==== 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 HYDROLASE 25-NOV-08 3FDG . COMPND 2 MOLECULE: DIPEPTIDASE AC. METALLO PEPTIDASE. MEROPS FAMILY . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOBACTER SPHAEROIDES; . AUTHOR R.ZHANG,C.HATZOS,L.FREEMAN,A.JOACHIMIAK,MIDWEST CENTER FOR S . 686 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 2 0.3 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 . 36 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 3.2 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 2 4 2 4 5 3 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 4 4 4 0 1 1 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 . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 1 1 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 E 0 0 195 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.3 40.2 15.9 36.6 2 4 A T - 0 0 60 3,-0.0 43,-0.1 306,-0.0 302,-0.0 -0.738 360.0-132.2 -72.2 132.8 43.5 17.5 35.6 3 5 A I - 0 0 7 -2,-0.4 44,-0.1 302,-0.1 305,-0.1 -0.806 24.8-105.9 -89.9 133.0 42.5 21.1 35.0 4 6 A P - 0 0 54 0, 0.0 2,-0.5 0, 0.0 42,-0.2 -0.336 38.3-143.5 -56.5 135.1 43.9 22.4 31.6 5 7 A V E -a 46 0A 4 40,-3.0 42,-2.6 321,-0.1 43,-1.2 -0.911 12.4-160.2-108.2 132.3 46.8 24.8 32.3 6 8 A F E -a 48 0A 0 319,-2.9 279,-0.6 -2,-0.5 2,-0.3 -0.925 23.8-148.6-103.9 131.9 47.5 27.9 30.3 7 9 A D E -ab 49 285A 2 41,-2.5 43,-2.0 -2,-0.5 279,-0.2 -0.792 18.2-143.9-115.5 146.9 51.1 28.9 30.8 8 10 A G E S+ 0 0 0 277,-2.5 2,-0.2 -2,-0.3 278,-0.2 0.640 78.0 5.3 -81.1 -12.5 53.0 32.2 30.9 9 11 A H E + 0 0 0 43,-0.0 279,-2.5 42,-0.0 280,-0.9 -0.791 53.3 162.8-173.9 124.5 56.3 31.3 29.3 10 12 A N E -ac 51 289A 0 40,-1.5 42,-2.5 -2,-0.2 3,-0.3 -0.988 25.9-149.7-140.6 160.8 58.2 28.5 27.5 11 13 A D >> + 0 0 8 278,-2.6 3,-1.6 -2,-0.3 4,-0.8 -0.133 53.1 128.0-117.6 33.6 61.3 28.3 25.3 12 14 A F H >> + 0 0 0 1,-0.3 3,-1.0 2,-0.2 4,-1.0 0.869 67.4 66.9 -55.8 -34.1 60.3 25.4 23.2 13 15 A L H 3> S+ 0 0 0 39,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.815 90.1 63.4 -59.3 -24.4 61.1 27.5 20.1 14 16 A L H <> S+ 0 0 19 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.855 97.4 57.1 -72.1 -30.6 64.8 27.5 21.1 15 17 A R H < + 0 0 68 -4,-1.0 3,-1.3 -3,-0.3 -1,-0.3 -0.375 66.4 157.1-140.0 66.0 67.9 21.5 15.6 20 22 A P G > S+ 0 0 63 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.845 71.1 65.2 -61.6 -30.8 65.7 22.6 12.7 21 23 A A G 3 S+ 0 0 90 1,-0.3 3,-0.3 2,-0.1 -5,-0.1 0.799 107.8 41.9 -60.3 -26.3 66.3 19.5 10.6 22 24 A N G <> S+ 0 0 57 -3,-1.3 4,-2.3 1,-0.2 3,-0.3 0.216 77.7 118.0-105.5 14.0 64.6 17.4 13.2 23 25 A R H <> S+ 0 0 28 -3,-1.9 4,-2.7 1,-0.2 5,-0.4 0.833 70.5 57.7 -53.3 -42.1 61.7 19.8 13.9 24 26 A E H > S+ 0 0 94 -4,-0.3 4,-2.2 -3,-0.3 5,-0.5 0.941 113.6 38.4 -55.2 -54.9 59.0 17.2 12.7 25 27 A T H >>S+ 0 0 46 -3,-0.3 5,-3.1 3,-0.2 4,-2.0 0.931 115.6 51.5 -59.1 -46.7 60.0 14.6 15.3 26 28 A I H <5S+ 0 0 3 -4,-2.3 5,-0.3 3,-0.2 -2,-0.2 0.903 121.3 31.9 -65.5 -42.1 60.7 17.1 18.1 27 29 A W H <5S+ 0 0 0 -4,-2.7 11,-2.5 -5,-0.2 -2,-0.2 0.960 129.4 31.9 -80.5 -53.4 57.3 18.8 17.8 28 30 A L H <5S+ 0 0 54 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.782 137.5 14.5 -81.9 -28.7 55.0 16.0 16.7 29 31 A K T <5S- 0 0 163 -4,-2.0 -3,-0.2 -5,-0.5 -4,-0.1 0.700 98.5-120.1-113.5 -33.9 56.5 13.0 18.3 30 32 A G < - 0 0 13 -5,-3.1 -3,-0.1 -6,-0.2 7,-0.1 -0.083 6.0-128.6 95.1 147.8 59.0 14.2 21.0 31 33 A D - 0 0 55 2,-0.4 -1,-0.1 -5,-0.3 -5,-0.1 0.068 48.1-106.9-117.6 22.7 62.7 13.3 20.8 32 34 A G S S+ 0 0 78 1,-0.2 2,-0.3 -3,-0.1 -2,-0.0 0.595 91.3 93.6 56.6 20.5 62.7 12.1 24.4 33 35 A T + 0 0 76 3,-0.1 -2,-0.4 -7,-0.1 -1,-0.2 -0.820 68.4 19.6-124.0 168.8 64.6 15.2 25.7 34 36 A G S S- 0 0 34 -2,-0.3 3,-0.1 1,-0.2 255,-0.0 -0.009 88.5 -75.8 74.8-169.8 63.4 18.5 27.2 35 37 A H S S+ 0 0 26 265,-0.1 266,-2.5 1,-0.1 2,-0.3 0.638 96.6 44.9-104.9 -23.6 60.1 19.4 28.8 36 38 A L + 0 0 0 264,-0.1 2,-0.3 -3,-0.1 -3,-0.1 -0.954 41.3 135.7-132.2 150.3 57.6 19.9 25.9 37 39 A D > - 0 0 2 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.862 61.9 -89.9-173.5 170.3 56.3 18.5 22.7 38 40 A L H > S+ 0 0 1 -11,-2.5 4,-2.1 -2,-0.3 5,-0.2 0.927 121.9 46.6 -60.1 -51.2 52.7 18.1 21.3 39 41 A P H > S+ 0 0 57 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.917 114.9 47.9 -58.8 -38.1 52.0 14.5 22.7 40 42 A R H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.847 107.0 56.0 -72.7 -34.1 53.4 15.4 26.1 41 43 A M H X>S+ 0 0 0 -4,-2.2 5,-2.9 2,-0.2 4,-0.9 0.903 111.5 45.1 -54.8 -50.3 51.3 18.7 26.2 42 44 A K H ><5S+ 0 0 100 -4,-2.1 3,-0.8 2,-0.2 -2,-0.2 0.935 112.5 50.0 -60.5 -51.8 48.2 16.6 25.6 43 45 A E H 3<5S+ 0 0 141 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 115.6 43.3 -56.3 -36.3 49.2 14.0 28.2 44 46 A G H 3<5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.547 113.1-109.4 -97.7 0.7 49.9 16.6 30.9 45 47 A G T <<5 + 0 0 22 -4,-0.9 -40,-3.0 -3,-0.8 2,-0.7 0.788 54.6 165.5 80.9 30.2 46.8 18.9 30.3 46 48 A F E < -a 5 0A 3 -5,-2.9 -1,-0.2 -42,-0.2 -40,-0.2 -0.724 13.7-176.1 -75.7 110.9 48.8 21.9 28.8 47 49 A A E - 0 0 13 -42,-2.6 68,-2.2 -2,-0.7 2,-0.3 0.743 54.4 -69.7 -80.7 -24.8 46.0 24.0 27.2 48 50 A G E -ad 6 115A 0 -43,-1.2 -41,-2.5 66,-0.3 -1,-0.3 -0.934 52.8-171.4 155.1-177.5 48.4 26.6 25.7 49 51 A G E -ad 7 116A 0 66,-1.6 68,-2.4 -2,-0.3 2,-0.6 -0.986 40.2 -60.5 179.4-180.0 50.8 29.3 26.6 50 52 A F E - d 0 117A 0 -43,-2.0 -40,-1.5 -2,-0.3 2,-0.7 -0.772 44.1-152.3 -82.9 128.5 53.1 32.1 25.5 51 53 A F E -ad 10 118A 0 66,-3.0 68,-2.0 -2,-0.6 2,-0.3 -0.869 18.6-137.4-106.5 111.3 55.8 30.7 23.2 52 54 A A E - d 0 119A 0 -42,-2.5 2,-0.7 -2,-0.7 -39,-0.3 -0.522 11.5-152.8 -77.0 132.3 58.9 33.0 23.5 53 55 A I E + d 0 120A 1 66,-3.3 68,-3.3 -2,-0.3 2,-0.4 -0.914 31.6 173.1 -89.1 113.7 61.0 34.2 20.7 54 56 A Y - 0 0 23 -2,-0.7 68,-0.1 66,-0.2 69,-0.1 -0.988 28.4-144.0-134.5 122.7 64.3 34.6 22.5 55 57 A V - 0 0 10 66,-0.5 2,-0.1 -2,-0.4 69,-0.1 -0.740 27.0-140.4 -88.4 113.3 67.6 35.4 20.8 56 58 A P - 0 0 26 0, 0.0 21,-0.0 0, 0.0 -1,-0.0 -0.422 4.6-128.9 -81.9 153.2 70.4 33.6 22.6 57 59 A S 0 0 26 1,-0.1 11,-0.0 -2,-0.1 12,-0.0 -0.565 360.0 360.0 -83.6 161.2 73.8 34.9 23.4 58 60 A P 0 0 167 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.997 360.0 360.0 -62.0 360.0 77.1 33.0 22.6 59 ! 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 60 76 A P 0 0 159 0, 0.0 2,-0.3 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0 122.7 76.4 33.0 46.5 61 77 A F E -J 162 0B 82 101,-2.0 101,-2.3 2,-0.0 2,-0.3 -0.979 360.0-171.5-146.7 161.8 76.8 33.7 42.7 62 78 A E E -J 161 0B 129 -2,-0.3 99,-0.2 99,-0.2 0, 0.0 -0.947 13.3-151.2-150.2 128.1 76.6 36.2 39.9 63 79 A L - 0 0 87 97,-2.8 97,-0.2 -2,-0.3 -2,-0.0 -0.812 29.6-114.9 -94.1 139.3 76.7 35.7 36.2 64 80 A P - 0 0 121 0, 0.0 96,-0.2 0, 0.0 -1,-0.0 -0.357 34.1-101.7 -67.4 157.4 78.1 38.6 34.1 65 81 A L - 0 0 83 94,-0.1 85,-0.2 1,-0.1 3,-0.1 -0.589 38.2-124.4 -73.5 136.9 75.8 40.4 31.6 66 82 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.393 36.6 -85.8 -72.2 164.0 76.3 39.3 28.0 67 83 A P - 0 0 103 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.357 51.6 -93.3 -67.6 155.6 77.1 41.9 25.4 68 84 A M - 0 0 83 -3,-0.1 2,-0.4 84,-0.1 84,-0.1 -0.323 32.4-146.5 -62.9 143.1 74.2 43.7 23.6 69 85 A I - 0 0 31 82,-0.4 2,-0.1 -3,-0.1 -14,-0.0 -0.976 16.6-140.7-112.1 130.0 73.0 42.2 20.3 70 86 A R >> - 0 0 143 -2,-0.4 4,-2.2 82,-0.1 3,-1.0 -0.495 26.0-100.6 -91.6 165.8 71.8 44.7 17.7 71 87 A A H 3> S+ 0 0 20 1,-0.3 4,-3.2 2,-0.2 -1,-0.1 0.857 117.7 61.2 -53.5 -42.4 68.7 44.4 15.4 72 88 A E H 34 S+ 0 0 129 1,-0.2 -1,-0.3 2,-0.2 355,-0.1 0.864 115.0 33.2 -52.5 -43.1 70.8 43.5 12.4 73 89 A Q H <> S+ 0 0 110 -3,-1.0 4,-0.6 2,-0.1 -1,-0.2 0.763 121.9 48.1 -84.3 -30.3 72.1 40.3 14.1 74 90 A A H X S+ 0 0 0 -4,-2.2 4,-3.2 50,-0.2 3,-0.3 0.845 96.6 70.7 -78.5 -35.3 69.0 39.6 16.1 75 91 A Q H X S+ 0 0 18 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.899 96.5 48.3 -53.5 -49.4 66.4 39.9 13.3 76 92 A P H > S+ 0 0 14 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.860 114.4 48.0 -59.7 -36.1 67.3 36.7 11.4 77 93 A V H X S+ 0 0 38 -4,-0.6 4,-2.3 -3,-0.3 -2,-0.2 0.940 112.6 47.4 -68.2 -48.3 67.3 34.7 14.6 78 94 A A H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 5,-0.2 0.901 113.2 49.7 -61.4 -37.9 63.9 36.1 15.7 79 95 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.863 107.9 54.0 -65.0 -37.5 62.5 35.5 12.2 80 96 A A H X S+ 0 0 37 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.931 112.8 43.0 -58.9 -48.0 63.8 31.9 12.3 81 97 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.900 113.1 50.3 -67.2 -44.6 62.0 31.3 15.6 82 98 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.890 109.9 53.7 -57.8 -38.0 58.8 33.1 14.5 83 99 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 106.9 50.3 -62.8 -40.9 59.0 30.9 11.3 84 100 A H H X S+ 0 0 11 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.843 107.3 54.3 -64.5 -38.2 59.2 27.7 13.4 85 101 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.911 110.4 45.4 -65.6 -42.0 56.1 28.8 15.5 86 102 A L H X S+ 0 0 9 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.935 111.5 54.5 -67.4 -39.8 54.0 29.3 12.3 87 103 A W H X S+ 0 0 21 -4,-2.4 4,-3.4 1,-0.2 5,-0.3 0.907 101.5 57.8 -56.5 -42.3 55.4 25.9 11.0 88 104 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.923 107.7 48.2 -55.3 -42.3 54.2 24.2 14.3 89 105 A E H X>S+ 0 0 50 -4,-1.5 5,-0.8 2,-0.2 4,-0.5 0.917 113.2 46.0 -68.7 -43.9 50.7 25.4 13.5 90 106 A R H ><5S+ 0 0 86 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.954 115.7 47.2 -56.5 -47.5 50.9 24.1 9.9 91 107 A A H 3<5S+ 0 0 18 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.734 104.4 58.7 -71.0 -25.4 52.3 20.8 11.0 92 108 A A H ><5S- 0 0 0 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.3 0.545 94.9-142.7 -88.4 -1.4 49.8 20.2 13.8 93 109 A R T <<5S- 0 0 226 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.877 74.2 -31.8 49.6 51.2 47.0 20.3 11.2 94 110 A G T 3 S- 0 0 60 1,-0.1 4,-2.1 238,-0.0 5,-0.2 -0.969 77.5-121.2-136.4 159.7 42.9 37.6 20.4 102 118 A A H > S+ 0 0 4 236,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.878 115.0 56.1 -64.2 -36.2 41.5 36.8 23.9 103 119 A A H > S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 105.8 51.4 -63.7 -38.6 38.4 35.3 22.2 104 120 A E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.908 108.8 50.6 -63.8 -45.9 40.6 32.9 20.1 105 121 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.948 112.0 48.0 -53.1 -49.2 42.4 31.7 23.2 106 122 A R H X S+ 0 0 97 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.894 110.0 50.8 -64.6 -36.9 39.1 31.0 24.9 107 123 A S H X S+ 0 0 64 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.891 108.8 52.2 -67.1 -37.6 37.7 29.2 21.9 108 124 A C H X>S+ 0 0 2 -4,-2.3 5,-2.8 2,-0.2 4,-0.8 0.919 109.0 51.2 -59.3 -43.4 40.8 27.0 21.8 109 125 A H H ><5S+ 0 0 52 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.951 111.4 46.2 -60.0 -52.4 40.3 26.2 25.4 110 126 A A H 3<5S+ 0 0 78 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.5 44.5 -56.2 -37.0 36.7 25.2 24.8 111 127 A D H 3<5S- 0 0 109 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.459 109.6-117.7 -91.4 -3.4 37.7 23.1 21.8 112 128 A G T <<5 + 0 0 46 -3,-1.1 2,-0.4 -4,-0.8 -3,-0.2 0.793 65.7 144.8 65.5 30.2 40.7 21.4 23.3 113 129 A I < - 0 0 45 -5,-2.8 -1,-0.3 -6,-0.2 2,-0.2 -0.854 55.6-116.4 -98.7 132.2 43.0 23.0 20.8 114 130 A V E - e 0 96A 0 -19,-2.2 -17,-2.7 -2,-0.4 2,-0.3 -0.506 33.9-149.4 -73.1 131.7 46.5 23.9 22.1 115 131 A S E -de 48 97A 0 -68,-2.2 -66,-1.6 -2,-0.2 2,-0.4 -0.733 13.0-167.8-101.8 154.1 46.9 27.7 22.0 116 132 A G E -de 49 98A 0 -19,-2.3 -17,-2.7 -2,-0.3 2,-0.5 -0.993 8.6-156.6-140.2 136.6 50.1 29.6 21.5 117 133 A I E -d 50 0A 0 -68,-2.4 -66,-3.0 -2,-0.4 2,-0.6 -0.926 25.9-124.1-107.7 128.8 50.8 33.3 21.9 118 134 A M E +df 51 141A 0 22,-0.5 24,-2.5 -2,-0.5 25,-1.0 -0.653 40.5 176.8 -72.1 117.7 53.7 34.7 20.0 119 135 A H E -df 52 143A 0 -68,-2.0 -66,-3.3 -2,-0.6 2,-0.5 -0.914 23.5-148.8-127.0 144.1 55.9 36.4 22.6 120 136 A M E -df 53 144A 3 23,-1.7 25,-3.0 -2,-0.3 2,-0.8 -0.971 5.3-159.6-116.5 124.8 59.3 38.1 22.3 121 137 A E E S+ f 0 145A 6 -68,-3.3 -66,-0.5 -2,-0.5 27,-0.2 -0.870 77.5 8.8-106.2 98.0 61.7 37.9 25.3 122 138 A G S S- 0 0 3 23,-2.4 3,-0.4 -2,-0.8 25,-0.3 0.331 77.4-127.1 95.9 126.4 64.1 40.7 24.8 123 139 A A > + 0 0 0 23,-2.0 3,-2.4 1,-0.2 -1,-0.1 0.011 66.2 126.4-101.5 28.0 63.4 43.2 22.1 124 140 A E T 3 + 0 0 8 1,-0.3 -50,-0.2 -3,-0.1 -49,-0.2 0.853 69.7 61.3 -53.3 -35.5 66.8 43.1 20.3 125 141 A A T 3 S+ 0 0 1 -3,-0.4 2,-0.6 -51,-0.2 -1,-0.3 0.548 92.6 78.8 -73.7 -3.4 65.0 42.4 17.0 126 142 A I S < S- 0 0 2 -3,-2.4 -55,-0.1 6,-0.1 -3,-0.1 -0.924 80.1-136.3-104.5 125.5 63.2 45.7 17.2 127 143 A G > - 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0 0 38 -2,-0.3 -44,-2.9 -4,-0.1 -43,-0.4 -0.846 50.8-167.6 -87.7 131.3 66.1 55.9 -16.3 644 310 B I - 0 0 8 -2,-0.5 -46,-0.2 -46,-0.2 -47,-0.0 -0.626 29.1 -68.0-122.8 169.4 62.9 56.8 -18.1 645 311 B P >> - 0 0 1 0, 0.0 4,-2.4 0, 0.0 3,-1.9 -0.264 37.6-125.4 -66.3 146.8 62.0 58.9 -21.1 646 312 B Q T 34 S+ 0 0 117 -36,-2.8 -35,-0.1 1,-0.3 -33,-0.1 0.830 110.4 62.1 -54.1 -34.9 62.3 62.7 -20.9 647 313 B G T 34 S+ 0 0 33 -35,-0.4 -1,-0.3 -37,-0.3 9,-0.1 0.689 115.5 31.3 -65.6 -22.3 58.6 63.0 -21.9 648 314 B I T <4 S+ 0 0 3 -3,-1.9 2,-1.9 8,-0.1 -2,-0.2 0.866 77.2 161.4 -94.5 -61.9 57.6 61.1 -18.7 649 315 B A < - 0 0 58 -4,-2.4 2,-0.3 4,-0.1 -5,-0.2 -0.221 66.9 -12.4 75.0 -43.3 60.4 62.2 -16.4 650 316 B D S > S- 0 0 26 -2,-1.9 3,-2.1 -3,-0.1 -274,-0.1 -0.894 95.2 -66.1-165.6-169.5 58.6 61.3 -13.1 651 317 B V G > S+ 0 0 0 -276,-2.3 3,-1.7 1,-0.3 -275,-0.1 0.791 124.2 68.1 -69.2 -24.3 55.1 60.3 -11.9 652 318 B T G 3 S+ 0 0 43 -277,-0.3 -1,-0.3 1,-0.3 4,-0.3 0.647 90.6 67.4 -68.1 -6.6 53.8 63.8 -12.8 653 319 B G G <> + 0 0 7 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.438 68.6 95.3 -90.4 -1.6 54.4 62.8 -16.5 654 320 B L H <> S+ 0 0 2 -3,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.870 82.0 55.3 -56.3 -40.2 51.7 60.0 -16.5 655 321 B P H > S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.884 106.1 51.2 -60.0 -40.0 49.2 62.5 -18.0 656 322 B A H > S+ 0 0 43 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.847 109.7 50.1 -58.6 -41.5 51.7 63.2 -20.9 657 323 B L H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.932 109.7 50.6 -63.7 -44.1 52.0 59.5 -21.5 658 324 B Q H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.917 108.8 52.0 -62.1 -39.8 48.2 59.2 -21.6 659 325 B A H X S+ 0 0 56 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.920 109.4 49.5 -62.8 -39.6 47.9 62.0 -24.1 660 326 B A H X S+ 0 0 14 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.897 111.6 49.5 -66.5 -37.6 50.4 60.3 -26.4 661 327 B M H <>S+ 0 0 1 -4,-2.5 5,-1.9 2,-0.2 4,-0.3 0.914 113.7 45.2 -64.2 -44.9 48.4 57.1 -26.1 662 328 B R H ><5S+ 0 0 51 -4,-2.8 3,-2.1 1,-0.2 -2,-0.2 0.931 110.8 52.3 -64.1 -45.2 45.2 58.8 -26.9 663 329 B A H 3<5S+ 0 0 89 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.761 104.1 59.3 -64.8 -24.0 46.8 60.7 -29.8 664 330 B H T 3<5S- 0 0 80 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.551 127.1-102.4 -79.0 -8.9 48.0 57.3 -31.0 665 331 B G T < 5 + 0 0 62 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.610 67.0 150.7 98.3 16.5 44.3 56.3 -31.2 666 332 B Y < - 0 0 20 -5,-1.9 -1,-0.3 4,-0.1 -2,-0.1 -0.659 41.8-134.2 -70.8 128.8 43.6 54.1 -28.2 667 333 B D > - 0 0 96 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.226 23.0 -97.5 -81.5 177.3 40.0 54.6 -27.3 668 334 B E H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 119.7 52.0 -69.3 -43.1 38.7 55.2 -23.7 669 335 B P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.910 113.6 46.9 -60.8 -35.6 37.7 51.8 -22.7 670 336 B L H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.898 110.0 54.4 -66.2 -43.1 41.2 50.5 -23.8 671 337 B M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.882 108.1 48.4 -53.0 -44.3 42.8 53.4 -21.9 672 338 B R H X>S+ 0 0 92 -4,-2.4 5,-2.6 2,-0.2 4,-2.2 0.913 112.2 49.2 -71.0 -34.1 41.0 52.4 -18.7 673 339 B K H <>S+ 0 0 50 -4,-1.7 5,-2.4 -5,-0.2 6,-0.4 0.973 115.9 42.9 -64.7 -49.7 42.1 48.8 -19.2 674 340 B L H <5S+ 0 0 1 -4,-3.1 -39,-0.5 1,-0.2 -2,-0.2 0.836 116.1 48.4 -66.0 -38.5 45.7 49.8 -19.8 675 341 B C H <5S- 0 0 1 -4,-2.8 -329,-2.8 -5,-0.2 -1,-0.2 0.873 138.9 -38.3 -72.4 -38.4 45.8 52.4 -16.9 676 342 B H T X5S+ 0 0 13 -4,-2.2 4,-2.0 -331,-0.2 -3,-0.2 0.523 115.2 79.4-154.4 -32.1 44.2 50.2 -14.1 677 343 B E H > S+ 0 0 1 -6,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.913 111.1 51.8 -60.9 -42.7 45.7 45.0 -13.2 680 346 B Y H X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.914 111.3 47.5 -64.7 -42.8 42.6 44.8 -11.0 681 347 B G H X S+ 0 0 14 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.883 110.3 52.0 -58.2 -43.9 41.3 42.0 -13.1 682 348 B L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.925 106.6 54.0 -59.7 -41.9 44.7 40.2 -12.8 683 349 B L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.5 0.927 108.3 49.9 -60.9 -40.4 44.7 40.6 -9.0 684 350 B E H X S+ 0 0 58 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.879 111.9 47.9 -64.9 -39.0 41.2 38.9 -8.9 685 351 B R H < S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.743 119.3 39.4 -71.1 -26.9 42.5 36.0 -11.1 686 352 B S H < S+ 0 0 9 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.770 133.5 17.7 -88.9 -38.5 45.6 35.6 -9.0 687 353 B W H < S- 0 0 33 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.597 112.2 -98.2-108.0 -22.3 44.3 36.1 -5.4 688 354 B G < 0 0 42 -4,-1.6 -236,-0.5 -5,-0.5 -3,-0.1 -0.017 360.0 360.0 104.2 145.8 40.5 35.6 -5.8 689 355 B A 0 0 114 -5,-0.1 -5,-0.1 -237,-0.1 -1,-0.0 -0.871 360.0 360.0 -96.9 360.0 37.7 38.2 -6.1