A < - 0 0 29 -5,-2.8 2,-2.3 -6,-0.2 -1,-0.3 -0.401 46.9-123.7 -56.3 127.4 6.0 4.8 22.1 517 51 C P + 0 0 113 0, 0.0 -45,-0.2 0, 0.0 -1,-0.1 -0.276 49.0 162.1 -78.2 58.2 4.2 1.6 21.1 518 52 C A - 0 0 5 -2,-2.3 -45,-0.2 1,-0.1 3,-0.1 -0.473 29.0-164.8 -74.2 146.8 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