==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-11 3QUB . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR Y.PATSKOVSKY,H.HUANG,R.TORO,J.A.GERLT,S.K.BURLEY,D.DUNAWAY-M . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 1 0.4 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 . 6 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.7 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 0 0 1 2 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 1 A M >> 0 0 156 0, 0.0 3,-0.6 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 125.2 14.6 19.7 34.5 2 2 A R T 34 + 0 0 37 1,-0.2 3,-0.4 2,-0.2 220,-0.0 0.772 360.0 60.3 -61.1 -30.0 12.4 21.2 31.7 3 3 A K T 34 S+ 0 0 161 1,-0.2 -1,-0.2 220,-0.1 163,-0.0 0.719 98.5 55.3 -76.5 -24.4 11.6 24.0 34.1 4 4 A K T <4 S+ 0 0 73 -3,-0.6 -1,-0.2 161,-0.1 -2,-0.2 0.682 83.6 116.8 -79.5 -20.2 15.3 25.1 34.4 5 5 A L < + 0 0 29 -4,-0.6 162,-0.2 -3,-0.4 161,-0.1 -0.231 24.3 157.1 -59.1 132.6 15.6 25.5 30.6 6 6 A K + 0 0 108 160,-3.1 102,-2.6 1,-0.3 2,-0.3 0.550 62.0 26.3-123.5 -24.9 16.3 28.9 29.2 7 7 A A E -ab 108 167A 0 159,-1.7 161,-1.3 100,-0.3 2,-0.5 -0.994 53.8-145.7-150.5 146.5 17.9 28.3 25.8 8 8 A V E -ab 109 168A 0 100,-2.4 102,-2.3 -2,-0.3 2,-0.8 -0.980 19.1-152.5-116.8 124.1 18.2 25.7 22.9 9 9 A L E -ab 110 169A 0 159,-3.7 161,-2.6 -2,-0.5 2,-0.4 -0.843 15.2-164.2-105.1 103.3 21.5 25.5 21.2 10 10 A F E -ab 111 170A 0 100,-2.9 102,-2.7 -2,-0.8 161,-0.1 -0.725 15.4-142.0 -92.1 132.8 21.2 24.4 17.6 11 11 A D - 0 0 4 159,-2.2 102,-0.2 -2,-0.4 5,-0.2 -0.431 17.9-146.9 -66.5 160.3 24.0 23.1 15.3 12 12 A M S >>>S+ 0 0 0 100,-0.3 4,-2.4 3,-0.2 5,-1.9 0.888 70.6 70.5 -97.8 -59.5 23.5 24.4 11.8 13 13 A D B 345S+f 17 0B 18 1,-0.3 159,-0.2 2,-0.2 5,-0.2 -0.460 119.9 1.1 -72.9 117.6 24.7 21.8 9.2 14 14 A G T 345S+ 0 0 0 3,-2.7 -1,-0.3 -2,-0.4 178,-0.2 0.518 134.8 57.9 83.5 5.2 22.3 18.9 9.1 15 15 A V T <45S+ 0 0 0 -3,-1.9 -2,-0.2 2,-0.4 -3,-0.2 0.575 122.1 12.0-127.6 -59.3 20.1 20.4 11.7 16 16 A L T <5S+ 0 0 0 -4,-2.4 76,-2.3 1,-0.2 2,-0.4 0.872 134.3 32.4 -88.2 -45.6 18.9 23.8 10.4 17 17 A F B + 0 0 0 -2,-1.7 4,-2.5 70,-0.1 -1,-0.2 0.473 32.6 95.2-118.7 -8.3 23.8 20.9 3.7 20 20 A M H > S+ 0 0 14 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.873 85.4 51.1 -62.8 -43.0 25.7 17.7 4.7 21 21 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.910 113.0 48.3 -56.9 -39.0 25.6 16.1 1.2 22 22 A Y H > S+ 0 0 64 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.898 111.2 49.5 -67.2 -41.2 27.0 19.3 -0.1 23 23 A H H X S+ 0 0 14 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.920 113.8 44.8 -62.4 -45.0 29.8 19.4 2.6 24 24 A S H X S+ 0 0 9 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.900 115.2 48.5 -69.4 -39.8 30.8 15.8 1.9 25 25 A E H X S+ 0 0 51 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.943 114.7 45.2 -60.1 -50.2 30.7 16.4 -1.9 26 26 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.859 113.8 48.4 -64.0 -40.3 32.8 19.6 -1.6 27 27 A W H X S+ 0 0 16 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.939 112.2 49.8 -65.8 -47.3 35.3 18.1 0.8 28 28 A H H X S+ 0 0 24 -4,-2.3 4,-2.5 -5,-0.2 10,-0.4 0.926 115.6 42.8 -52.0 -50.6 35.7 15.0 -1.4 29 29 A Q H X S+ 0 0 47 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.896 112.8 49.4 -69.9 -45.5 36.3 17.1 -4.5 30 30 A V H X S+ 0 0 9 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.887 114.5 47.1 -63.4 -37.6 38.6 19.7 -3.1 31 31 A M H X>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 4,-1.7 0.954 110.8 51.5 -68.8 -48.8 40.8 17.0 -1.6 32 32 A K H <5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.6 48.0 -46.8 -47.2 40.8 15.0 -4.9 33 33 A T H <5S+ 0 0 122 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 111.6 49.6 -71.6 -28.7 41.9 18.1 -6.8 34 34 A H H <5S- 0 0 88 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.731 125.6-100.0 -79.6 -22.6 44.6 18.9 -4.2 35 35 A G T <5S+ 0 0 61 -4,-1.7 2,-0.3 1,-0.4 -3,-0.2 0.522 82.9 118.9 114.5 12.0 45.9 15.3 -4.4 36 36 A L < - 0 0 8 -5,-3.0 2,-0.9 -6,-0.2 -1,-0.4 -0.855 59.8-128.6-115.3 146.1 44.4 13.7 -1.3 37 37 A D + 0 0 122 -2,-0.3 2,-0.5 21,-0.1 -9,-0.1 -0.802 39.3 154.7 -97.8 102.2 41.9 10.8 -1.0 38 38 A L - 0 0 5 -2,-0.9 -6,-0.2 -10,-0.4 -7,-0.1 -0.964 30.2-147.4-126.6 111.9 38.9 11.7 1.1 39 39 A S > - 0 0 35 -2,-0.5 4,-2.0 1,-0.1 5,-0.1 -0.336 25.2-114.3 -73.1 159.5 35.8 9.7 0.4 40 40 A R H > S+ 0 0 93 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.840 120.7 50.7 -60.0 -34.4 32.3 11.2 0.8 41 41 A E H 4 S+ 0 0 140 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.846 109.8 49.1 -70.9 -38.5 31.7 8.8 3.6 42 42 A E H >4 S+ 0 0 81 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.811 104.2 59.8 -70.3 -34.1 35.0 9.8 5.3 43 43 A A H >< S+ 0 0 5 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.846 98.2 59.6 -63.5 -37.3 34.1 13.5 5.0 44 44 A Y G >< S+ 0 0 40 -4,-1.1 3,-1.0 1,-0.2 -1,-0.3 0.658 94.2 64.8 -61.2 -22.0 30.9 12.8 7.1 45 45 A M G < S+ 0 0 96 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.661 97.9 55.2 -77.3 -15.4 33.2 11.6 9.9 46 46 A H G X S+ 0 0 9 -3,-1.3 3,-1.6 -4,-0.4 -1,-0.2 0.223 78.3 140.7 -98.1 12.8 34.5 15.1 10.1 47 47 A A T < + 0 0 9 -3,-1.0 128,-0.5 1,-0.2 129,-0.2 -0.324 65.8 24.6 -53.7 129.5 31.0 16.5 10.6 48 48 A G T 3 S+ 0 0 19 1,-0.3 99,-0.5 127,-0.1 -1,-0.2 -0.014 94.9 114.1 105.7 -27.0 31.1 19.4 13.2 49 49 A R S < S- 0 0 39 -3,-1.6 -1,-0.3 1,-0.1 65,-0.1 -0.281 70.6-104.3 -78.2 161.6 34.7 20.4 12.8 50 50 A T > - 0 0 16 95,-0.4 4,-2.7 97,-0.3 5,-0.2 -0.350 33.8-109.2 -71.2 162.5 35.9 23.7 11.5 51 51 A G H > S+ 0 0 10 63,-0.4 4,-2.7 2,-0.2 5,-0.2 0.927 120.3 50.8 -57.8 -48.1 37.4 23.8 8.0 52 52 A A H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 112.0 46.6 -59.7 -41.5 40.9 24.3 9.4 53 53 A S H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 112.4 50.1 -68.3 -44.8 40.5 21.4 11.8 54 54 A T H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.943 111.9 47.9 -55.1 -50.2 39.1 19.1 9.0 55 55 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.930 112.6 47.9 -60.0 -48.4 42.0 20.0 6.6 56 56 A N H X S+ 0 0 33 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 112.9 47.8 -63.1 -43.4 44.7 19.4 9.2 57 57 A I H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.882 110.7 51.4 -63.8 -40.0 43.3 16.1 10.3 58 58 A V H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.4 0.931 110.7 49.6 -63.8 -43.3 42.9 14.9 6.6 59 59 A F H X>S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.2 6,-1.0 0.909 111.0 49.6 -59.0 -44.4 46.6 15.8 6.0 60 60 A Q H X5S+ 0 0 86 -4,-2.2 4,-0.9 4,-0.2 -2,-0.2 0.921 114.4 44.1 -63.7 -44.0 47.6 13.9 9.2 61 61 A R H <5S+ 0 0 165 -4,-2.5 -2,-0.2 2,-0.1 -1,-0.2 0.885 125.6 29.9 -67.3 -41.1 45.7 10.7 8.2 62 62 A E H <5S+ 0 0 82 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.898 135.7 21.2 -89.6 -44.3 46.7 10.7 4.5 63 63 A L H <5S- 0 0 93 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.540 94.4-123.0-105.3 -11.5 50.2 12.3 4.4 64 64 A G S < - 0 0 66 -2,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.398 23.6-107.7 -78.2 166.3 50.5 24.5 6.5 69 69 A Q H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.850 121.9 52.4 -62.5 -34.8 48.6 27.7 7.1 70 70 A E H > S+ 0 0 134 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.940 108.5 48.7 -66.4 -48.9 48.8 28.3 3.3 71 71 A E H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.881 111.8 51.1 -58.3 -39.9 47.4 24.9 2.4 72 72 A I H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.953 113.9 41.9 -63.0 -52.1 44.5 25.5 4.9 73 73 A E H X S+ 0 0 125 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.902 117.6 47.1 -63.3 -41.9 43.6 28.9 3.6 74 74 A S H X S+ 0 0 71 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.941 116.3 42.6 -66.8 -48.6 43.9 27.8 -0.1 75 75 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.872 114.3 51.6 -64.5 -38.5 41.9 24.5 0.3 76 76 A Y H X S+ 0 0 58 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.907 107.8 52.2 -69.3 -40.0 39.3 26.2 2.5 77 77 A H H X S+ 0 0 111 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.908 112.9 45.3 -55.8 -44.0 38.8 28.9 -0.2 78 78 A E H X S+ 0 0 91 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.885 109.4 54.0 -71.8 -38.1 38.3 26.2 -2.8 79 79 A K H X S+ 0 0 7 -4,-2.7 4,-3.0 1,-0.2 -1,-0.2 0.911 109.1 50.8 -58.1 -42.5 36.0 24.2 -0.7 80 80 A S H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.859 108.9 49.6 -65.1 -41.0 33.8 27.3 -0.2 81 81 A I H X S+ 0 0 90 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.954 114.5 45.6 -61.1 -51.0 33.7 28.0 -4.0 82 82 A L H >< S+ 0 0 42 -4,-2.5 3,-1.5 1,-0.2 4,-0.4 0.938 112.4 50.2 -57.3 -50.8 32.6 24.4 -4.6 83 83 A F H >< S+ 0 0 7 -4,-3.0 3,-1.1 1,-0.3 -1,-0.2 0.904 112.5 47.5 -53.5 -44.6 30.1 24.4 -1.8 84 84 A N H 3< S+ 0 0 78 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.466 97.1 72.2 -81.1 -0.9 28.5 27.7 -3.1 85 85 A S T << S+ 0 0 82 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.545 84.3 81.8 -87.9 -12.2 28.4 26.4 -6.7 86 86 A Y S < S- 0 0 52 -3,-1.1 3,-0.1 -4,-0.4 -64,-0.0 -0.642 104.9 -81.8 -89.0 151.1 25.5 24.0 -5.8 87 87 A P S S- 0 0 103 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.332 71.9 -81.8 -50.4 132.8 21.9 25.3 -5.7 88 88 A E - 0 0 129 -4,-0.1 -4,-0.1 1,-0.1 -5,-0.0 0.049 51.5 -99.7 -55.1 140.0 21.6 26.9 -2.2 89 89 A A - 0 0 3 -3,-0.1 2,-0.2 1,-0.1 -70,-0.1 -0.264 39.4-139.4 -59.1 138.7 21.0 24.5 0.7 90 90 A E - 0 0 149 -72,-0.4 -72,-3.3 1,-0.1 -1,-0.1 -0.554 27.1 -80.8-100.3 165.9 17.4 24.3 1.8 91 91 A R B -G 17 0B 124 -74,-0.2 -74,-0.3 -2,-0.2 -1,-0.1 -0.331 44.0-111.8 -62.1 143.0 15.9 24.1 5.4 92 92 A M > - 0 0 21 -76,-2.3 3,-1.9 -77,-0.1 4,-0.5 -0.642 43.6-103.7 -69.3 130.4 15.7 20.8 7.1 93 93 A P T 3 S+ 0 0 92 0, 0.0 120,-0.4 0, 0.0 119,-0.3 -0.396 107.2 22.4 -60.3 130.8 12.1 19.7 7.4 94 94 A G T 3> S+ 0 0 9 118,-0.1 4,-2.5 119,-0.1 5,-0.2 0.094 93.8 101.3 98.5 -22.0 10.8 20.4 10.9 95 95 A A H <> S+ 0 0 0 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.943 85.8 42.4 -62.1 -50.7 13.5 22.9 11.9 96 96 A W H > S+ 0 0 87 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.901 114.0 51.9 -62.7 -42.5 11.2 26.0 11.4 97 97 A E H > S+ 0 0 82 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.924 112.4 46.7 -60.7 -43.9 8.3 24.2 13.2 98 98 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.891 108.5 53.7 -61.9 -46.0 10.6 23.4 16.1 99 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.890 107.1 53.2 -58.2 -40.2 12.0 26.9 16.4 100 100 A Q H X S+ 0 0 86 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.882 111.2 45.4 -59.3 -42.8 8.5 28.2 16.6 101 101 A K H X S+ 0 0 51 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.931 111.9 52.4 -63.7 -49.6 7.7 25.8 19.5 102 102 A V H <>S+ 0 0 0 -4,-2.9 5,-2.0 1,-0.2 3,-0.4 0.892 112.5 44.3 -52.8 -46.9 10.9 26.7 21.2 103 103 A K H ><5S+ 0 0 102 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.829 109.4 55.0 -71.8 -35.6 10.2 30.5 21.0 104 104 A S H 3<5S+ 0 0 115 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.657 103.3 57.8 -70.9 -17.2 6.5 30.1 22.1 105 105 A E T 3<5S- 0 0 68 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.445 121.4-112.8 -87.5 -4.5 7.9 28.3 25.2 106 106 A G T < 5S+ 0 0 65 -3,-1.3 2,-0.2 1,-0.3 -3,-0.2 0.686 70.1 140.6 78.9 19.8 9.9 31.4 26.0 107 107 A L < - 0 0 12 -5,-2.0 -100,-0.3 -100,-0.0 -1,-0.3 -0.632 53.9-114.5 -91.9 154.8 13.3 29.8 25.3 108 108 A T E -a 7 0A 57 -102,-2.6 -100,-2.4 -2,-0.2 2,-0.3 -0.789 22.5-139.9 -92.8 116.2 16.3 31.5 23.6 109 109 A P E +a 8 0A 8 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.563 27.1 177.5 -68.6 135.5 17.4 30.0 20.2 110 110 A M E -a 9 0A 0 -102,-2.3 -100,-2.9 -2,-0.3 2,-0.4 -0.944 22.3-140.1-132.9 159.0 21.2 29.9 19.7 111 111 A V E -ac 10 137A 0 25,-1.1 27,-2.8 -2,-0.3 2,-0.5 -0.988 15.0-178.3-117.8 129.8 23.4 28.6 16.9 112 112 A V E + c 0 138A 0 -102,-2.7 2,-0.3 -2,-0.4 -100,-0.3 -0.952 24.4 152.1-126.7 110.5 26.6 26.8 17.8 113 113 A T - 0 0 2 25,-2.8 -63,-0.1 -2,-0.5 -64,-0.1 -0.978 52.3-143.6-141.4 146.5 28.5 25.9 14.6 114 114 A G + 0 0 7 -2,-0.3 -63,-0.4 -66,-0.2 25,-0.1 0.454 67.2 125.8 -80.8 -1.4 32.0 25.2 13.3 115 115 A S + 0 0 10 -65,-0.1 25,-2.1 1,-0.1 26,-0.4 -0.270 38.0 176.3 -66.8 139.2 30.9 26.9 10.0 116 116 A G + 0 0 14 23,-0.2 2,-1.1 24,-0.2 -1,-0.1 0.089 44.0 126.8-115.0 14.3 32.7 29.8 8.3 117 117 A Q > - 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0 0 4 -5,-2.2 2,-0.3 -19,-0.1 -1,-0.3 -0.752 63.4-106.0-102.8 140.1 25.0 20.1 28.6 186 186 A F E -d 168 0A 78 -19,-0.6 -17,-2.4 -22,-0.5 2,-0.5 -0.490 45.5-155.4 -55.5 120.8 22.0 17.8 28.0 187 187 A T E -d 169 0A 0 17,-0.3 19,-2.5 -2,-0.3 20,-1.3 -0.917 15.7-161.7-117.1 123.7 22.4 16.8 24.3 188 188 A I E -de 170 207A 3 -19,-3.6 -17,-2.7 -2,-0.5 2,-0.4 -0.911 14.6-151.6 -99.1 122.5 19.8 15.7 21.9 189 189 A A E -de 171 208A 0 18,-3.0 20,-2.3 -2,-0.6 2,-0.5 -0.808 6.8-164.6 -93.5 134.2 21.1 13.8 18.8 190 190 A V E - e 0 209A 0 -19,-3.1 2,-1.6 -2,-0.4 3,-0.2 -0.980 13.8-145.5-116.5 120.3 19.2 14.0 15.5 191 191 A N + 0 0 31 18,-3.1 -19,-0.1 -2,-0.5 6,-0.1 -0.505 44.3 143.1 -91.0 73.2 20.3 11.3 13.0 192 192 A T + 0 0 45 -2,-1.6 -1,-0.2 -178,-0.2 -178,-0.1 0.597 53.5 77.5 -86.6 -13.7 19.9 13.1 9.7 193 193 A G S S- 0 0 23 -21,-0.3 -20,-0.0 -3,-0.2 -179,-0.0 -0.204 94.7-100.4 -87.4-177.1 23.1 11.6 8.1 194 194 A P S S+ 0 0 103 0, 0.0 -1,-0.0 0, 0.0 -3,-0.0 0.598 85.2 98.9 -81.9 -11.8 23.6 8.1 6.7 195 195 A L S S- 0 0 46 1,-0.1 2,-0.2 -151,-0.1 -2,-0.1 -0.115 81.5 -76.5 -85.0 172.7 25.3 6.5 9.7 196 196 A D > - 0 0 118 1,-0.1 3,-1.4 2,-0.0 4,-0.4 -0.429 31.4-134.6 -71.3 133.3 24.3 4.2 12.6 197 197 A G T >> S+ 0 0 11 1,-0.3 4,-1.2 -2,-0.2 3,-0.7 0.678 97.0 72.0 -59.1 -23.6 22.4 5.8 15.5 198 198 A Q H 3> S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.767 86.5 63.5 -65.4 -28.2 24.5 4.1 18.2 199 199 A V H <> S+ 0 0 50 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.787 100.7 52.3 -71.2 -25.7 27.6 6.3 17.4 200 200 A L H <>>S+ 0 0 0 -3,-0.7 5,-1.6 -4,-0.4 4,-0.6 0.896 110.4 47.2 -75.1 -42.2 25.7 9.4 18.6 201 201 A L H ><5S+ 0 0 68 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.921 109.0 54.6 -62.4 -44.1 24.8 7.7 21.9 202 202 A D H 3<5S+ 0 0 119 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.5 58.2 -57.4 -30.8 28.4 6.5 22.4 203 203 A A H 3<5S- 0 0 17 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.656 132.3 -85.0 -77.6 -18.9 29.4 10.2 22.0 204 204 A G T <<5 + 0 0 13 -3,-1.2 -17,-0.3 -4,-0.6 -3,-0.2 0.509 69.9 157.1 131.3 9.7 27.3 11.4 24.9 205 205 A A < - 0 0 11 -5,-1.6 -1,-0.2 1,-0.1 -17,-0.2 -0.441 27.7-163.1 -71.9 134.8 23.8 12.0 23.6 206 206 A D S S+ 0 0 78 -19,-2.5 2,-0.3 1,-0.2 -18,-0.2 0.700 78.5 23.9 -88.3 -25.5 21.0 11.8 26.2 207 207 A L E -e 188 0A 52 -20,-1.3 -18,-3.0 2,-0.0 2,-0.4 -0.982 67.6-154.5-139.2 151.4 18.3 11.4 23.5 208 208 A L E +e 189 0A 68 -2,-0.3 -18,-0.2 -20,-0.2 -20,-0.0 -0.996 12.0 177.1-131.5 129.5 18.2 10.1 19.9 209 209 A F E -e 190 0A 19 -20,-2.3 -18,-3.1 -2,-0.4 3,-0.1 -0.953 29.1-138.5-127.1 147.1 15.8 11.0 17.2 210 210 A P S S+ 0 0 91 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 0.693 83.6 3.8 -76.8 -19.8 15.7 9.9 13.5 211 211 A S S > S- 0 0 40 1,-0.1 4,-1.5 -19,-0.0 -20,-0.1 -0.953 71.0-107.6-156.6 167.9 14.8 13.3 12.1 212 212 A M H > S+ 0 0 1 -2,-0.3 4,-2.4 -119,-0.3 -118,-0.1 0.836 117.5 55.2 -70.1 -35.5 14.2 17.0 12.9 213 213 A Q H > S+ 0 0 63 -120,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.889 107.3 48.0 -65.0 -41.8 10.5 16.5 12.3 214 214 A T H > S+ 0 0 46 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 112.0 49.9 -72.4 -31.8 10.2 13.6 14.8 215 215 A L H < S+ 0 0 0 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.917 112.2 48.9 -63.6 -44.2 12.1 15.7 17.4 216 216 A C H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 4,-0.3 0.897 111.1 49.4 -59.8 -41.5 9.7 18.5 16.7 217 217 A D H 3< S+ 0 0 89 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.832 116.1 42.3 -68.8 -32.1 6.7 16.1 17.1 218 218 A S T >< S+ 0 0 39 -4,-1.7 3,-0.9 1,-0.2 4,-0.3 0.295 85.3 103.2 -94.5 5.7 8.0 14.8 20.4 219 219 A W G X S+ 0 0 5 -3,-0.9 3,-0.8 -4,-0.3 -1,-0.2 0.857 81.3 45.2 -64.7 -39.3 9.1 18.2 21.8 220 220 A D G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.617 112.1 54.5 -78.8 -12.5 6.2 18.7 24.2 221 221 A T G < S+ 0 0 105 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.2 0.263 95.6 77.1-108.0 8.8 6.5 15.1 25.5 222 222 A I < 0 0 28 -3,-0.8 -220,-0.0 -4,-0.3 0, 0.0 -0.788 360.0 360.0-117.3 164.6 10.2 15.0 26.5 223 223 A M 0 0 152 -2,-0.3 -221,-0.1 -222,-0.0 -220,-0.1 -0.548 360.0 360.0-150.1 360.0 12.0 16.5 29.6