==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (ISOMERASE/PEPTIDE) 24-NOV-95 2CSM . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.STRAETER,K.HAKANSSON,W.N.LIPSCOMB . 246 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 0 0 1 0 1 1 2 0 1 1 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 72 0, 0.0 2,-0.4 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 137.7 75.6 59.8 15.0 2 2 A D > - 0 0 71 3,-0.5 3,-2.0 4,-0.0 6,-0.3 -0.984 360.0-144.3-145.2 123.4 73.0 62.3 13.9 3 3 A F T 3 S+ 0 0 20 -2,-0.4 100,-0.0 1,-0.3 6,-0.0 0.243 101.1 63.7 -72.2 12.2 69.7 62.9 15.6 4 4 A T T 3 S+ 0 0 51 1,-0.2 -1,-0.3 96,-0.2 98,-0.1 0.250 98.9 61.8-112.5 3.4 68.0 63.5 12.3 5 5 A K X> - 0 0 107 -3,-2.0 4,-0.8 1,-0.1 3,-0.5 -0.908 65.1-167.1-135.5 102.7 68.8 60.0 11.3 6 6 A P H >> S+ 0 0 45 0, 0.0 4,-3.0 0, 0.0 3,-1.1 0.905 89.3 56.3 -53.1 -47.6 67.2 57.2 13.4 7 7 A E H 34 S+ 0 0 155 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.833 107.1 49.3 -58.1 -34.1 69.4 54.5 12.0 8 8 A T H <4 S+ 0 0 32 -3,-0.5 -1,-0.3 -6,-0.3 -5,-0.1 0.630 114.6 45.1 -80.8 -16.7 72.5 56.4 13.0 9 9 A V H << S+ 0 0 1 -3,-1.1 6,-0.2 -4,-0.8 -2,-0.2 0.870 110.3 51.0 -89.8 -47.5 71.2 56.9 16.5 10 10 A L S < S+ 0 0 38 -4,-3.0 2,-0.4 -5,-0.1 -2,-0.2 0.580 84.7 116.0 -66.9 -8.9 69.9 53.4 17.1 11 11 A N > - 0 0 72 -4,-0.4 4,-2.2 -5,-0.3 5,-0.2 -0.499 60.9-147.9 -67.9 119.6 73.4 52.1 16.0 12 12 A L H > S+ 0 0 56 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.887 93.7 48.1 -56.8 -47.8 75.0 50.3 18.9 13 13 A Q H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 110.7 54.5 -64.6 -33.8 78.7 51.1 18.1 14 14 A N H > S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.966 110.6 42.8 -64.1 -49.2 77.8 54.8 17.6 15 15 A I H X S+ 0 0 6 -4,-2.2 4,-2.9 -6,-0.2 5,-0.3 0.926 109.7 60.1 -62.1 -38.0 76.1 55.1 21.0 16 16 A R H X S+ 0 0 121 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.913 110.4 41.5 -52.8 -43.7 79.1 53.2 22.4 17 17 A D H X S+ 0 0 76 -4,-2.1 4,-1.3 -3,-0.2 -1,-0.3 0.873 110.4 56.5 -72.7 -42.5 81.3 55.9 21.1 18 18 A E H >X S+ 0 0 36 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.919 105.5 51.2 -57.1 -46.3 79.0 58.8 22.2 19 19 A L H 3X S+ 0 0 25 -4,-2.9 4,-2.9 1,-0.3 5,-0.4 0.924 103.2 58.4 -57.6 -46.2 79.0 57.6 25.8 20 20 A V H 3X S+ 0 0 49 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.3 0.841 111.7 43.6 -52.7 -33.6 82.8 57.5 25.8 21 21 A R H X S+ 0 0 29 -4,-1.1 4,-3.1 2,-0.2 3,-1.0 0.968 97.8 54.1 -58.1 -61.8 83.3 64.8 30.4 26 26 A I H 3X S+ 0 0 0 -4,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.876 110.4 51.3 -42.7 -41.2 81.5 64.2 33.7 27 27 A I H 3X S+ 0 0 2 -4,-1.2 4,-2.1 1,-0.2 -1,-0.3 0.862 110.5 46.4 -66.8 -37.9 85.0 63.2 35.0 28 28 A F H < S+ 0 0 56 -4,-1.3 3,-1.5 1,-0.2 -2,-0.2 0.982 110.6 45.4 -67.4 -56.2 87.3 71.1 37.8 33 33 A R H >< S+ 0 0 0 -4,-2.1 3,-2.1 1,-0.3 98,-0.3 0.779 96.8 77.3 -58.6 -26.6 84.9 71.5 40.6 34 34 A S T 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.383 82.1 68.0 -68.6 5.1 87.3 69.7 43.0 35 35 A H T < S+ 0 0 79 -3,-1.5 -1,-0.3 2,-0.1 2,-0.3 0.393 93.1 70.3-101.5 -1.5 89.5 72.9 43.2 36 36 A F S < S- 0 0 32 -3,-2.1 95,-2.6 93,-0.1 96,-0.5 -0.756 83.7-110.7-115.6 160.2 86.8 74.9 45.1 37 37 A A - 0 0 1 -2,-0.3 96,-0.2 93,-0.2 99,-0.1 -0.240 44.3 -93.2 -76.7 176.7 85.5 74.6 48.6 38 38 A T - 0 0 21 94,-1.9 97,-0.2 92,-0.1 95,-0.1 0.762 42.6-163.0 -64.1 -32.5 81.9 73.4 49.3 39 39 A C > - 0 0 0 95,-2.2 3,-2.7 1,-0.1 4,-0.4 0.858 7.1-173.9 47.3 56.4 80.3 76.9 49.3 40 40 A P G >> S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-2.1 0.801 77.9 65.9 -48.3 -36.9 77.0 75.9 51.1 41 41 A S G 34 S+ 0 0 19 1,-0.3 18,-0.5 2,-0.2 6,-0.1 0.807 89.3 66.6 -57.8 -29.1 75.6 79.4 50.6 42 42 A V G <4 S+ 0 0 1 -3,-2.7 18,-2.3 1,-0.2 -1,-0.3 0.721 114.5 29.3 -66.1 -17.4 75.6 78.7 46.8 43 43 A Y T <4 S+ 0 0 30 -3,-2.1 15,-0.3 -4,-0.4 -2,-0.2 0.689 87.3 114.4-113.5 -27.4 72.9 76.0 47.4 44 44 A E S >< S- 0 0 102 -4,-2.3 3,-1.0 1,-0.1 15,-0.3 -0.256 75.8-109.7 -52.0 121.5 71.1 77.3 50.5 45 45 A A T 3 S+ 0 0 67 1,-0.2 13,-0.1 13,-0.2 -1,-0.1 -0.222 96.5 27.2 -59.5 145.4 67.6 78.1 49.3 46 46 A N T 3 S- 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 12,-0.2 0.518 111.3-100.0 77.2 15.1 66.3 81.6 49.0 47 47 A H X - 0 0 14 -3,-1.0 3,-1.2 1,-0.2 2,-0.4 0.891 38.9-145.6 38.0 67.7 69.8 82.9 48.5 48 48 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.410 83.0 14.1 -61.9 109.9 70.7 84.2 52.0 49 49 A G T 3 S+ 0 0 80 -2,-0.4 2,-0.6 1,-0.2 -2,-0.1 -0.098 101.1 98.9 117.5 -34.3 72.9 87.3 51.4 50 50 A L < - 0 0 61 -3,-1.2 2,-2.1 1,-0.1 -1,-0.2 -0.790 69.0-140.6 -92.3 120.5 72.3 87.9 47.7 51 51 A E + 0 0 174 -2,-0.6 -1,-0.1 -3,-0.1 -4,-0.1 -0.276 35.8 166.9 -77.5 55.3 69.7 90.7 47.2 52 52 A I > - 0 0 27 -2,-2.1 3,-1.0 -5,-0.3 2,-0.1 -0.619 46.2-107.0 -78.8 114.4 68.0 89.0 44.2 53 53 A P T 3 S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.135 83.3 -37.1 -45.8 103.1 64.7 90.8 43.5 54 54 A N T 3 S+ 0 0 164 1,-0.2 -2,-0.1 -2,-0.1 2,-0.1 0.456 96.8 146.1 55.4 3.4 61.9 88.4 44.6 55 55 A F < - 0 0 56 -3,-1.0 2,-0.4 -8,-0.1 -1,-0.2 -0.419 30.8-165.2 -66.5 148.0 63.8 85.4 43.5 56 56 A K + 0 0 161 -3,-0.1 2,-0.2 2,-0.1 -11,-0.1 -0.994 49.4 59.4-135.9 128.6 63.2 82.4 45.7 57 57 A G S S- 0 0 11 -2,-0.4 5,-0.1 -13,-0.1 -13,-0.1 -0.471 91.5 -53.2 127.8 158.3 65.6 79.5 45.4 58 58 A S > - 0 0 6 -15,-0.3 4,-1.5 -12,-0.2 -15,-0.2 0.106 50.0-107.4 -56.2 173.3 69.4 79.1 45.8 59 59 A F H > S+ 0 0 40 -18,-0.5 4,-2.3 -15,-0.3 5,-0.2 0.877 122.2 58.0 -69.9 -38.8 72.0 81.2 44.1 60 60 A L H > S+ 0 0 0 -18,-2.3 4,-3.0 1,-0.2 5,-0.3 0.946 103.4 52.9 -54.3 -49.2 72.8 78.2 42.0 61 61 A D H > S+ 0 0 29 -19,-0.2 4,-2.3 1,-0.2 5,-0.3 0.886 108.3 49.1 -54.2 -46.4 69.1 78.2 40.8 62 62 A W H X S+ 0 0 92 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.951 115.6 43.9 -58.8 -50.8 69.3 81.8 39.7 63 63 A A H X S+ 0 0 13 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.918 114.5 47.1 -58.9 -53.6 72.5 81.3 37.8 64 64 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -1,-0.2 0.920 115.9 45.0 -57.7 -48.3 71.6 78.0 36.1 65 65 A S H X S+ 0 0 6 -4,-2.3 4,-1.8 -5,-0.3 3,-0.5 0.953 113.1 51.6 -60.6 -50.1 68.1 79.3 35.0 66 66 A N H X S+ 0 0 77 -4,-2.6 4,-1.4 -5,-0.3 -2,-0.2 0.899 113.8 43.4 -54.0 -45.0 69.7 82.6 33.9 67 67 A L H X S+ 0 0 63 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.692 109.3 56.8 -77.7 -21.9 72.3 80.7 31.7 68 68 A E H X S+ 0 0 4 -4,-1.6 4,-0.9 -3,-0.5 -1,-0.2 0.789 105.4 52.2 -75.8 -31.9 69.7 78.2 30.3 69 69 A I H X S+ 0 0 36 -4,-1.8 4,-0.9 2,-0.2 3,-0.4 0.912 110.8 47.2 -68.4 -44.0 67.7 81.1 29.0 70 70 A A H < S+ 0 0 56 -4,-1.4 3,-0.5 1,-0.2 -2,-0.2 0.928 112.6 49.5 -63.2 -45.7 70.7 82.6 27.3 71 71 A H H ><>S+ 0 0 49 -4,-1.8 5,-1.0 1,-0.2 3,-0.7 0.664 100.5 66.9 -69.3 -17.7 71.7 79.2 25.8 72 72 A S H ><5S+ 0 0 6 -4,-0.9 3,-1.3 -3,-0.4 5,-0.2 0.856 81.8 69.6 -74.9 -35.7 68.2 78.5 24.5 73 73 A R T 3<5S+ 0 0 97 -4,-0.9 21,-0.9 -3,-0.5 -1,-0.2 0.559 97.3 57.2 -59.7 -9.7 67.9 81.2 21.8 74 74 A I T < 5S- 0 0 72 -3,-0.7 -1,-0.3 -4,-0.2 -2,-0.1 -0.263 124.7-100.2-113.3 36.1 70.5 79.2 19.8 75 75 A R T X>5S+ 0 0 57 -3,-1.3 3,-2.1 173,-0.1 4,-0.6 0.405 77.2 139.9 61.7 7.5 68.4 76.0 19.7 76 76 A R G >4> + 0 0 35 -22,-0.1 3,-1.7 1,-0.1 4,-0.5 -0.481 64.6 165.7-141.2 68.3 64.0 75.1 34.1 87 87 A P G >4 S+ 0 0 72 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.818 72.5 67.3 -52.1 -37.8 61.7 74.4 31.1 88 88 A D G 34 S+ 0 0 156 1,-0.2 3,-0.0 -3,-0.1 -3,-0.0 0.285 108.3 36.2 -72.0 11.5 59.3 77.2 32.2 89 89 A K G <4 S+ 0 0 96 -3,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.399 81.7 114.9-141.8 -1.8 61.8 79.9 31.5 90 90 A I << - 0 0 52 -3,-0.9 -21,-0.1 -4,-0.5 -20,-0.1 -0.569 55.5-141.6 -78.6 133.0 63.7 78.8 28.4 91 91 A Q - 0 0 97 -22,-0.4 2,-0.2 -2,-0.3 -1,-0.1 -0.149 15.8-100.2 -83.8-178.1 63.2 81.1 25.4 92 92 A K - 0 0 183 -19,-0.1 2,-0.3 -18,-0.0 -1,-0.1 -0.577 34.6-111.9-101.1 166.9 62.8 80.4 21.7 93 93 A S - 0 0 19 -2,-0.2 -19,-0.2 2,-0.2 -20,-0.1 -0.755 2.2-144.5-103.2 151.9 65.4 80.8 19.0 94 94 A F S S+ 0 0 168 -21,-0.9 -20,-0.1 -2,-0.3 -1,-0.1 -0.003 81.9 90.0 -97.1 23.6 65.6 83.2 16.0 95 95 A L S S- 0 0 67 -22,-0.2 -2,-0.2 1,-0.1 -20,-0.1 -0.839 94.4 -81.7-116.6 154.8 67.1 80.3 14.1 96 96 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.268 46.7-111.1 -59.5 140.9 65.1 77.8 12.0 97 97 A S - 0 0 91 -4,-0.1 2,-0.4 1,-0.1 -3,-0.0 -0.516 29.8-132.0 -75.3 139.3 63.5 74.9 13.8 98 98 A I - 0 0 45 -2,-0.2 2,-1.0 -23,-0.1 -1,-0.1 -0.794 10.8-128.3 -96.8 132.5 65.0 71.5 13.1 99 99 A N - 0 0 137 -2,-0.4 -1,-0.0 -95,-0.0 -2,-0.0 -0.663 26.4-170.2 -81.8 101.6 62.8 68.5 12.2 100 100 A Y - 0 0 56 -2,-1.0 -96,-0.2 -22,-0.1 3,-0.1 -0.851 18.7-132.5 -97.7 112.6 63.9 65.7 14.5 101 101 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -96,-0.1 -0.253 31.2 -97.4 -59.2 145.5 62.3 62.3 13.5 102 102 A Q + 0 0 147 1,-0.2 3,-0.1 -98,-0.1 -98,-0.0 -0.489 53.5 155.6 -69.8 134.0 60.7 60.3 16.3 103 103 A I + 0 0 23 -2,-0.2 -1,-0.2 2,-0.1 2,-0.0 0.639 55.4 55.0-122.3 -51.7 63.0 57.7 17.7 104 104 A L S S- 0 0 23 1,-0.2 59,-0.1 2,-0.1 58,-0.0 -0.240 95.6 -82.2 -82.2 174.9 61.9 56.9 21.2 105 105 A A > - 0 0 12 1,-0.1 3,-1.4 -3,-0.1 -1,-0.2 -0.324 43.4-106.8 -73.4 159.4 58.4 55.9 22.5 106 106 A P T 3 S+ 0 0 109 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.900 116.5 57.3 -53.9 -49.6 55.8 58.6 23.1 107 107 A Y T >> S+ 0 0 26 1,-0.2 3,-3.0 137,-0.2 4,-0.6 0.645 75.6 110.7 -59.7 -13.7 55.9 58.5 26.9 108 108 A A G X4 + 0 0 10 -3,-1.4 3,-1.2 1,-0.3 -1,-0.2 0.714 69.0 55.7 -31.5 -48.6 59.6 59.3 26.7 109 109 A P G 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.730 96.2 66.4 -63.6 -23.2 59.3 62.9 28.1 110 110 A E G <4 S+ 0 0 126 -3,-3.0 2,-1.9 1,-0.2 -2,-0.2 0.815 83.8 79.2 -67.5 -27.7 57.6 61.5 31.2 111 111 A V << + 0 0 0 -3,-1.2 2,-0.4 -4,-0.6 -1,-0.2 -0.511 66.1 150.7 -82.2 76.1 60.9 59.8 32.1 112 112 A N + 0 0 81 -2,-1.9 4,-0.1 1,-0.1 3,-0.0 -0.917 24.0 171.7-114.4 136.8 62.6 62.8 33.5 113 113 A Y >> + 0 0 31 -2,-0.4 4,-2.0 2,-0.1 3,-1.8 0.448 41.2 115.8-119.7 -2.9 65.3 62.7 36.3 114 114 A N H 3> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.798 78.0 50.7 -37.7 -49.0 66.6 66.3 36.4 115 115 A D H 3> S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.836 111.5 48.2 -64.6 -31.0 65.5 67.0 40.0 116 116 A K H <> S+ 0 0 80 -3,-1.8 4,-2.2 2,-0.2 5,-0.3 0.949 108.6 55.2 -71.3 -48.0 67.1 63.7 41.3 117 117 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.920 109.7 44.4 -50.0 -53.3 70.3 64.5 39.5 118 118 A K H X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.841 110.2 57.2 -65.4 -29.4 70.8 67.9 41.1 119 119 A K H X S+ 0 0 127 -4,-1.2 4,-2.0 -5,-0.2 5,-0.4 0.901 111.9 39.3 -70.0 -38.5 69.8 66.5 44.5 120 120 A V H X>S+ 0 0 16 -4,-2.2 5,-2.5 3,-0.2 4,-1.3 0.807 114.1 56.9 -79.9 -28.5 72.5 63.9 44.5 121 121 A Y H <>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.3 -2,-0.2 0.972 115.8 34.4 -62.2 -54.5 75.0 66.3 43.0 122 122 A I H <5S+ 0 0 40 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.882 130.3 31.0 -69.9 -42.8 74.5 68.9 45.8 123 123 A E H <5S+ 0 0 122 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.889 133.8 21.5 -87.1 -41.7 74.0 66.5 48.7 124 124 A K T <5S+ 0 0 116 -4,-1.3 4,-0.5 -5,-0.4 -3,-0.2 0.857 126.1 39.0 -98.0 -39.6 76.1 63.5 47.8 125 125 A I T >> - 0 0 34 -2,-0.2 3,-2.9 1,-0.1 4,-0.4 -0.690 10.9-177.4-120.6 72.6 84.6 80.8 49.5 137 137 A K G > S+ 0 0 160 -2,-0.4 3,-0.5 1,-0.3 4,-0.2 0.674 75.3 62.1 -46.5 -25.4 82.8 84.1 48.9 138 138 A N G 3 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.503 111.4 39.4 -82.9 -2.0 85.4 85.3 46.4 139 139 A N G <> S+ 0 0 48 -3,-2.9 4,-3.0 2,-0.1 5,-0.4 0.300 71.6 115.7-128.1 9.1 84.5 82.4 44.1 140 140 A F H <> S+ 0 0 37 -3,-0.5 4,-1.8 -4,-0.4 -2,-0.1 0.821 85.8 47.4 -49.3 -33.9 80.7 82.0 44.3 141 141 A G H > S+ 0 0 44 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.878 114.4 43.7 -74.6 -43.5 80.6 83.0 40.6 142 142 A S H > S+ 0 0 55 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.962 116.8 47.0 -63.1 -54.7 83.3 80.6 39.5 143 143 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.897 110.3 53.6 -53.1 -48.1 82.0 77.7 41.6 144 144 A A H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.864 107.5 50.1 -59.1 -40.4 78.4 78.3 40.4 145 145 A T H X S+ 0 0 71 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.943 107.5 55.1 -64.8 -43.9 79.5 78.1 36.8 146 146 A R H X S+ 0 0 93 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.898 108.2 48.2 -53.8 -45.3 81.3 74.8 37.5 147 147 A D H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.948 107.5 55.1 -62.8 -48.6 78.1 73.3 39.0 148 148 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.894 112.2 44.3 -52.2 -41.4 76.0 74.4 36.0 149 149 A E H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.882 113.7 48.7 -73.7 -35.6 78.5 72.6 33.7 150 150 A C H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.815 113.1 49.2 -71.2 -30.6 78.6 69.5 36.0 151 151 A L H X S+ 0 0 0 -4,-3.2 4,-2.5 -5,-0.2 -2,-0.2 0.933 110.8 50.5 -72.1 -43.3 74.8 69.5 36.1 152 152 A Q H X S+ 0 0 21 -4,-2.3 4,-1.5 -5,-0.3 -2,-0.2 0.822 112.4 46.2 -62.9 -34.4 74.7 69.8 32.3 153 153 A S H X S+ 0 0 11 -4,-1.9 4,-1.6 2,-0.2 5,-0.2 0.882 111.7 50.4 -76.8 -40.0 77.1 66.9 31.8 154 154 A L H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.946 112.8 47.8 -62.4 -47.8 75.3 64.6 34.3 155 155 A S H X S+ 0 0 4 -4,-2.5 4,-3.2 1,-0.2 5,-0.4 0.970 109.4 48.1 -57.6 -64.5 71.9 65.2 32.6 156 156 A R H X S+ 0 0 66 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.845 117.4 45.0 -47.1 -40.0 72.8 64.7 29.0 157 157 A R H >< S+ 0 0 11 -4,-1.6 3,-0.8 2,-0.2 4,-0.2 0.983 115.4 44.7 -70.5 -55.3 74.6 61.5 29.8 158 158 A I H >< S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.899 114.9 47.2 -56.6 -46.1 71.9 60.1 32.2 159 159 A H H >< S+ 0 0 9 -4,-3.2 3,-1.4 1,-0.3 4,-0.3 0.698 95.0 74.5 -73.3 -15.4 69.0 60.9 29.9 160 160 A F T XX S+ 0 0 2 -3,-0.8 4,-2.3 -4,-0.7 3,-0.6 0.578 74.9 87.5 -72.6 -3.9 70.8 59.5 26.9 161 161 A G H <> S+ 0 0 0 -3,-1.5 4,-1.1 -4,-0.2 -1,-0.3 0.523 76.7 62.9 -71.9 -6.5 69.9 56.2 28.6 162 162 A K H <> S+ 0 0 17 -3,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.819 108.0 40.9 -84.5 -35.5 66.6 56.2 26.7 163 163 A F H <> S+ 0 0 14 -3,-0.6 4,-3.0 -4,-0.3 5,-0.3 0.921 115.2 52.2 -74.1 -44.5 68.3 56.0 23.4 164 164 A V H X S+ 0 0 4 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.859 116.4 40.3 -57.7 -38.4 70.8 53.5 24.9 165 165 A A H X S+ 0 0 0 -4,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.769 114.4 51.3 -83.4 -29.5 67.8 51.4 26.1 166 166 A E H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.885 109.7 50.4 -73.1 -40.4 65.7 51.9 22.9 167 167 A A H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.930 113.3 47.5 -61.8 -44.5 68.6 50.8 20.7 168 168 A K H >X S+ 0 0 38 -4,-1.3 4,-0.9 -5,-0.3 3,-0.7 0.949 109.6 50.6 -61.3 -54.8 69.0 47.7 22.9 169 169 A F H >< S+ 0 0 11 -4,-2.4 3,-2.0 1,-0.3 7,-0.3 0.969 114.7 44.7 -47.3 -58.3 65.3 46.8 23.0 170 170 A Q H >< S+ 0 0 91 -4,-2.4 3,-0.5 1,-0.3 -1,-0.3 0.718 103.1 65.8 -62.2 -19.9 65.2 47.0 19.2 171 171 A S H << S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.720 123.6 13.3 -75.4 -16.9 68.5 45.1 18.9 172 172 A D T XX + 0 0 67 -3,-2.0 4,-1.9 -4,-0.9 3,-0.5 -0.357 68.9 170.2-157.0 66.7 66.7 42.1 20.3 173 173 A I H <> S+ 0 0 78 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.926 79.1 54.5 -43.4 -62.3 62.9 42.4 20.3 174 174 A P H 3> S+ 0 0 94 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.829 111.0 46.5 -43.5 -44.9 62.2 38.7 21.3 175 175 A L H <> S+ 0 0 58 -3,-0.5 4,-1.8 1,-0.2 3,-0.4 0.971 115.3 41.4 -65.6 -58.1 64.5 38.9 24.3 176 176 A Y H X S+ 0 0 9 -4,-1.9 4,-3.3 -7,-0.3 5,-0.2 0.828 106.2 61.7 -63.6 -34.6 63.3 42.1 25.9 177 177 A T H X S+ 0 0 29 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.891 107.9 46.1 -58.3 -40.8 59.6 41.6 25.3 178 178 A K H X S+ 0 0 161 -4,-1.1 4,-1.4 -3,-0.4 -2,-0.2 0.958 114.3 45.9 -66.0 -53.1 59.7 38.5 27.5 179 179 A L H ><>S+ 0 0 26 -4,-1.8 5,-2.3 1,-0.2 3,-0.6 0.946 116.2 46.7 -54.5 -50.6 61.8 40.2 30.2 180 180 A I H ><5S+ 0 0 0 -4,-3.3 3,-2.7 1,-0.2 -2,-0.2 0.938 107.5 55.6 -58.6 -50.4 59.5 43.3 30.1 181 181 A K H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.759 109.9 46.4 -56.3 -27.2 56.2 41.3 30.2 182 182 A S T <<5S- 0 0 91 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.245 109.1-126.2 -97.9 10.4 57.3 39.5 33.4 183 183 A K T < 5 + 0 0 117 -3,-2.7 2,-1.3 1,-0.2 -3,-0.2 0.861 47.0 171.5 42.3 44.0 58.3 42.8 34.9 184 184 A D >< + 0 0 67 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.657 12.6 176.9 -86.9 89.2 61.7 41.2 35.5 185 185 A V H > S+ 0 0 63 -2,-1.3 4,-3.2 1,-0.2 -1,-0.2 0.975 78.9 45.9 -56.6 -63.2 63.9 44.0 36.6 186 186 A E H > S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.804 109.8 56.5 -53.1 -30.9 67.0 42.0 37.4 187 187 A G H > S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.982 111.6 41.5 -63.3 -53.9 66.6 40.2 34.1 188 188 A I H >X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 3,-0.8 0.954 111.6 61.2 -54.2 -47.7 66.7 43.5 32.2 189 189 A M H 3< S+ 0 0 52 -4,-3.2 4,-0.3 1,-0.3 -1,-0.2 0.817 106.1 42.2 -46.7 -49.4 69.5 44.5 34.6 190 190 A K H 3< S+ 0 0 146 -4,-2.3 -1,-0.3 -3,-0.3 3,-0.2 0.741 112.4 53.8 -77.8 -21.9 71.9 41.8 33.6 191 191 A N H << S+ 0 0 65 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.685 104.8 51.5 -86.8 -19.7 71.3 42.1 29.8 192 192 A I S < S+ 0 0 11 -4,-1.5 2,-0.3 -3,-0.2 -1,-0.2 0.487 114.3 46.5 -93.6 -1.9 71.9 45.8 29.4 193 193 A T - 0 0 38 -4,-0.3 2,-0.6 -5,-0.2 -1,-0.2 -0.968 61.0-160.6-147.3 128.7 75.3 45.6 31.1 194 194 A N >> - 0 0 85 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.922 13.8-150.0-109.1 112.7 78.3 43.2 30.9 195 195 A S H 3> S+ 0 0 97 -2,-0.6 4,-2.0 1,-0.3 5,-0.2 0.824 97.6 57.2 -47.5 -38.7 80.5 43.3 33.9 196 196 A A H 3> S+ 0 0 68 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.940 114.1 36.1 -61.7 -47.8 83.5 42.5 31.7 197 197 A V H <> S+ 0 0 79 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.768 112.2 58.6 -78.6 -28.5 82.9 45.5 29.4 198 198 A E H X S+ 0 0 39 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.925 106.6 49.3 -67.2 -42.4 81.8 47.9 32.2 199 199 A E H X S+ 0 0 112 -4,-2.0 4,-2.9 -5,-0.2 5,-0.2 0.922 106.3 53.9 -65.1 -41.3 85.1 47.5 34.1 200 200 A K H X S+ 0 0 131 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.884 107.5 53.9 -61.0 -33.3 87.2 48.0 31.0 201 201 A I H X S+ 0 0 61 -4,-1.4 4,-2.7 2,-0.2 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-5,-0.2 -2,-0.2 0.828 113.6 55.9 -60.3 -33.3 96.5 62.4 32.4 212 212 A Y H < S- 0 0 99 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.990 120.7 -72.8 -62.3 -78.1 93.9 65.1 32.5 213 213 A G < 0 0 38 -4,-1.7 -181,-0.0 -5,-0.1 -185,-0.0 -0.021 360.0 360.0-144.9-110.7 94.6 66.8 35.9 214 214 A V 0 0 85 -183,-0.1 4,-0.1 4,-0.1 -4,-0.1 -0.721 360.0 360.0 77.0 360.0 94.0 65.9 39.5 215 ! 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 0.0 216 224 A R 0 0 196 0, 0.0 2,-0.6 0, 0.0 -85,-0.0 0.000 360.0 360.0 360.0 -45.8 93.5 64.7 47.8 217 225 A I - 0 0 17 -88,-0.1 3,-0.0 -183,-0.1 -88,-0.0 -0.954 360.0-155.0-108.3 116.6 91.4 62.9 45.2 218 226 A T > - 0 0 69 -2,-0.6 4,-2.0 1,-0.1 5,-0.2 -0.528 26.6-113.0 -83.9 158.4 93.2 60.1 43.5 219 227 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.975 117.4 48.3 -57.6 -52.6 92.1 59.0 39.9 220 228 A E H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.852 109.1 53.5 -57.8 -34.6 90.8 55.7 41.1 221 229 A Y H > S+ 0 0 94 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.902 109.1 49.9 -66.9 -39.5 88.9 57.2 44.0 222 230 A L H >X S+ 0 0 4 -4,-2.0 4,-2.7 -3,-0.3 3,-1.0 0.977 105.5 54.2 -63.4 -53.7 87.1 59.6 41.6 223 231 A V H 3X S+ 0 0 6 -4,-2.3 4,-3.0 1,-0.3 -1,-0.2 0.755 109.2 51.8 -52.9 -26.3 86.1 56.8 39.2 224 232 A K H 3X S+ 0 0 98 -4,-1.0 4,-2.6 -3,-0.3 -1,-0.3 0.817 104.1 53.2 -81.4 -32.3 84.5 55.1 42.2 225 233 A I H S+ 0 0 6 -4,-1.5 4,-1.8 -3,-1.0 5,-0.7 0.983 115.6 44.5 -61.9 -48.0 82.6 58.1 43.3 226 234 A Y H >X>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 4,-1.7 0.957 113.9 47.4 -56.1 -58.7 81.4 58.0 39.7 227 235 A K H 3<5S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.821 119.1 40.2 -55.1 -34.6 80.7 54.3 39.6 228 236 A E H 3<5S+ 0 0 122 -4,-2.6 -1,-0.2 3,-0.1 -2,-0.2 0.613 127.7 22.5 -95.9 -16.1 78.8 54.3 42.9 229 237 A I H <<5S+ 0 0 23 -4,-1.8 4,-0.3 -3,-0.5 -3,-0.2 0.662 129.3 36.9-118.4 -32.1 76.7 57.4 42.9 230 238 A V T >X> S+ 0 0 57 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.843 105.1 50.3 -49.8 -35.2 73.1 53.6 39.5 233 241 A I H <> S+ 0 0 5 -3,-1.0 4,-1.1 -4,-0.3 -2,-0.2 0.837 102.9 60.7 -74.2 -30.4 71.0 56.5 38.2 234 242 A T H XX S+ 0 0 8 -4,-1.2 4,-1.1 -3,-0.9 3,-0.6 0.941 107.5 44.7 -60.0 -44.3 71.9 55.7 34.6 235 243 A K H 3X S+ 0 0 43 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.745 101.9 66.0 -73.5 -24.4 70.3 52.3 34.9 236 244 A E H 3X S+ 0 0 69 -4,-1.1 4,-1.2 -5,-0.2 -1,-0.2 0.827 102.0 50.1 -66.5 -29.7 67.2 53.6 36.7 237 245 A V H < S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.835 104.3 60.0 -53.3 -43.7 61.8 49.6 29.2 243 251 A L H 3< S+ 0 0 47 -4,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.932 110.4 40.7 -54.0 -47.8 59.1 48.5 31.6 244 252 A R T 3< S+ 0 0 106 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 -0.035 85.3 108.1 -93.1 36.4 56.5 50.7 30.1 245 253 A R < 0 0 59 -3,-1.7 -1,-0.2 -138,-0.0 -2,-0.1 0.471 360.0 360.0 -91.5 -1.7 57.6 49.9 26.5 246 254 A L 0 0 124 -3,-0.5 -3,-0.0 -4,-0.1 -2,-0.0 -0.080 360.0 360.0-129.6 360.0 54.6 47.8 25.6 247 ! 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 0.0 248 300 A Y 0 0 124 0, 0.0 -172,-0.2 0, 0.0 -173,-0.1 0.000 360.0 360.0 360.0 360.0 71.8 72.2 17.9