==== 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 COMPLEX (ISOMERASE/PEPTIDE) 14-JUL-97 5CSM . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.STRAETER,G.SCHNAPPAUF,G.BRAUS,W.N.LIPSCOMB . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 72.9 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 . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 48.6 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 2 1 0 0 1 1 0 1 0 0 1 0 0 1 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 60 0, 0.0 2,-0.4 0, 0.0 8,-0.1 0.000 360.0 360.0 360.0 146.0 38.9 -3.5 9.3 2 2 A D > - 0 0 58 3,-0.5 3,-1.9 1,-0.0 7,-0.3 -0.989 360.0-147.2-136.5 116.3 40.7 -0.3 8.9 3 3 A F T 3 S+ 0 0 24 -2,-0.4 100,-0.0 1,-0.3 -1,-0.0 0.342 99.6 56.7 -70.6 9.3 38.4 2.6 8.1 4 4 A T T 3 S+ 0 0 62 1,-0.2 -1,-0.3 96,-0.1 95,-0.0 0.386 100.7 60.7-113.1 -4.4 41.2 4.2 5.9 5 5 A K S X> S- 0 0 92 -3,-1.9 3,-1.7 1,-0.1 4,-1.0 -0.818 71.4-162.9-125.6 92.9 41.5 1.1 3.7 6 6 A P H 3> S+ 0 0 47 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.739 84.2 59.7 -46.1 -37.1 38.1 0.5 2.0 7 7 A E H 34 S+ 0 0 130 1,-0.2 4,-0.2 2,-0.2 -2,-0.0 0.840 100.9 53.3 -67.5 -30.7 38.8 -3.1 1.0 8 8 A T H <4 S+ 0 0 32 -3,-1.7 3,-0.3 -6,-0.2 -1,-0.2 0.838 112.9 49.5 -71.1 -26.1 39.3 -4.2 4.6 9 9 A V H < S+ 0 0 0 -4,-1.0 -2,-0.2 -7,-0.3 -1,-0.1 0.952 109.2 42.9 -79.0 -55.1 35.9 -2.7 5.3 10 10 A L S < S+ 0 0 49 -4,-2.3 2,-0.5 156,-0.1 -1,-0.2 0.335 86.1 117.9 -80.8 19.4 33.6 -4.0 2.6 11 11 A N > - 0 0 70 -3,-0.3 4,-1.6 -4,-0.2 3,-0.4 -0.713 60.8-146.8 -85.4 121.4 35.1 -7.5 3.1 12 12 A L H > S+ 0 0 74 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.745 95.3 51.7 -63.6 -26.5 32.3 -9.8 4.4 13 13 A Q H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.824 108.7 51.2 -79.6 -31.9 34.5 -12.0 6.5 14 14 A N H > S+ 0 0 50 -3,-0.4 4,-1.6 2,-0.2 -2,-0.2 0.803 109.3 53.2 -69.4 -32.6 35.9 -8.9 8.3 15 15 A I H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.897 106.8 50.1 -68.7 -41.7 32.3 -7.8 8.9 16 16 A R H X S+ 0 0 129 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.933 110.4 50.9 -60.8 -48.7 31.3 -11.2 10.5 17 17 A D H X S+ 0 0 88 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.883 111.2 47.1 -56.8 -41.8 34.3 -11.0 12.8 18 18 A E H X S+ 0 0 31 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.908 112.9 49.3 -68.9 -40.8 33.4 -7.5 13.9 19 19 A L H X S+ 0 0 40 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.923 112.0 48.6 -63.6 -42.1 29.7 -8.4 14.4 20 20 A V H X S+ 0 0 49 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.867 110.2 51.5 -66.3 -35.8 30.7 -11.5 16.5 21 21 A R H X S+ 0 0 139 -4,-1.8 4,-1.7 -5,-0.2 -1,-0.2 0.862 107.8 51.9 -71.4 -31.6 33.1 -9.4 18.6 22 22 A M H X S+ 0 0 11 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.743 99.7 65.6 -72.3 -24.1 30.3 -6.9 19.3 23 23 A E H X S+ 0 0 8 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.920 104.8 43.2 -63.8 -43.8 28.1 -9.8 20.4 24 24 A D H X S+ 0 0 40 -4,-1.2 4,-3.0 2,-0.2 5,-0.2 0.932 112.0 54.2 -68.0 -44.6 30.4 -10.4 23.4 25 25 A S H X S+ 0 0 36 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.936 110.2 46.6 -53.9 -47.5 30.6 -6.6 24.1 26 26 A I H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.874 111.9 50.4 -65.7 -39.0 26.9 -6.4 24.2 27 27 A I H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.936 109.8 50.1 -67.0 -43.0 26.6 -9.5 26.5 28 28 A F H X S+ 0 0 109 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.907 111.4 48.9 -60.3 -44.2 29.2 -8.1 28.9 29 29 A K H X S+ 0 0 43 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.843 108.1 53.1 -66.6 -34.8 27.5 -4.8 29.2 30 30 A F H X S+ 0 0 1 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.895 108.4 51.9 -65.9 -40.1 24.0 -6.4 29.8 31 31 A I H X S+ 0 0 10 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.939 108.7 50.4 -61.4 -43.1 25.6 -8.3 32.6 32 32 A E H >< S+ 0 0 95 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.888 113.3 45.1 -60.7 -44.0 27.1 -5.1 34.2 33 33 A R H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.2 98,-0.3 0.738 98.5 73.0 -71.8 -25.1 23.7 -3.4 34.0 34 34 A S H 3< S+ 0 0 14 -4,-1.7 97,-0.3 1,-0.3 -1,-0.2 0.698 82.2 71.6 -64.5 -18.0 21.8 -6.5 35.4 35 35 A H T << S+ 0 0 56 -3,-0.7 -1,-0.3 -4,-0.5 2,-0.3 0.595 93.4 69.1 -74.1 -9.2 23.3 -5.8 38.9 36 36 A F S < S- 0 0 26 -3,-1.7 95,-2.2 1,-0.1 96,-0.4 -0.745 84.4-107.3-115.8 160.8 21.0 -2.8 39.3 37 37 A A - 0 0 1 -2,-0.3 96,-0.2 93,-0.2 99,-0.1 -0.203 46.4 -93.4 -71.5 172.3 17.3 -2.1 39.8 38 38 A T - 0 0 9 94,-2.7 97,-0.2 92,-0.1 95,-0.1 0.765 45.3-160.4 -60.9 -31.5 15.2 -0.6 37.0 39 39 A C > - 0 0 0 95,-2.2 3,-2.3 1,-0.1 4,-0.5 0.879 12.2-177.2 47.7 58.8 15.6 3.0 38.2 40 40 A P G >> S+ 0 0 64 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.784 75.3 68.2 -51.3 -35.7 12.6 4.6 36.4 41 41 A S G 34 S+ 0 0 5 1,-0.2 18,-0.4 2,-0.2 3,-0.3 0.701 88.9 66.0 -62.4 -20.2 13.6 8.0 37.7 42 42 A V G <4 S+ 0 0 0 -3,-2.3 18,-2.1 1,-0.2 17,-0.6 0.817 105.8 40.2 -69.6 -31.3 16.7 8.0 35.5 43 43 A Y T <4 S+ 0 0 37 -3,-1.1 2,-0.5 -4,-0.5 -1,-0.2 0.402 92.3 102.0-100.5 -2.2 14.7 8.1 32.3 44 44 A E S >< S- 0 0 90 -4,-0.5 3,-0.6 -3,-0.3 15,-0.4 -0.757 76.0-117.1 -91.8 130.0 12.0 10.6 33.3 45 45 A A T 3 S- 0 0 61 -2,-0.5 13,-0.3 1,-0.2 -2,-0.1 -0.362 87.9 -4.7 -68.2 133.1 12.3 14.1 32.1 46 46 A N T 3 S- 0 0 56 11,-2.3 -1,-0.2 1,-0.2 5,-0.2 0.915 79.5-173.4 48.0 61.6 12.7 16.7 34.9 47 47 A H X - 0 0 34 -3,-0.6 3,-1.6 3,-0.3 2,-0.4 -0.648 31.4-109.5 -83.5 134.6 12.4 14.5 37.9 48 48 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.549 108.5 22.5 -65.2 121.8 12.3 16.4 41.3 49 49 A G T 3 S+ 0 0 79 -2,-0.4 -3,-0.0 2,-0.0 -2,-0.0 0.120 123.3 56.1 106.8 -24.7 15.6 15.6 43.0 50 50 A L S < S+ 0 0 31 -3,-1.6 2,-0.5 -9,-0.1 -3,-0.3 -0.068 76.5 135.8-125.9 27.7 17.4 14.7 39.8 51 51 A E - 0 0 123 -5,-0.2 5,-0.1 -6,-0.1 7,-0.1 -0.675 45.9-144.5 -86.6 122.1 16.7 18.1 38.2 52 52 A I > - 0 0 33 -2,-0.5 3,-2.2 3,-0.3 -2,-0.1 -0.736 27.0-100.3 -92.9 127.6 19.6 19.6 36.4 53 53 A P T 3 S- 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.185 102.3 -8.5 -44.0 122.6 20.1 23.5 36.5 54 54 A N T 3 S+ 0 0 176 1,-0.2 2,-0.4 -3,-0.0 -3,-0.0 0.739 107.8 118.9 58.3 32.2 18.9 24.9 33.2 55 55 A F < - 0 0 49 -3,-2.2 2,-0.6 2,-0.1 -3,-0.3 -0.993 48.0-159.3-134.0 128.5 18.4 21.6 31.5 56 56 A K + 0 0 196 -2,-0.4 2,-0.3 -3,-0.1 -11,-0.1 -0.948 60.5 54.4-103.7 117.8 15.2 20.1 30.2 57 57 A G S S- 0 0 12 -2,-0.6 -11,-2.3 -13,-0.1 -5,-0.3 -0.900 87.0 -53.8 150.0-175.0 15.4 16.3 29.9 58 58 A S > - 0 0 6 -2,-0.3 4,-1.8 -13,-0.3 -13,-0.2 -0.325 45.7-108.4 -90.5 173.4 16.2 13.2 31.9 59 59 A F H > S+ 0 0 50 -17,-0.6 4,-2.0 -18,-0.4 5,-0.2 0.873 123.5 53.4 -65.9 -39.0 19.3 12.4 34.0 60 60 A L H > S+ 0 0 0 -18,-2.1 4,-2.5 1,-0.2 5,-0.2 0.948 106.6 52.3 -60.8 -49.8 20.2 9.9 31.3 61 61 A D H > S+ 0 0 31 -19,-0.3 4,-2.7 1,-0.2 5,-0.3 0.850 108.5 49.4 -54.7 -42.3 19.9 12.6 28.6 62 62 A W H X S+ 0 0 100 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.939 113.2 45.9 -64.7 -47.3 22.3 15.0 30.5 63 63 A A H X S+ 0 0 24 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.913 118.3 42.6 -61.7 -45.3 24.9 12.3 31.0 64 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.946 114.7 47.1 -69.7 -50.0 24.8 11.1 27.4 65 65 A S H X S+ 0 0 9 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.934 113.3 50.2 -61.0 -42.9 24.6 14.5 25.6 66 66 A N H X S+ 0 0 71 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.882 109.3 51.5 -60.8 -37.1 27.5 15.8 27.7 67 67 A L H X S+ 0 0 48 -4,-1.5 4,-2.6 -5,-0.2 -1,-0.2 0.917 109.2 50.9 -64.8 -43.7 29.6 12.7 26.9 68 68 A E H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 23,-0.2 0.879 106.4 53.2 -62.6 -40.1 28.9 13.2 23.2 69 69 A I H X S+ 0 0 39 -4,-2.1 4,-1.3 2,-0.2 22,-0.3 0.936 111.9 45.8 -60.8 -43.6 30.0 16.8 23.2 70 70 A A H X S+ 0 0 49 -4,-1.7 4,-0.6 1,-0.2 3,-0.4 0.948 115.5 45.7 -64.6 -47.8 33.3 16.0 24.9 71 71 A H H ><>S+ 0 0 45 -4,-2.6 5,-2.0 1,-0.2 3,-0.9 0.827 105.7 60.1 -66.6 -31.4 34.0 13.0 22.6 72 72 A S H ><5S+ 0 0 6 -4,-2.4 3,-1.6 1,-0.3 -1,-0.2 0.866 99.2 59.1 -64.2 -32.2 33.0 15.0 19.4 73 73 A R H 3<5S+ 0 0 99 -4,-1.3 21,-2.2 -3,-0.4 22,-0.4 0.738 106.2 48.1 -69.0 -22.9 35.8 17.4 20.3 74 74 A I T <<5S- 0 0 65 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.073 126.4 -96.8-105.7 25.0 38.2 14.5 20.1 75 75 A R T X 5S+ 0 0 65 -3,-1.6 3,-1.4 20,-0.1 4,-0.5 0.553 74.9 139.6 78.9 16.3 36.9 13.2 16.7 76 76 A R G > > + 0 0 30 1,-0.1 3,-1.8 -22,-0.1 4,-1.0 -0.577 67.0 168.9-125.3 69.7 22.4 14.1 19.9 87 87 A P T 34 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.750 77.3 56.8 -51.7 -29.2 23.3 15.2 16.3 88 88 A D T 34 S+ 0 0 124 1,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.749 108.0 47.6 -76.1 -23.1 22.4 18.8 17.0 89 89 A K T <4 S+ 0 0 104 -3,-1.8 -1,-0.2 2,-0.0 2,-0.0 0.664 80.7 110.7 -93.5 -23.5 24.8 19.1 20.0 90 90 A I < - 0 0 50 -4,-1.0 -21,-0.1 -3,-0.1 2,-0.1 -0.300 54.2-147.6 -61.1 139.7 28.1 17.6 18.7 91 91 A Q - 0 0 98 -22,-0.3 2,-0.3 -23,-0.2 -1,-0.1 -0.298 20.7 -93.5 -96.7-179.7 30.9 20.0 18.1 92 92 A K - 0 0 175 -2,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.699 50.3 -97.4 -94.7 147.1 33.8 20.2 15.7 93 93 A S - 0 0 14 -2,-0.3 -19,-0.2 1,-0.1 -20,-0.2 -0.312 17.1-155.7 -65.3 144.7 37.1 18.6 16.7 94 94 A F S S+ 0 0 149 -21,-2.2 -1,-0.1 2,-0.1 -20,-0.1 0.262 77.5 76.9-102.7 10.5 39.9 20.7 18.1 95 95 A L S S- 0 0 69 -22,-0.4 -2,-0.1 1,-0.0 2,-0.1 -0.804 103.7 -79.7-113.2 157.7 42.5 18.1 16.9 96 96 A P - 0 0 105 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.367 58.2-112.2 -59.5 128.9 43.7 17.6 13.3 97 97 A S - 0 0 76 -4,-0.1 2,-0.4 -2,-0.1 -22,-0.0 -0.250 18.8-125.1 -68.3 146.8 41.0 15.7 11.5 98 98 A I - 0 0 56 -23,-0.1 2,-1.1 -3,-0.1 -1,-0.1 -0.784 25.3-126.7 -88.0 136.2 41.6 12.1 10.2 99 99 A N - 0 0 143 -2,-0.4 -1,-0.0 -95,-0.0 -21,-0.0 -0.761 27.8-170.9 -92.8 100.1 40.9 11.9 6.5 100 100 A Y - 0 0 52 -2,-1.1 -96,-0.1 -22,-0.1 2,-0.1 -0.795 21.7-127.7 -89.8 124.7 38.5 9.1 6.1 101 101 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -96,-0.1 -0.446 36.6 -95.4 -68.1 145.1 38.0 8.1 2.4 102 102 A Q + 0 0 168 1,-0.2 3,-0.1 -2,-0.1 0, 0.0 -0.503 58.9 156.6 -66.4 116.1 34.3 8.1 1.4 103 103 A I + 0 0 19 -2,-0.3 -1,-0.2 2,-0.1 2,-0.2 0.656 58.7 45.4-108.1 -37.9 33.3 4.4 1.8 104 104 A L S S- 0 0 18 1,-0.2 59,-0.1 2,-0.1 -1,-0.0 -0.525 104.3 -76.3-102.2 169.6 29.5 4.7 2.3 105 105 A A > - 0 0 5 -2,-0.2 3,-1.9 1,-0.1 -1,-0.2 -0.369 50.2-108.3 -61.8 152.5 27.0 6.8 0.3 106 106 A P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.800 115.4 56.9 -51.2 -44.6 27.1 10.5 1.2 107 107 A Y T > S+ 0 0 11 1,-0.2 3,-2.1 140,-0.1 4,-0.5 0.411 73.2 111.6 -70.9 -0.8 23.8 10.6 3.0 108 108 A A G X + 0 0 10 -3,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.826 68.8 59.1 -44.6 -40.4 25.0 7.9 5.4 109 109 A P G 3 S+ 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.774 99.9 60.3 -63.5 -23.1 25.1 10.2 8.5 110 110 A E G < S+ 0 0 123 -3,-2.1 2,-1.2 -4,-0.1 -2,-0.2 0.606 80.9 86.3 -78.4 -18.2 21.4 10.9 7.9 111 111 A V < + 0 0 0 -3,-1.6 2,-0.4 -4,-0.5 -1,-0.1 -0.775 61.9 152.5 -84.8 98.4 20.4 7.2 8.4 112 112 A N + 0 0 50 -2,-1.2 3,-0.3 1,-0.1 -2,-0.0 -0.921 27.3 171.2-142.0 111.4 20.1 7.3 12.2 113 113 A Y >> + 0 0 33 -2,-0.4 4,-2.0 1,-0.2 3,-0.5 0.122 44.0 117.4-102.3 16.5 17.9 5.1 14.3 114 114 A N H 3> S+ 0 0 0 1,-0.2 4,-3.0 -30,-0.2 5,-0.2 0.802 71.5 57.2 -58.2 -33.0 19.2 6.1 17.8 115 115 A D H 3> S+ 0 0 120 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.922 110.4 44.5 -64.1 -41.0 15.8 7.6 18.9 116 116 A K H <> S+ 0 0 83 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.871 115.1 48.9 -67.5 -41.1 14.1 4.3 18.3 117 117 A I H X S+ 0 0 3 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.932 109.5 49.9 -64.0 -48.3 17.0 2.4 19.9 118 118 A K H X S+ 0 0 36 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.898 113.7 50.1 -58.4 -40.9 17.1 4.6 23.0 119 119 A K H X S+ 0 0 98 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.900 111.1 42.7 -62.7 -51.8 13.3 4.1 23.3 120 120 A V H X>S+ 0 0 26 -4,-2.4 4,-2.4 2,-0.2 5,-1.6 0.803 111.2 59.6 -69.7 -27.1 13.1 0.3 23.0 121 121 A Y H X>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 4,-0.6 0.976 113.2 36.0 -63.1 -49.8 16.1 0.1 25.4 122 122 A I H <5S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.1 0.956 126.1 37.6 -68.3 -50.3 14.3 1.9 28.1 123 123 A E H <5S+ 0 0 125 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.757 134.1 14.2 -75.4 -29.7 10.8 0.4 27.5 124 124 A K H <5S+ 0 0 84 -4,-2.4 4,-0.4 -5,-0.3 -3,-0.2 0.729 125.0 42.8-118.9 -35.6 11.7 -3.1 26.6 125 125 A I T >X - 0 0 40 -2,-0.3 3,-2.1 -99,-0.1 4,-0.2 -0.924 14.0-163.3-116.0 92.5 17.8 2.6 43.9 137 137 A K T 3 S+ 0 0 133 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.644 83.9 51.9 -49.3 -26.2 18.3 6.1 45.1 138 138 A N T 3 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.354 109.2 49.7 -96.5 0.0 22.0 5.6 45.8 139 139 A N <> + 0 0 43 -3,-2.1 4,-2.3 2,-0.1 5,-0.2 0.127 65.8 115.8-126.1 23.2 22.9 4.1 42.4 140 140 A F H > S+ 0 0 19 -3,-0.3 4,-2.3 1,-0.2 5,-0.1 0.893 85.3 42.7 -59.4 -42.9 21.4 6.6 39.9 141 141 A G H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.859 111.4 53.8 -71.9 -39.7 24.8 7.5 38.5 142 142 A S H > S+ 0 0 42 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.891 112.5 46.5 -59.2 -42.0 26.1 3.9 38.4 143 143 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 3,-0.6 0.974 109.9 51.3 -64.4 -54.2 23.1 3.0 36.4 144 144 A A H 3X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.862 110.1 49.3 -53.4 -41.8 23.2 5.9 33.9 145 145 A T H 3X S+ 0 0 77 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.845 111.6 48.7 -69.7 -32.5 26.9 5.2 33.1 146 146 A R H < S+ 0 0 22 -4,-2.1 3,-0.7 2,-0.2 -2,-0.2 0.950 114.7 44.9 -66.7 -47.8 26.0 -2.9 16.1 158 158 A I H >< S+ 0 0 2 -4,-3.2 3,-1.6 1,-0.2 -2,-0.2 0.946 114.0 47.5 -65.3 -44.5 22.7 -1.8 14.7 159 159 A H H >< S+ 0 0 6 -4,-2.4 3,-1.6 -5,-0.3 4,-0.3 0.584 90.0 83.7 -74.9 -3.9 24.1 1.0 12.4 160 160 A F T XX + 0 0 2 -3,-0.7 4,-1.5 -4,-0.6 3,-0.9 0.619 68.5 84.9 -71.7 -10.2 26.7 -1.5 11.2 161 161 A G H <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.683 77.1 68.5 -62.6 -17.8 24.0 -2.6 8.8 162 162 A K H <> S+ 0 0 3 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.872 101.7 42.7 -68.6 -38.9 25.2 0.3 6.5 163 163 A F H <> S+ 0 0 2 -3,-0.9 4,-2.0 -4,-0.3 -2,-0.2 0.848 113.3 53.3 -74.8 -38.2 28.5 -1.5 5.8 164 164 A V H X S+ 0 0 19 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.959 111.7 46.0 -60.2 -49.4 26.6 -4.8 5.4 165 165 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.852 111.4 50.6 -64.0 -37.4 24.3 -3.1 2.8 166 166 A E H X S+ 0 0 4 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.864 108.5 52.3 -70.1 -35.9 27.1 -1.4 0.9 167 167 A A H X S+ 0 0 11 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.933 112.9 45.2 -62.9 -47.8 29.1 -4.6 0.6 168 168 A K H >< S+ 0 0 57 -4,-2.0 3,-0.7 2,-0.2 4,-0.5 0.930 111.1 52.5 -62.1 -47.4 26.0 -6.4 -0.8 169 169 A F H >< S+ 0 0 10 -4,-2.5 3,-1.8 1,-0.3 7,-0.2 0.945 109.8 48.6 -52.2 -54.8 25.2 -3.5 -3.2 170 170 A Q H 3< S+ 0 0 90 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.684 106.1 58.6 -61.8 -23.0 28.7 -3.5 -4.7 171 171 A S T << S+ 0 0 92 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.503 124.0 15.8 -88.5 -4.5 28.7 -7.3 -5.2 172 172 A D <> + 0 0 67 -3,-1.8 4,-2.1 -4,-0.5 5,-0.2 -0.281 66.7 164.4-166.0 65.8 25.7 -7.3 -7.4 173 173 A I H > S+ 0 0 70 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.866 75.0 56.7 -56.3 -42.0 24.8 -3.8 -8.7 174 174 A P H > S+ 0 0 81 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.924 111.6 43.1 -58.8 -45.1 22.4 -5.0 -11.6 175 175 A L H > S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.950 116.6 44.7 -65.4 -52.8 20.2 -6.8 -9.1 176 176 A Y H X S+ 0 0 11 -4,-2.1 4,-2.7 -7,-0.2 5,-0.2 0.859 106.3 61.8 -62.0 -34.7 20.1 -4.2 -6.4 177 177 A T H X S+ 0 0 27 -4,-2.7 4,-3.2 -5,-0.2 -1,-0.2 0.916 106.1 45.4 -57.9 -44.0 19.6 -1.4 -9.0 178 178 A K H X S+ 0 0 142 -4,-1.4 4,-1.6 -3,-0.2 -1,-0.2 0.813 113.8 49.0 -68.7 -36.1 16.2 -2.9 -10.1 179 179 A L H <>S+ 0 0 17 -4,-1.5 5,-2.6 2,-0.2 4,-0.3 0.897 116.1 43.0 -67.8 -43.6 15.1 -3.5 -6.5 180 180 A I H ><5S+ 0 0 9 -4,-2.7 3,-1.8 3,-0.2 -2,-0.2 0.961 111.6 54.3 -67.2 -51.5 16.0 0.0 -5.5 181 181 A K H 3<5S+ 0 0 147 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.830 115.6 37.5 -52.8 -43.0 14.5 1.6 -8.7 182 182 A S T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.449 108.0-126.0 -91.9 8.1 11.1 -0.0 -8.2 183 183 A K T < 5 + 0 0 146 -3,-1.8 2,-1.5 -4,-0.3 -3,-0.2 0.876 42.5 174.3 49.9 46.4 11.3 0.5 -4.4 184 184 A D >< + 0 0 51 -5,-2.6 4,-1.8 -6,-0.2 3,-0.2 -0.605 9.7 172.6 -88.1 87.4 10.7 -3.2 -3.8 185 185 A V H > S+ 0 0 49 -2,-1.5 4,-3.2 1,-0.2 -1,-0.2 0.876 77.2 53.4 -61.3 -40.7 11.1 -3.6 -0.1 186 186 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 109.2 50.5 -63.9 -39.0 9.9 -7.2 0.1 187 187 A G H > S+ 0 0 9 -3,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.888 112.3 46.6 -66.2 -40.8 12.5 -8.1 -2.6 188 188 A I H >X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 3,-0.5 0.952 111.0 51.5 -66.6 -46.6 15.2 -6.4 -0.6 189 189 A M H >< S+ 0 0 73 -4,-3.2 3,-1.0 1,-0.3 -2,-0.2 0.919 108.8 51.6 -54.7 -45.5 14.2 -8.0 2.6 190 190 A K H >< S+ 0 0 166 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.791 110.0 49.9 -64.0 -30.2 14.3 -11.4 1.0 191 191 A N H << S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.645 111.6 47.5 -84.2 -16.1 17.8 -10.8 -0.3 192 192 A I T << S+ 0 0 14 -4,-1.1 2,-0.5 -3,-1.0 -1,-0.2 0.133 95.9 86.7-109.3 17.6 19.2 -9.7 3.1 193 193 A T < + 0 0 46 -3,-0.5 2,-0.7 -4,-0.2 3,-0.1 -0.964 43.3 175.5-121.5 116.6 17.7 -12.6 5.1 194 194 A N >> - 0 0 96 -2,-0.5 4,-1.8 1,-0.2 3,-0.5 -0.889 10.1-170.9-118.0 92.2 19.6 -15.9 5.5 195 195 A S H 3> S+ 0 0 86 -2,-0.7 4,-2.0 1,-0.2 5,-0.2 0.814 82.0 58.9 -52.0 -36.3 17.3 -17.7 7.9 196 196 A A H 3> S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 107.8 45.8 -61.9 -40.9 19.8 -20.6 8.4 197 197 A V H <> S+ 0 0 60 -3,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.846 108.7 56.2 -72.1 -36.5 22.5 -18.1 9.6 198 198 A E H X S+ 0 0 46 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.902 105.9 50.3 -65.0 -39.3 20.0 -16.4 11.9 199 199 A E H X S+ 0 0 93 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.942 109.4 52.4 -60.3 -47.3 19.1 -19.7 13.7 200 200 A K H X S+ 0 0 130 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.838 106.6 52.6 -55.0 -41.8 22.8 -20.3 14.2 201 201 A I H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.972 109.2 49.1 -62.8 -52.1 23.3 -16.9 15.8 202 202 A L H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.871 109.5 52.7 -55.1 -38.9 20.5 -17.5 18.3 203 203 A E H X S+ 0 0 123 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.918 110.1 47.5 -66.5 -40.6 22.0 -20.9 19.2 204 204 A R H X S+ 0 0 73 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.868 108.6 55.0 -68.6 -34.9 25.4 -19.4 19.9 205 205 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 105.0 53.4 -63.7 -39.7 23.8 -16.7 22.0 206 206 A T H X S+ 0 0 45 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.916 110.4 47.1 -61.8 -40.5 22.1 -19.2 24.1 207 207 A K H X S+ 0 0 147 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.673 110.9 50.8 -76.4 -21.7 25.5 -21.0 24.8 208 208 A K H >X S+ 0 0 23 -4,-1.3 4,-3.2 2,-0.2 3,-1.0 0.903 107.1 53.4 -78.6 -41.3 27.3 -17.8 25.6 209 209 A A H 3< S+ 0 0 3 -4,-2.4 11,-0.5 1,-0.3 -2,-0.2 0.779 105.2 58.4 -61.1 -28.8 24.6 -16.7 28.1 210 210 A E H 3< S+ 0 0 116 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.797 119.3 24.0 -74.0 -26.7 25.2 -20.1 29.7 211 211 A V H X< S+ 0 0 81 -3,-1.0 3,-1.6 -4,-0.6 -2,-0.2 0.748 93.3 104.2-111.1 -29.4 28.8 -19.6 30.4 212 212 A Y T 3< S- 0 0 53 -4,-3.2 8,-0.3 1,-0.3 3,-0.1 -0.357 100.5 -7.0 -64.0 125.4 29.5 -15.8 30.5 213 213 A G T 3 S+ 0 0 37 1,-0.3 2,-0.6 -2,-0.2 -1,-0.3 0.523 98.7 129.5 70.6 5.8 29.9 -14.3 34.0 214 214 A V S < S- 0 0 69 -3,-1.6 -1,-0.3 2,-0.0 -4,-0.0 -0.821 70.0-116.0 -92.4 121.7 29.0 -17.7 35.5 215 215 A D - 0 0 126 -2,-0.6 -3,-0.0 1,-0.2 -1,-0.0 -0.556 20.5-145.1 -68.1 113.8 31.7 -18.6 38.1 216 216 A P 0 0 133 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.539 360.0 360.0 -49.6 -23.1 33.3 -21.8 36.6 217 217 A T 0 0 169 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.109 360.0 360.0 -92.6 360.0 33.8 -23.3 40.0 218 ! 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 0.0 219 224 A R 0 0 146 0, 0.0 2,-0.4 0, 0.0 -6,-0.1 0.000 360.0 360.0 360.0 -46.7 23.8 -13.5 35.2 220 225 A I - 0 0 18 -11,-0.5 -91,-0.1 -8,-0.3 3,-0.1 -0.982 360.0-114.9-134.4 140.9 21.6 -13.1 32.1 221 226 A S > - 0 0 46 -2,-0.4 4,-2.0 -93,-0.2 5,-0.2 -0.623 13.8-144.4 -74.0 132.6 18.8 -15.4 31.0 222 227 A P H > S+ 0 0 36 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.942 100.8 55.9 -63.2 -39.0 19.4 -17.2 27.7 223 228 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.859 110.9 44.2 -56.5 -42.7 15.7 -16.9 26.7 224 229 A Y H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.837 110.2 53.8 -73.0 -35.0 15.8 -13.1 27.2 225 230 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.891 112.3 45.7 -64.9 -41.1 19.1 -12.7 25.4 226 231 A V H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.914 110.8 52.7 -67.6 -42.2 17.6 -14.6 22.4 227 232 A K H X S+ 0 0 76 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.900 109.0 50.8 -61.1 -41.4 14.3 -12.5 22.6 228 233 A I H X>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 4,-1.6 0.893 115.2 39.8 -63.1 -47.1 16.4 -9.2 22.5 229 234 A Y H <>S+ 0 0 2 -4,-1.8 5,-2.7 3,-0.2 -2,-0.2 0.926 120.8 44.7 -70.2 -40.9 18.4 -10.1 19.5 230 235 A K H <5S+ 0 0 120 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.902 124.5 31.5 -71.8 -40.3 15.5 -11.8 17.7 231 236 A E H <5S+ 0 0 94 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.2 0.685 137.3 11.2 -94.5 -16.7 12.9 -9.1 18.4 232 237 A I T X5S+ 0 0 9 -4,-1.6 4,-2.0 -5,-0.3 5,-0.3 0.719 121.2 45.1-126.3 -58.9 15.0 -6.0 18.5 233 238 A V H > S+ 0 0 50 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.892 113.1 44.4 -58.5 -43.3 14.9 -6.5 13.0 236 241 A I H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.850 108.1 58.4 -72.3 -30.6 16.2 -2.9 13.5 237 242 A T H X S+ 0 0 7 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.923 106.8 50.0 -62.5 -41.0 19.5 -3.7 11.7 238 243 A K H X S+ 0 0 27 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.868 105.4 55.0 -63.7 -38.7 17.4 -4.7 8.7 239 244 A E H X S+ 0 0 71 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.850 108.1 50.1 -61.7 -38.5 15.5 -1.4 8.8 240 245 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.928 111.5 49.6 -63.5 -45.1 18.8 0.4 8.7 241 246 A E H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.902 112.0 45.0 -63.3 -44.8 19.8 -1.7 5.7 242 247 A V H X S+ 0 0 21 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.932 115.3 48.2 -69.6 -38.6 16.6 -1.2 3.6 243 248 A E H X S+ 0 0 64 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.904 111.4 49.7 -64.9 -41.8 16.6 2.5 4.3 244 249 A Y H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.951 115.0 45.8 -60.4 -45.2 20.3 2.9 3.4 245 250 A L H >< S+ 0 0 0 -4,-2.2 3,-1.9 1,-0.2 4,-0.3 0.912 104.3 58.9 -66.3 -44.0 19.5 0.9 0.2 246 251 A L H 3< S+ 0 0 42 -4,-3.0 3,-0.2 1,-0.3 -1,-0.2 0.768 112.4 41.6 -59.2 -25.7 16.3 2.8 -0.9 247 252 A R T 3< S+ 0 0 50 -4,-1.1 3,-0.4 -3,-0.4 -1,-0.3 0.386 84.1 107.7 -99.6 1.5 18.3 6.0 -1.0 248 253 A R < + 0 0 48 -3,-1.9 2,-1.0 1,-0.3 -1,-0.1 0.768 68.8 61.7 -52.3 -33.4 21.4 4.5 -2.7 249 254 A L S S- 0 0 80 -4,-0.3 -1,-0.3 -3,-0.2 -4,-0.0 -0.327 135.6 -65.6 -96.9 59.7 20.9 6.1 -6.1 250 255 A E 0 0 176 -2,-1.0 -1,-0.2 -3,-0.4 -2,-0.1 0.817 360.0 360.0 55.0 118.2 21.2 9.6 -4.5 251 256 A E 0 0 144 -3,-0.1 -4,-0.1 -4,-0.1 -144,-0.1 -0.884 360.0 360.0 178.2 360.0 18.5 10.5 -2.1 252 ! 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 0.0 253 300 A W 0 0 139 0, 0.0 -175,-0.1 0, 0.0 -176,-0.0 0.000 360.0 360.0 360.0 360.0 37.8 6.4 16.5