==== 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 LYASE 02-MAR-01 1I6O . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.D.CRONK,J.A.ENDRIZZI,M.R.CRONK,J.W.O'NEILL,K.Y.J.ZHANG . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18866.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 323 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 25 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 0 4 2 0 4 0 0 0 2 0 2 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 3 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 1 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 D > 0 0 102 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-174.4 42.7 23.1 62.8 2 4 A I H >> + 0 0 20 1,-0.2 4,-1.7 2,-0.2 3,-0.5 0.903 360.0 56.4 -53.3 -51.5 45.1 20.2 62.2 3 5 A D H 3> S+ 0 0 107 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.872 103.5 56.7 -50.8 -41.3 47.6 21.1 64.9 4 6 A T H 3> S+ 0 0 66 -3,-0.4 4,-3.1 1,-0.2 -1,-0.3 0.911 103.5 54.1 -57.5 -44.9 44.8 21.0 67.4 5 7 A L H < + 0 0 83 -4,-3.2 3,-1.6 -5,-0.2 4,-0.5 -0.714 61.9 179.0-134.6 84.6 44.2 3.2 82.6 21 23 A P T 3 S+ 0 0 88 0, 0.0 4,-0.2 0, 0.0 -4,-0.1 0.535 86.8 57.0 -62.0 -3.3 47.6 1.8 81.5 22 24 A G T >> S+ 0 0 14 -6,-0.2 4,-2.7 2,-0.1 3,-1.0 0.677 77.8 89.6-100.1 -22.4 45.6 -1.3 80.5 23 25 A F H <> S+ 0 0 31 -3,-1.6 4,-1.3 1,-0.3 -1,-0.1 0.863 95.3 40.6 -40.0 -51.9 43.2 0.4 78.1 24 26 A F H 3> S+ 0 0 9 -4,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.750 110.0 58.3 -73.9 -24.2 45.5 -0.1 75.2 25 27 A E H <> S+ 0 0 123 -3,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.901 102.0 57.1 -68.6 -40.1 46.5 -3.6 76.3 26 28 A K H < S+ 0 0 108 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.928 109.9 42.8 -53.7 -49.8 42.8 -4.4 76.0 27 29 A L H < S+ 0 0 17 -4,-1.3 4,-0.4 1,-0.2 -1,-0.2 0.911 107.1 61.8 -63.9 -42.9 42.8 -3.3 72.4 28 30 A A H < S+ 0 0 42 -4,-2.4 2,-2.5 368,-0.3 -1,-0.2 0.850 80.1 89.6 -51.1 -38.4 46.1 -5.1 71.9 29 31 A Q S < S- 0 0 126 -4,-1.9 -1,-0.2 -3,-0.3 -4,-0.0 -0.409 97.5-123.2 -64.0 80.9 44.3 -8.4 72.8 30 32 A A - 0 0 86 -2,-2.5 2,-0.5 1,-0.1 -2,-0.1 0.031 39.3-179.1 -32.2 101.7 43.3 -9.0 69.1 31 33 A Q - 0 0 139 -4,-0.4 -1,-0.1 -5,-0.0 3,-0.1 -0.949 22.9-134.1-117.2 116.5 39.5 -9.2 69.3 32 34 A K - 0 0 117 -2,-0.5 27,-0.0 1,-0.1 25,-0.0 -0.458 29.4-111.6 -68.2 131.8 37.6 -9.9 66.1 33 35 A P - 0 0 6 0, 0.0 25,-0.2 0, 0.0 24,-0.1 -0.293 19.3-159.7 -61.5 145.6 34.6 -7.6 65.6 34 36 A R S S+ 0 0 77 23,-1.0 56,-1.7 54,-0.2 55,-1.7 0.518 73.4 56.2-102.7 -9.2 31.2 -9.4 65.9 35 37 A F E -ab 58 90A 5 22,-1.1 24,-3.0 53,-0.2 2,-0.5 -0.947 62.2-155.1-128.1 146.5 29.4 -6.6 64.1 36 38 A L E -ab 59 91A 0 54,-2.3 56,-3.3 -2,-0.4 2,-0.5 -0.976 15.9-160.3-116.0 127.1 29.7 -4.9 60.7 37 39 A W E -ab 60 92A 3 22,-2.7 24,-2.6 -2,-0.5 2,-0.7 -0.954 6.9-170.3-113.8 121.2 28.3 -1.4 60.6 38 40 A I E +ab 61 93A 0 54,-3.4 56,-2.4 -2,-0.5 2,-0.2 -0.933 29.0 148.9-111.2 106.4 27.4 0.1 57.2 39 41 A G E -a 62 0A 0 22,-2.5 24,-1.5 -2,-0.7 27,-0.3 -0.651 45.5 -76.7-129.2-173.7 26.6 3.8 57.7 40 42 A C E > -a 63 0A 3 54,-0.4 3,-1.9 22,-0.2 24,-0.2 -0.625 30.7-125.4 -90.7 146.0 26.8 7.2 56.0 41 43 A S T 3 S+ 0 0 0 22,-1.7 234,-2.6 1,-0.3 23,-0.1 0.758 106.8 75.1 -57.1 -24.7 29.9 9.3 55.7 42 44 A D T 3 S- 0 0 17 21,-0.3 -1,-0.3 232,-0.2 231,-0.2 0.860 74.6-176.2 -55.7 -35.3 27.9 12.1 57.4 43 45 A S < + 0 0 3 -3,-1.9 228,-0.8 232,-0.1 230,-0.3 0.855 7.1 175.0 35.8 58.0 28.5 10.1 60.6 44 46 A R S S+ 0 0 40 1,-0.3 -1,-0.1 226,-0.1 228,-0.1 0.909 73.2 19.7 -56.5 -45.7 26.4 12.5 62.6 45 47 A V S S- 0 0 2 225,-0.1 -1,-0.3 226,-0.1 5,-0.1 -0.978 96.6-111.5-129.8 117.3 26.7 10.4 65.7 46 48 A P > - 0 0 8 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.104 20.1-128.8 -47.1 139.3 29.5 7.8 66.0 47 49 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.883 107.7 58.4 -58.5 -41.0 28.3 4.2 65.8 48 50 A E H >>S+ 0 0 23 1,-0.2 5,-1.8 2,-0.2 4,-1.5 0.912 109.5 43.4 -56.4 -45.1 30.3 3.3 69.0 49 51 A R H 45S+ 0 0 112 2,-0.2 -1,-0.2 3,-0.2 -2,-0.2 0.824 113.1 51.2 -72.0 -33.2 28.4 6.0 71.0 50 52 A L H <5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 122.1 31.4 -69.1 -42.7 25.0 5.1 69.6 51 53 A T H <5S- 0 0 0 -4,-2.5 172,-0.2 -5,-0.2 -2,-0.2 0.566 104.0-122.1 -92.8 -13.1 25.4 1.4 70.4 52 54 A G T <5 + 0 0 36 -4,-1.5 2,-0.3 -5,-0.3 -3,-0.2 0.886 60.5 149.7 71.8 35.8 27.5 1.7 73.4 53 55 A L < - 0 0 8 -5,-1.8 -1,-0.3 -6,-0.3 -2,-0.1 -0.788 43.3-126.1-102.8 147.9 30.2 -0.4 71.8 54 56 A E > - 0 0 82 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.567 44.3 -73.4 -90.4 156.7 33.9 -0.1 72.6 55 57 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 204,-0.2 -0.106 118.4 24.6 -48.8 140.0 36.6 0.4 69.9 56 58 A G T 3 S+ 0 0 7 202,-1.0 203,-0.1 2,-0.3 204,-0.1 0.265 94.3 96.1 88.6 -12.6 37.4 -2.6 67.8 57 59 A E S < S+ 0 0 50 -3,-1.9 -22,-1.1 -24,-0.1 -23,-1.0 0.590 80.7 60.9 -83.7 -10.6 34.0 -4.2 68.4 58 60 A L E -a 35 0A 3 200,-0.3 2,-0.4 -4,-0.2 -2,-0.3 -0.971 65.4-156.7-122.8 126.2 32.8 -2.8 65.1 59 61 A F E -a 36 0A 1 -24,-3.0 -22,-2.7 -2,-0.4 2,-0.4 -0.827 35.6-155.2 -91.1 138.4 34.1 -3.4 61.6 60 62 A V E +a 37 0A 1 196,-2.6 2,-0.4 -2,-0.4 -22,-0.2 -0.941 30.2 177.2-133.2 145.0 33.0 -0.4 59.7 61 63 A H E -a 38 0A 0 -24,-2.6 -22,-2.5 -2,-0.4 2,-0.4 -0.999 11.5-177.5-135.7 136.3 32.1 0.9 56.2 62 64 A R E +aC 39 277A 14 215,-0.9 215,-0.8 -2,-0.4 2,-0.3 -0.999 11.7 151.7-139.0 136.0 30.9 4.4 55.3 63 65 A N E > -a 40 0A 0 -24,-1.5 -22,-1.7 -2,-0.4 3,-1.6 -0.891 58.9 -61.0-147.7 172.7 29.9 6.0 52.0 64 66 A V T 3 S- 0 0 1 225,-0.3 3,-0.3 -2,-0.3 -24,-0.1 -0.496 121.7 -4.5 -68.0 116.6 27.5 8.7 51.0 65 67 A A T 3 S- 0 0 0 -2,-0.5 -1,-0.3 1,-0.2 -25,-0.2 0.690 109.9 -91.1 74.3 23.6 23.9 7.7 52.1 66 68 A N < + 0 0 2 -3,-1.6 2,-0.2 -27,-0.3 -1,-0.2 0.878 67.7 176.4 39.2 62.4 25.0 4.2 53.3 67 69 A L - 0 0 0 -3,-0.3 2,-0.4 -28,-0.1 -1,-0.1 -0.608 32.6-159.8 -96.7 154.9 24.4 2.4 50.0 68 70 A V - 0 0 2 -2,-0.2 2,-0.3 7,-0.0 87,-0.1 -0.818 21.2-165.8-130.2 83.7 25.0 -1.2 49.1 69 71 A I > - 0 0 14 -2,-0.4 3,-1.9 1,-0.1 7,-0.2 -0.575 26.6-124.2 -74.6 135.5 25.1 -1.1 45.3 70 72 A H T 3 S+ 0 0 123 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.815 109.6 32.2 -47.4 -37.6 24.9 -4.5 43.7 71 73 A T T 3 S+ 0 0 125 4,-0.0 2,-1.0 5,-0.0 -1,-0.3 0.080 82.2 119.4-113.8 22.8 28.2 -3.9 41.9 72 74 A D <> - 0 0 13 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 -0.781 40.2-170.0 -91.6 102.4 30.2 -1.7 44.2 73 75 A L H > S+ 0 0 74 -2,-1.0 4,-2.0 1,-0.2 5,-0.2 0.730 80.2 65.5 -64.6 -22.6 33.3 -3.7 45.0 74 76 A N H > S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 205,-0.3 0.995 111.9 31.4 -62.6 -62.4 34.4 -1.3 47.7 75 77 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.915 119.0 55.6 -62.1 -42.7 31.4 -2.1 50.0 76 78 A L H X S+ 0 0 23 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.832 105.3 52.5 -60.3 -33.0 31.2 -5.7 48.8 77 79 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.3 -1,-0.2 0.888 108.6 49.4 -69.9 -39.9 34.9 -6.3 49.7 78 80 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.903 114.5 47.0 -63.6 -41.6 34.3 -5.0 53.2 79 81 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.911 112.6 46.9 -67.8 -45.0 31.2 -7.3 53.4 80 82 A Q H X>S+ 0 0 3 -4,-2.7 4,-3.0 2,-0.2 5,-0.6 0.919 114.6 47.6 -64.7 -42.1 33.0 -10.4 52.1 81 83 A Y H X>S+ 0 0 17 -4,-2.4 5,-2.4 1,-0.2 4,-1.4 0.911 114.5 46.0 -64.9 -43.2 36.0 -9.9 54.4 82 84 A A H <5S+ 0 0 0 -4,-2.2 6,-2.6 3,-0.2 5,-0.5 0.877 121.7 37.6 -67.3 -38.1 33.8 -9.4 57.4 83 85 A V H <5S+ 0 0 0 -4,-2.4 -2,-0.2 4,-0.3 -3,-0.2 0.930 127.3 29.7 -80.8 -50.3 31.5 -12.4 56.6 84 86 A D H <5S+ 0 0 52 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.789 135.0 23.8 -83.3 -29.8 34.0 -14.9 55.3 85 87 A V T < - d 0 179A 10 82,-0.2 3,-1.4 -2,-0.2 84,-0.2 -0.982 20.6-109.1-150.7 136.6 19.8 8.9 59.6 97 99 A Y T 3 S+ 0 0 32 82,-1.7 84,-0.4 -2,-0.3 3,-0.1 -0.387 104.9 31.6 -65.0 138.5 17.0 11.4 59.1 98 100 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.2 -2,-0.1 5,-0.1 0.484 81.9 171.8 91.5 3.9 18.1 14.6 57.5 99 101 A C <> - 0 0 3 -3,-1.4 4,-2.2 1,-0.1 -1,-0.2 -0.222 31.2-145.0 -50.1 125.2 20.8 12.8 55.6 100 102 A G H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.867 98.8 54.0 -62.8 -37.5 22.4 15.3 53.1 101 103 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.937 110.0 46.6 -62.2 -47.1 23.0 12.5 50.5 102 104 A V H > S+ 0 0 4 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.892 115.0 46.4 -61.2 -43.4 19.3 11.5 50.6 103 105 A Q H X S+ 0 0 74 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.928 108.9 54.8 -66.2 -45.0 18.1 15.2 50.4 104 106 A A H X S+ 0 0 7 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.833 104.6 56.2 -58.6 -31.8 20.5 15.9 47.5 105 107 A A H < S+ 0 0 2 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.875 113.1 39.0 -68.3 -39.4 19.1 13.0 45.6 106 108 A V H < S+ 0 0 35 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.1 0.937 119.0 44.0 -75.8 -51.3 15.5 14.4 45.8 107 109 A E H < S- 0 0 121 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.773 95.1-154.1 -65.4 -26.1 16.3 18.1 45.3 108 110 A N < + 0 0 78 -4,-1.3 -3,-0.1 -5,-0.4 -4,-0.1 0.844 20.0 179.0 55.8 43.6 18.6 17.0 42.5 109 111 A P - 0 0 48 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.437 42.0-101.2 -74.3 152.7 21.0 19.9 42.6 110 112 A E + 0 0 195 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.575 59.8 153.0 -74.1 91.6 24.0 19.8 40.1 111 113 A L - 0 0 38 -2,-1.5 3,-0.3 1,-0.3 2,-0.3 0.516 47.0-123.8 -99.3 -8.0 26.7 18.8 42.6 112 114 A G S > S+ 0 0 41 1,-0.2 3,-2.6 -3,-0.1 4,-0.3 -0.714 72.8 1.3 102.9-154.5 29.1 17.0 40.2 113 115 A L T >> S+ 0 0 58 1,-0.3 3,-1.8 -2,-0.3 4,-0.6 0.788 120.6 68.1 -40.4 -43.2 30.4 13.5 40.2 114 116 A I H 3> S+ 0 0 0 -3,-0.3 4,-2.3 1,-0.3 -1,-0.3 0.747 82.9 74.0 -54.6 -27.3 28.5 12.6 43.4 115 117 A N H <> S+ 0 0 32 -3,-2.6 4,-0.9 1,-0.2 -1,-0.3 0.810 89.9 58.4 -59.4 -28.9 25.1 12.8 41.5 116 118 A N H X4 S+ 0 0 88 -3,-1.8 3,-0.8 -4,-0.3 4,-0.4 0.949 107.5 46.1 -64.5 -47.7 25.9 9.5 39.7 117 119 A W H >< S+ 0 0 11 -4,-0.6 3,-1.4 1,-0.2 4,-0.4 0.916 110.8 54.2 -59.1 -44.2 26.2 7.7 43.1 118 120 A L H >X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.3 3,-1.1 0.688 86.7 80.4 -67.8 -16.8 23.0 9.5 44.2 119 121 A L H S+ 0 0 74 -3,-1.4 4,-0.9 -4,-0.4 -1,-0.3 0.858 104.7 45.6 -67.2 -33.0 20.7 4.9 43.1 121 123 A I H <> S+ 0 0 0 -3,-1.1 4,-2.1 -4,-0.4 3,-0.3 0.871 108.1 55.8 -76.6 -37.7 18.6 6.7 45.7 122 124 A R H X S+ 0 0 50 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.863 101.1 59.9 -61.9 -32.6 16.5 8.5 43.0 123 125 A D H X S+ 0 0 101 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.894 107.0 46.2 -59.1 -41.1 15.7 5.0 41.7 124 126 A I H X S+ 0 0 10 -4,-0.9 4,-2.1 -3,-0.3 -2,-0.2 0.885 108.0 55.6 -69.1 -40.8 14.1 4.3 45.1 125 127 A W H < S+ 0 0 55 -4,-2.1 -2,-0.2 1,-0.2 7,-0.2 0.933 114.8 39.5 -58.2 -46.3 12.3 7.6 45.2 126 128 A F H >< S+ 0 0 118 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.823 109.6 60.4 -75.5 -29.8 10.6 6.8 41.9 127 129 A K H 3< S+ 0 0 116 -4,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.885 114.2 35.8 -63.2 -39.4 10.1 3.2 42.8 128 130 A H T 3X S+ 0 0 12 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 -0.069 79.3 128.4-105.1 32.5 8.0 4.1 45.7 129 131 A S H <> S+ 0 0 66 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.846 72.2 49.5 -57.6 -38.3 6.3 7.1 44.1 130 132 A S H > S+ 0 0 93 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.963 112.8 45.7 -66.7 -52.0 2.7 6.0 44.9 131 133 A L H 4 S+ 0 0 6 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.943 119.2 41.6 -55.1 -51.1 3.5 5.3 48.6 132 134 A L H < S+ 0 0 4 -4,-2.6 3,-0.2 -7,-0.2 -1,-0.2 0.873 110.5 59.8 -65.8 -36.8 5.3 8.6 49.0 133 135 A G H < S+ 0 0 38 -4,-2.4 2,-3.0 -5,-0.3 -2,-0.2 0.957 97.1 57.5 -55.8 -56.9 2.8 10.5 46.9 134 136 A E S < S+ 0 0 144 -4,-2.4 -1,-0.3 -5,-0.1 -4,-0.1 -0.410 101.6 79.9 -75.2 67.9 -0.1 9.7 49.2 135 137 A X S S- 0 0 35 -2,-3.0 5,-0.1 -3,-0.2 -3,-0.0 -0.928 95.8 -79.5-171.5 144.8 1.7 11.3 52.0 136 138 A P >> - 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0 0 2 -2,-0.2 2,-0.3 7,-0.0 87,-0.0 -0.785 21.9-167.3-127.8 80.5 42.2 5.4 47.4 284 71 B I > - 0 0 13 -2,-0.4 3,-2.2 1,-0.1 7,-0.2 -0.565 28.2-123.6 -74.0 131.1 42.0 3.4 44.2 285 72 B H T 3 S+ 0 0 122 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.825 109.9 30.6 -41.7 -41.1 42.3 5.5 41.1 286 73 B T T 3 S+ 0 0 123 5,-0.0 2,-1.0 4,-0.0 -1,-0.3 0.058 81.0 120.4-114.6 27.3 39.0 4.1 39.9 287 74 B D <> - 0 0 12 -3,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.801 40.3-169.3 -91.8 104.8 37.0 3.3 43.0 288 75 B L H > S+ 0 0 74 -2,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.639 80.2 65.8 -69.7 -14.3 33.9 5.5 42.5 289 76 B N H > S+ 0 0 1 2,-0.2 4,-1.6 3,-0.1 -225,-0.3 0.986 112.9 30.0 -69.1 -58.6 32.8 4.8 46.1 290 77 B C H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.914 118.9 56.1 -66.4 -44.1 35.7 6.6 47.7 291 78 B L H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.876 108.0 49.6 -56.9 -37.1 36.0 9.1 44.8 292 79 B S H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.881 109.7 50.1 -70.2 -38.3 32.4 10.1 45.3 293 80 B V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.945 113.8 47.3 -62.3 -46.9 32.9 10.6 49.0 294 81 B V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.934 111.3 49.2 -60.0 -49.0 36.0 12.7 48.2 295 82 B Q H X>S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 5,-0.7 0.896 112.4 47.6 -61.3 -41.3 34.2 14.8 45.5 296 83 B Y H X>S+ 0 0 17 -4,-2.2 5,-2.6 3,-0.2 4,-1.4 0.913 114.9 47.0 -65.7 -41.8 31.2 15.6 47.8 297 84 B A H <>S+ 0 0 0 -4,-2.2 6,-2.3 3,-0.2 5,-1.2 0.933 121.3 35.9 -64.8 -47.9 33.5 16.5 50.6 298 85 B V H <5S+ 0 0 0 -4,-3.1 -2,-0.2 4,-0.2 -3,-0.2 0.949 129.0 29.2 -73.0 -52.8 35.8 18.7 48.5 299 86 B D H <5S+ 0 0 58 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.765 134.2 25.3 -83.5 -27.4 33.3 20.3 46.0 300 87 B V T < - i 0 394A 7 82,-0.2 3,-1.4 -2,-0.2 84,-0.2 -0.986 19.7-108.8-151.5 139.9 47.3 1.8 61.5 312 99 B Y T 3 S+ 0 0 24 82,-2.0 84,-0.4 -2,-0.3 45,-0.1 -0.462 105.2 31.1 -68.3 134.6 50.1 -0.7 62.3 313 100 B G T 3 S+ 0 0 55 1,-0.3 -1,-0.2 -2,-0.2 44,-0.1 0.393 81.0 169.2 97.3 -1.6 48.9 -4.3 62.5 314 101 B C <> - 0 0 3 -3,-1.4 4,-2.1 1,-0.1 -1,-0.3 -0.175 34.0-142.4 -47.3 124.9 46.1 -3.7 60.0 315 102 B G H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.842 98.4 55.9 -61.2 -34.1 44.6 -7.0 59.0 316 103 B G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.965 107.8 45.7 -62.9 -54.0 44.2 -5.9 55.4 317 104 B V H > S+ 0 0 5 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.899 114.5 50.0 -55.2 -43.0 47.9 -5.1 54.9 318 105 B Q H X S+ 0 0 75 -4,-2.1 4,-2.2 1,-0.2 5,-0.4 0.869 109.0 50.8 -65.8 -37.7 48.8 -8.3 56.6 319 106 B A H X S+ 0 0 8 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.824 105.3 58.5 -69.3 -30.3 46.5 -10.4 54.4 320 107 B A H < S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.888 114.8 35.4 -65.6 -39.1 48.0 -8.7 51.3 321 108 B V H < S+ 0 0 35 -4,-1.5 -2,-0.2 -5,-0.1 -3,-0.1 0.981 120.9 41.9 -78.0 -66.6 51.5 -10.0 52.3 322 109 B E H < S- 0 0 120 -4,-2.2 -3,-0.2 -5,-0.1 -2,-0.2 0.806 93.8-160.1 -50.4 -30.2 50.8 -13.4 53.7 323 110 B N < + 0 0 73 -4,-1.3 -3,-0.1 -5,-0.4 -4,-0.1 0.865 15.3 179.2 51.1 50.1 48.3 -13.7 50.8 324 111 B P - 0 0 52 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.263 45.0 -93.9 -71.7 171.5 46.1 -16.5 52.1 325 112 B E + 0 0 196 1,-0.2 -2,-0.0 5,-0.0 0, 0.0 -0.648 62.9 153.6 -88.2 84.2 43.2 -17.5 49.9 326 113 B L - 0 0 36 -2,-1.6 2,-0.3 1,-0.3 3,-0.3 0.658 45.1-129.7 -86.8 -18.7 40.5 -15.3 51.5 327 114 B G S > S+ 0 0 40 -3,-0.2 3,-2.3 1,-0.2 4,-0.4 -0.815 70.4 6.1 109.5-148.4 38.2 -15.0 48.5 328 115 B L T >> S+ 0 0 61 -2,-0.3 3,-1.9 1,-0.3 4,-0.6 0.809 120.8 65.1 -41.4 -45.4 36.7 -11.9 46.9 329 116 B I H 3> S+ 0 0 0 1,-0.3 4,-2.0 -3,-0.3 3,-0.3 0.729 83.2 74.9 -55.2 -27.6 38.7 -9.6 49.1 330 117 B N H <> S+ 0 0 28 -3,-2.3 4,-0.8 1,-0.2 -1,-0.3 0.770 90.1 59.6 -60.7 -23.2 42.1 -10.7 47.7 331 118 B N H X4 S+ 0 0 84 -3,-1.9 3,-0.8 -4,-0.4 4,-0.3 0.945 106.2 44.9 -68.3 -47.4 41.3 -8.6 44.5 332 119 B W H >< S+ 0 0 9 -4,-0.6 3,-1.2 -3,-0.3 4,-0.3 0.873 111.0 56.3 -61.5 -38.8 41.0 -5.4 46.5 333 120 B L H >X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 3,-1.5 0.664 85.3 79.1 -71.3 -17.4 44.2 -6.4 48.3 334 121 B L H S+ 0 0 78 -3,-1.2 4,-0.6 -4,-0.3 -1,-0.3 0.792 104.2 45.6 -68.8 -26.1 46.5 -2.9 45.1 336 123 B I H <> S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.3 3,-0.3 0.832 108.0 55.8 -83.9 -34.3 48.5 -3.3 48.3 337 124 B R H X S+ 0 0 54 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.809 99.9 60.8 -66.5 -28.6 50.6 -6.1 46.9 338 125 B D H X S+ 0 0 100 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.880 107.6 45.3 -64.1 -35.2 51.6 -3.8 44.0 339 126 B I H X S+ 0 0 10 -4,-0.6 4,-2.1 -3,-0.3 -2,-0.2 0.899 107.0 57.6 -72.3 -43.3 53.1 -1.5 46.6 340 127 B W H < S+ 0 0 52 -4,-2.1 7,-0.2 1,-0.2 -2,-0.2 0.916 115.1 38.3 -52.1 -46.4 54.8 -4.3 48.4 341 128 B F H >< S+ 0 0 115 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.928 108.7 61.1 -72.2 -47.1 56.6 -5.1 45.1 342 129 B K H 3< S+ 0 0 115 -4,-2.5 3,-0.3 1,-0.3 -2,-0.2 0.841 115.2 35.4 -48.2 -38.9 57.1 -1.5 44.1 343 130 B H T 3X S+ 0 0 17 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 -0.096 77.4 130.1-108.8 33.6 59.2 -1.0 47.2 344 131 B S H <> S+ 0 0 71 -3,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.749 72.5 53.5 -59.2 -25.9 60.8 -4.4 47.3 345 132 B S H > S+ 0 0 80 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.906 111.7 43.0 -75.6 -43.5 64.3 -2.9 47.6 346 133 B L H 4 S+ 0 0 16 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.896 118.7 44.3 -68.3 -42.2 63.4 -0.8 50.6 347 134 B L H >< S+ 0 0 4 -4,-2.5 3,-0.7 -7,-0.2 -1,-0.2 0.812 112.6 52.1 -72.6 -32.3 61.4 -3.5 52.3 348 135 B G H 3< S+ 0 0 47 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.794 100.7 61.7 -74.4 -29.0 64.1 -6.2 51.6 349 136 B E T 3< S+ 0 0 143 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.1 -0.105 99.2 82.4 -87.2 35.8 66.8 -4.0 53.1 350 137 B X S < S- 0 0 54 -3,-0.7 2,-0.1 -2,-0.1 5,-0.1 -0.970 92.3 -89.5-140.8 156.1 64.9 -4.2 56.4 351 138 B P >> - 0 0 67 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.430 43.0-122.8 -64.3 133.1 64.5 -6.5 59.4 352 139 B Q G >4 S+ 0 0 149 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.844 107.7 58.2 -44.6 -47.9 61.6 -8.9 58.6 353 140 B E G 34 S+ 0 0 150 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.239 105.6 52.7 -73.6 18.5 59.6 -8.0 61.7 354 141 B R G <> S+ 0 0 87 -3,-1.9 4,-1.7 -7,-0.1 -1,-0.3 0.439 84.9 85.6-125.9 -11.6 59.5 -4.4 60.6 355 142 B R H S+ 0 0 56 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.921 111.8 47.9 -62.7 -43.2 54.4 -5.0 57.7 357 144 B D H > S+ 0 0 43 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.874 113.8 48.8 -64.1 -36.5 54.6 -1.7 59.7 358 145 B T H >X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 3,-0.7 0.938 109.9 49.5 -68.1 -48.3 56.6 -0.2 56.9 359 146 B L H 3X S+ 0 0 0 -4,-3.0 4,-3.7 1,-0.3 5,-0.2 0.914 105.3 60.3 -55.9 -42.8 54.2 -1.4 54.2 360 147 B C H 3X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.842 110.3 40.7 -53.6 -37.0 51.5 0.1 56.3 361 148 B E H < S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.2 6,-0.5 0.884 108.3 51.3 -61.9 -41.2 44.2 11.1 46.0 372 159 B G H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.4 49.7 -66.6 -32.7 46.3 14.1 44.9 373 160 B H H 3< S+ 0 0 72 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.639 85.3 110.8 -81.6 -13.1 46.4 12.8 41.4 374 161 B S S S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.788 112.7 63.1 -57.6 -27.2 40.8 14.7 38.8 376 163 B I H > S+ 0 0 10 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.940 110.0 35.7 -64.2 -47.1 38.8 15.8 41.8 377 164 B X H > S+ 0 0 0 -3,-0.5 4,-3.1 -6,-0.5 5,-0.3 0.928 114.6 54.9 -73.7 -45.4 41.9 17.1 43.6 378 165 B Q H X S+ 0 0 62 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.919 112.8 45.5 -52.8 -44.6 43.7 18.4 40.5 379 166 B S H X S+ 0 0 58 -4,-2.1 4,-2.7 -5,-0.2 6,-0.2 0.911 111.4 51.0 -65.0 -46.1 40.6 20.4 39.7 380 167 B A H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 4,-0.4 0.934 114.3 44.3 -57.7 -48.2 40.2 21.7 43.2 381 168 B W H ><5S+ 0 0 19 -4,-3.1 3,-0.7 1,-0.2 -1,-0.2 0.854 112.0 52.5 -66.6 -35.4 43.8 22.9 43.4 382 169 B K H 3<5S+ 0 0 166 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.901 105.6 54.3 -67.6 -39.1 43.6 24.4 39.9 383 170 B R T 3<5S- 0 0 129 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.605 120.0-114.9 -68.8 -10.3 40.5 26.4 40.9 384 171 B G T < 5 + 0 0 57 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.516 60.0 158.7 88.6 5.1 42.6 27.7 43.7 385 172 B Q < - 0 0 40 -5,-2.1 2,-0.9 -6,-0.2 -1,-0.3 -0.406 45.3-119.7 -64.6 135.9 40.5 26.0 46.4 386 173 B K + 0 0 191 -2,-0.1 2,-0.4 -84,-0.1 -1,-0.1 -0.688 52.0 147.2 -83.2 105.2 42.4 25.5 49.7 387 174 B V - 0 0 2 -2,-0.9 2,-0.4 22,-0.4 -82,-0.2 -0.998 26.2-163.8-139.8 133.6 42.5 21.8 50.5 388 175 B T E -i 305 0A 26 -84,-2.3 -82,-2.9 -2,-0.4 2,-0.4 -0.968 5.0-155.3-122.0 134.4 45.3 19.9 52.3 389 176 B I E -iJ 306 408A 0 19,-2.4 19,-2.0 -2,-0.4 2,-0.3 -0.905 12.1-168.1-111.2 136.3 45.8 16.2 52.3 390 177 B H E -i 307 0A 10 -84,-3.2 -82,-2.8 -2,-0.4 2,-0.6 -0.898 16.6-146.7-123.4 151.3 47.6 14.4 55.1 391 178 B G E +i 308 0A 0 -2,-0.3 13,-2.3 -84,-0.2 2,-0.2 -0.944 31.4 168.2-118.8 108.1 49.0 10.9 55.5 392 179 B W E -iK 309 403A 2 -84,-2.9 -82,-2.3 -2,-0.6 2,-0.3 -0.676 13.3-177.7-116.2 171.8 48.8 9.6 59.1 393 180 B A E -iK 310 402A 0 9,-1.3 9,-4.0 -84,-0.2 2,-0.3 -0.976 1.4-178.6-162.8 155.7 49.2 6.4 61.0 394 181 B Y E -i 311 0A 9 -84,-0.8 -82,-2.0 -2,-0.3 2,-0.3 -0.969 18.9-128.1-154.8 166.6 49.0 5.0 64.6 395 182 B G >> - 0 0 9 5,-0.5 4,-2.3 -2,-0.3 3,-1.1 -0.886 20.9-127.4-120.5 152.9 49.4 1.9 66.7 396 183 B I T 34 S+ 0 0 22 -84,-0.4 -368,-0.3 -2,-0.3 -369,-0.2 0.418 100.6 75.2 -79.2 4.6 47.0 0.3 69.2 397 184 B H T 34 S- 0 0 145 -370,-0.1 -1,-0.2 3,-0.1 -373,-0.2 0.664 124.6 -3.6 -87.6 -17.3 49.7 0.3 71.9 398 185 B D T <4 S- 0 0 58 -3,-1.1 -2,-0.2 -374,-0.1 -381,-0.1 0.376 82.0-131.4-150.5 -9.1 49.4 4.1 72.5 399 186 B G < + 0 0 0 -4,-2.3 2,-0.5 1,-0.2 -3,-0.1 0.751 53.7 155.1 55.7 24.4 46.9 5.4 70.0 400 187 B L - 0 0 66 -5,-0.3 -5,-0.5 -387,-0.1 2,-0.3 -0.748 42.7-127.6 -89.9 123.1 49.4 8.1 69.2 401 188 B L - 0 0 14 -2,-0.5 2,-0.5 -136,-0.2 -7,-0.2 -0.505 19.7-159.0 -71.8 127.7 49.1 9.6 65.7 402 189 B R E -K 393 0A 122 -9,-4.0 -9,-1.3 -2,-0.3 2,-0.6 -0.939 12.3-137.2-111.2 125.2 52.3 9.6 63.7 403 190 B D E -K 392 0A 84 -2,-0.5 -11,-0.2 -11,-0.2 -9,-0.0 -0.710 9.3-164.7 -83.5 120.5 52.6 12.1 60.8 404 191 B L - 0 0 13 -13,-2.3 -1,-0.1 -2,-0.6 -12,-0.1 0.266 34.3-133.3 -86.3 11.8 54.2 10.4 57.7 405 192 B D + 0 0 51 -14,-0.2 -13,-0.1 1,-0.1 -15,-0.1 0.844 66.0 128.9 29.4 74.0 54.7 14.0 56.3 406 193 B V + 0 0 5 -15,-0.2 -1,-0.1 -17,-0.1 2,-0.1 -0.113 34.8 161.6-132.0 24.8 53.4 13.6 52.8 407 194 B T - 0 0 37 -16,-0.1 2,-0.4 10,-0.1 -17,-0.2 -0.310 17.9-168.7 -57.2 122.3 51.3 16.7 53.3 408 195 B A B +J 389 0A 0 -19,-2.0 -19,-2.4 -2,-0.1 3,-0.1 -0.935 26.3 168.2-119.9 140.4 50.1 18.2 50.0 409 196 B T S S+ 0 0 64 -2,-0.4 -22,-0.4 1,-0.3 2,-0.3 0.333 73.9 1.3-126.1 -2.3 48.5 21.6 49.4 410 197 B N S > S- 0 0 42 -24,-0.1 4,-1.5 -28,-0.0 -1,-0.3 -0.963 88.1 -78.7-169.3 178.7 48.8 21.7 45.6 411 198 B R H > S+ 0 0 94 -2,-0.3 4,-0.7 2,-0.2 -33,-0.0 0.666 124.3 47.4 -66.5 -17.4 50.1 19.9 42.5 412 199 B E H >> S+ 0 0 107 2,-0.2 4,-1.9 3,-0.1 3,-0.6 0.942 111.3 42.8 -87.7 -64.2 53.6 20.9 43.3 413 200 B T H 3> S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.787 109.7 64.8 -53.4 -28.0 54.1 20.2 47.0 414 201 B L H 3X S+ 0 0 4 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.944 104.9 40.7 -61.1 -51.3 52.3 16.9 46.3 415 202 B E H X S+ 0 0 71 -4,-2.4 4,-2.7 1,-0.3 3,-0.8 0.900 108.6 42.3 -43.4 -53.5 63.4 9.4 54.1 425 212 B L H 3< S+ 0 0 48 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.856 112.7 55.7 -63.6 -34.8 62.4 5.8 54.8 426 213 B K H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.676 119.6 30.5 -71.9 -19.6 64.8 4.7 52.1 427 214 B L H << 0 0 144 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.601 360.0 360.0-111.6 -21.2 67.7 6.5 53.8 428 215 B K < 0 0 211 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.762 360.0 360.0-116.0 360.0 66.6 6.2 57.4