==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-SEP-11 4A2R . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR L.GIGER,S.CANER,P.KAST,D.BAKER,N.BAN,D.HILVERT . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11465.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.8 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 0 1 0 0 1 2 3 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 2 A P 0 0 39 0, 0.0 135,-0.3 0, 0.0 134,-0.1 0.000 360.0 360.0 360.0 169.1 -15.2 34.0 -2.4 2 3 A R - 0 0 72 133,-2.2 2,-0.4 1,-0.1 135,-0.1 -0.344 360.0 -94.4 -62.6 158.4 -11.8 35.6 -1.9 3 4 A Y + 0 0 228 133,-0.0 2,-0.2 -2,-0.0 -1,-0.1 -0.660 57.8 176.5 -73.1 133.9 -11.3 39.1 -3.3 4 5 A L - 0 0 37 -2,-0.4 2,-0.3 2,-0.1 131,-0.0 -0.768 20.5-130.5-135.3 174.8 -9.7 38.7 -6.7 5 6 A K >> - 0 0 190 -2,-0.2 4,-1.4 4,-0.0 3,-0.7 -0.839 56.6 -3.2-126.6 163.8 -8.6 40.8 -9.7 6 7 A G H 3> S- 0 0 61 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 -0.082 118.6 -16.6 62.4-149.6 -9.0 40.8 -13.5 7 8 A W H 3> S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.812 133.9 60.4 -65.4 -28.6 -10.9 38.2 -15.4 8 9 A L H <> S+ 0 0 49 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.920 105.7 47.4 -66.5 -41.5 -10.8 35.8 -12.5 9 10 A E H X S+ 0 0 48 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.910 113.0 50.7 -61.1 -42.8 -12.7 38.2 -10.3 10 11 A D H X S+ 0 0 50 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.929 111.6 45.1 -61.4 -47.1 -15.1 38.7 -13.2 11 12 A V H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.858 112.8 51.5 -71.0 -32.4 -15.7 35.0 -13.7 12 13 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.923 111.1 47.5 -69.0 -41.9 -16.1 34.3 -10.0 13 14 A Q H X S+ 0 0 70 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.908 112.3 50.3 -64.3 -39.5 -18.7 37.1 -9.7 14 15 A L H >< S+ 0 0 47 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.903 107.9 54.0 -61.7 -40.8 -20.5 35.7 -12.8 15 16 A S H >< S+ 0 0 3 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.848 98.5 62.2 -65.6 -33.5 -20.4 32.3 -11.1 16 17 A L H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.785 107.9 45.1 -59.1 -26.3 -22.1 33.7 -8.0 17 18 A R T << S+ 0 0 157 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.295 80.6 138.9-100.1 8.4 -25.1 34.5 -10.2 18 19 A R < - 0 0 11 -3,-1.6 2,-0.1 -4,-0.1 -3,-0.1 -0.346 58.0-119.9 -59.6 118.8 -25.2 31.2 -12.1 19 20 A P - 0 0 97 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.381 29.2-123.2 -61.2 135.8 -28.8 30.1 -12.5 20 21 A S - 0 0 63 -2,-0.1 2,-0.4 -3,-0.1 97,-0.1 -0.411 18.7-126.4 -80.4 156.1 -29.5 26.8 -10.8 21 22 A V - 0 0 29 95,-0.3 2,-0.7 -2,-0.1 102,-0.1 -0.847 6.3-151.7-105.4 137.7 -30.9 23.8 -12.6 22 23 A H + 0 0 174 -2,-0.4 2,-0.3 2,-0.0 98,-0.0 -0.938 46.4 128.2-104.2 108.0 -34.0 21.9 -11.6 23 24 A A - 0 0 38 -2,-0.7 2,-0.5 0, 0.0 101,-0.1 -0.985 57.3-115.4-156.1 156.6 -33.5 18.3 -12.9 24 25 A S - 0 0 100 -2,-0.3 99,-0.1 100,-0.1 -2,-0.0 -0.871 41.1-109.9 -99.1 129.5 -33.5 14.8 -11.7 25 26 A R - 0 0 37 -2,-0.5 99,-0.1 1,-0.1 98,-0.1 -0.327 25.7-158.7 -59.8 138.5 -30.2 13.0 -11.8 26 27 A Q + 0 0 58 97,-0.2 -1,-0.1 2,-0.1 97,-0.1 0.239 63.5 27.2-105.8 12.1 -30.3 10.3 -14.5 27 28 A R S S- 0 0 31 76,-0.0 98,-0.1 3,-0.0 73,-0.0 -0.976 84.9 -81.8-167.7 161.6 -27.5 8.0 -13.4 28 29 A P - 0 0 89 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.239 50.5 -96.4 -69.8 166.5 -25.5 6.7 -10.5 29 30 A I - 0 0 58 76,-0.1 2,-0.7 98,-0.0 98,-0.1 -0.816 39.2-161.9 -76.5 119.3 -22.6 8.5 -8.9 30 31 A I - 0 0 39 -2,-0.7 76,-0.2 74,-0.1 2,-0.1 -0.925 21.2-128.8-107.6 100.6 -19.7 6.9 -10.6 31 32 A S > - 0 0 36 -2,-0.7 4,-1.4 1,-0.1 5,-0.1 -0.307 19.3-165.5 -63.6 124.0 -16.7 7.7 -8.2 32 33 A L H > S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.932 87.7 49.6 -71.0 -48.4 -13.7 9.2 -10.0 33 34 A N H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 111.8 49.1 -62.0 -39.0 -11.2 8.8 -7.1 34 35 A E H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 108.8 52.1 -68.1 -38.1 -12.2 5.1 -6.6 35 36 A R H X S+ 0 0 60 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.882 106.6 55.0 -67.2 -34.4 -11.8 4.4 -10.4 36 37 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.938 108.1 47.8 -58.7 -47.9 -8.3 5.9 -10.3 37 38 A L H X S+ 0 0 60 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.870 110.0 53.5 -63.7 -35.1 -7.3 3.6 -7.5 38 39 A E H X S+ 0 0 104 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.913 108.9 48.4 -64.5 -44.2 -8.8 0.7 -9.5 39 40 A F H X>S+ 0 0 23 -4,-2.5 5,-2.9 2,-0.2 4,-0.6 0.917 109.7 52.9 -59.7 -44.8 -6.7 1.7 -12.5 40 41 A N H ><5S+ 0 0 24 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.942 109.3 49.1 -54.9 -49.9 -3.6 1.9 -10.2 41 42 A K H 3<5S+ 0 0 165 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 113.7 46.0 -55.6 -41.4 -4.3 -1.6 -8.9 42 43 A S H 3<5S- 0 0 82 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.453 113.6-120.7 -85.1 -1.4 -4.7 -2.9 -12.5 43 44 A N T <<5 + 0 0 128 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.836 63.5 145.4 66.9 32.3 -1.5 -1.0 -13.5 44 45 A I < - 0 0 71 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.915 57.3-114.1-103.9 122.8 -3.4 1.1 -16.1 45 46 A T - 0 0 19 201,-0.6 2,-0.8 -2,-0.5 183,-0.1 -0.337 31.5-138.5 -56.7 127.9 -2.2 4.7 -16.5 46 47 A A + 0 0 1 181,-0.4 183,-2.2 30,-0.1 2,-0.5 -0.806 26.7 176.7-102.4 107.2 -5.1 6.8 -15.3 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.3 28,-0.3 31,-1.0 -0.925 22.5-149.1-115.1 128.5 -5.8 9.9 -17.5 48 49 A I E -ab 230 78A 0 181,-3.3 183,-1.8 -2,-0.5 31,-0.2 -0.873 22.7-142.0 -94.1 112.2 -8.5 12.4 -17.0 49 50 A A E - b 0 79A 0 29,-2.2 31,-3.1 -2,-0.7 2,-0.5 -0.520 13.0-144.2 -76.4 145.2 -9.5 13.6 -20.4 50 51 A Y E - b 0 80A 20 182,-0.3 2,-0.5 29,-0.2 31,-0.2 -0.947 14.6-171.9-121.9 124.7 -10.4 17.3 -20.6 51 52 A Y E + b 0 81A 6 29,-2.9 31,-2.4 -2,-0.5 2,-0.3 -0.972 14.2 158.1-116.1 126.2 -13.0 18.9 -22.8 52 53 A T - 0 0 2 -2,-0.5 3,-0.1 29,-0.2 37,-0.1 -0.986 35.7-144.2-141.9 138.4 -13.4 22.6 -23.2 53 54 A R S S+ 0 0 111 35,-0.6 2,-0.4 -2,-0.3 36,-0.2 0.870 95.1 31.5 -67.5 -37.7 -15.1 24.4 -26.1 54 55 A K S S- 0 0 93 34,-1.3 -1,-0.2 6,-0.1 36,-0.1 -0.989 80.4-149.2-124.8 128.3 -12.7 27.3 -25.9 55 56 A S > - 0 0 12 -2,-0.4 3,-1.6 -3,-0.1 5,-0.1 -0.771 17.2-134.5-100.8 142.4 -9.1 26.8 -24.8 56 57 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.649 101.8 72.5 -65.0 -15.5 -7.0 29.4 -22.9 57 58 A S T 3 S- 0 0 91 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.627 107.7-122.9 -74.7 -14.0 -4.1 28.6 -25.3 58 59 A G S < S+ 0 0 63 -3,-1.6 2,-0.8 1,-0.1 -1,-0.1 0.444 84.3 110.8 84.4 -0.0 -6.0 30.4 -28.1 59 60 A L - 0 0 104 2,-0.0 2,-0.3 -5,-0.0 -2,-0.1 -0.766 51.3-173.4-106.4 83.5 -5.8 27.2 -30.2 60 61 A D - 0 0 69 -2,-0.8 2,-0.5 -5,-0.1 -6,-0.1 -0.614 6.9-155.6 -81.3 136.1 -9.5 26.2 -30.2 61 62 A V - 0 0 28 -2,-0.3 2,-0.7 -8,-0.1 -2,-0.0 -0.945 16.5-125.7-117.1 130.4 -10.2 22.8 -31.7 62 63 A E + 0 0 195 -2,-0.5 2,-0.4 175,-0.0 -9,-0.0 -0.623 45.6 155.5 -74.0 114.1 -13.6 21.8 -33.2 63 64 A R - 0 0 68 -2,-0.7 -2,-0.1 -10,-0.1 174,-0.1 -0.967 46.7-122.8-145.0 125.2 -14.6 18.6 -31.5 64 65 A D > - 0 0 73 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.522 23.5-145.8 -64.3 120.8 -18.1 17.2 -31.0 65 66 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.836 96.5 49.7 -64.6 -31.2 -18.3 16.8 -27.2 66 67 A I H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.914 112.2 47.1 -71.8 -44.0 -20.4 13.7 -27.4 67 68 A E H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.914 114.0 49.0 -60.9 -42.2 -18.1 12.0 -29.9 68 69 A Y H X S+ 0 0 5 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.943 112.1 48.0 -62.8 -48.1 -15.1 13.0 -27.8 69 70 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.914 111.7 49.1 -59.5 -45.7 -16.7 11.6 -24.6 70 71 A K H < S+ 0 0 96 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.860 112.6 48.2 -66.4 -34.7 -17.7 8.3 -26.3 71 72 A F H >< S+ 0 0 32 -4,-2.0 3,-1.5 -5,-0.2 4,-0.3 0.949 112.9 47.4 -66.6 -47.7 -14.2 7.9 -27.6 72 73 A M H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.3 3,-1.4 0.747 93.4 77.1 -68.9 -23.5 -12.6 8.7 -24.3 73 74 A E T 3< S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.783 95.2 52.5 -53.6 -26.5 -15.0 6.3 -22.5 74 75 A R T <4 S+ 0 0 163 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.689 127.1 14.0 -83.9 -20.1 -12.7 3.5 -23.9 75 76 A Y T <4 S+ 0 0 72 -3,-1.4 -28,-0.3 -4,-0.3 -2,-0.2 0.721 102.2 84.0-125.2 -41.0 -9.4 4.9 -22.6 76 77 A A < - 0 0 0 -4,-2.7 -28,-0.2 1,-0.1 3,-0.1 -0.357 62.9-139.6 -79.9 152.7 -9.8 7.6 -20.0 77 78 A V S S- 0 0 0 -30,-2.3 2,-0.3 1,-0.3 -29,-0.2 0.767 84.9 -24.9 -77.1 -25.4 -10.3 7.1 -16.2 78 79 A G E -b 48 0A 0 -31,-1.0 -29,-2.2 26,-0.1 2,-0.4 -0.969 64.9-106.8-170.8 175.4 -12.7 10.0 -16.3 79 80 A L E -bc 49 106A 1 26,-2.5 28,-3.6 -2,-0.3 2,-0.5 -0.937 13.6-154.3-118.9 139.3 -13.8 13.2 -18.1 80 81 A S E -bc 50 107A 0 -31,-3.1 -29,-2.9 -2,-0.4 2,-0.5 -0.983 16.4-167.1-110.1 123.4 -13.3 16.8 -17.0 81 82 A I E -bc 51 108A 2 26,-2.7 28,-2.7 -2,-0.5 2,-0.7 -0.951 15.5-140.4-118.4 118.7 -16.0 19.0 -18.6 82 83 A K E + c 0 109A 19 -31,-2.4 -29,-0.3 -2,-0.5 9,-0.3 -0.690 24.1 174.2 -83.4 114.4 -15.5 22.8 -18.5 83 84 A T + 0 0 0 26,-2.1 2,-0.2 -2,-0.7 27,-0.2 0.366 34.2 122.0-105.5 3.8 -19.0 24.2 -17.8 84 85 A E - 0 0 3 25,-0.6 6,-2.9 1,-0.1 4,-0.2 -0.502 46.6-160.3 -68.5 134.5 -18.1 27.9 -17.4 85 86 A E S > S+ 0 0 82 4,-0.3 4,-0.8 -2,-0.2 -1,-0.1 0.885 70.7 49.2 -90.1 -44.5 -20.0 29.9 -20.0 86 87 A K T 4 S+ 0 0 114 2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.876 125.8 17.3 -74.0 -41.5 -18.5 33.3 -20.7 87 88 A Y T 4 S+ 0 0 76 1,-0.0 -1,-0.2 -33,-0.0 -2,-0.1 0.740 136.6 33.3-103.1 -30.5 -14.8 32.5 -21.2 88 89 A F T 4 S- 0 0 20 -4,-0.2 -34,-1.3 -35,-0.1 -35,-0.6 0.487 92.9-133.8-109.4 -5.4 -14.9 28.8 -21.9 89 90 A N < + 0 0 81 -4,-0.8 -4,-0.3 -36,-0.2 -3,-0.1 0.777 54.1 143.6 57.5 32.3 -18.2 28.5 -23.7 90 91 A G - 0 0 5 -6,-2.9 2,-0.3 -36,-0.1 -7,-0.2 -0.309 29.3-163.0 -85.8 178.0 -19.4 25.5 -21.8 91 92 A S > - 0 0 25 -9,-0.3 4,-1.7 1,-0.1 -7,-0.1 -0.989 33.9-121.7-159.9 157.5 -22.9 24.8 -20.6 92 93 A Y H > S+ 0 0 9 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.856 114.0 58.6 -66.2 -37.4 -25.0 22.8 -18.3 93 94 A E H > S+ 0 0 132 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 105.1 50.3 -59.6 -41.3 -26.9 21.4 -21.2 94 95 A M H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 110.0 49.6 -63.8 -43.7 -23.6 20.0 -22.7 95 96 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.934 110.7 50.5 -58.8 -45.6 -22.7 18.4 -19.3 96 97 A R H X S+ 0 0 72 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.917 111.2 47.9 -59.1 -45.6 -26.2 16.8 -19.1 97 98 A K H X S+ 0 0 139 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.900 113.5 47.5 -63.9 -42.0 -25.9 15.4 -22.7 98 99 A I H >X S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.2 4,-1.1 0.942 110.6 51.4 -64.1 -46.1 -22.4 14.0 -22.0 99 100 A A H 3< S+ 0 0 2 -4,-3.0 3,-0.2 1,-0.3 -1,-0.2 0.834 109.7 50.6 -61.3 -31.6 -23.4 12.5 -18.7 100 101 A S H 3< S+ 0 0 74 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.601 110.5 52.2 -80.3 -9.0 -26.4 10.7 -20.5 101 102 A S H << S+ 0 0 37 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.2 0.636 108.9 39.0-103.9 -18.7 -24.0 9.4 -23.1 102 103 A V < - 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0 0 17 -20,-2.6 -19,-0.2 -2,-0.7 -1,-0.2 0.823 17.8-176.1 -94.9 -78.0 -1.1 22.3 -10.6 180 181 A S + 0 0 10 -21,-0.4 9,-2.9 1,-0.2 2,-0.4 0.941 35.8 161.8 67.2 56.5 1.7 24.7 -9.5 181 182 A M E -I 188 0B 20 7,-0.2 2,-1.0 11,-0.1 7,-0.2 -0.852 51.0-127.5-114.4 140.3 0.9 26.8 -12.5 182 183 A N E >>> -I 187 0B 73 5,-2.6 4,-2.8 -2,-0.4 5,-0.9 -0.788 26.0-160.3 -79.1 106.1 1.9 30.4 -13.3 183 184 A F T 345S+ 0 0 107 -2,-1.0 -1,-0.1 1,-0.2 5,-0.0 0.500 85.1 60.6 -81.2 3.1 -1.7 31.5 -14.1 184 185 A E T 345S+ 0 0 175 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.765 122.7 21.4 -84.8 -31.9 -0.4 34.5 -16.0 185 186 A T T <45S- 0 0 80 -3,-0.7 -2,-0.2 2,-0.2 3,-0.1 0.570 98.3-128.3-109.1 -15.3 1.4 32.3 -18.5 186 187 A G T <5 + 0 0 38 -4,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.700 62.4 138.1 73.3 20.9 -0.5 29.1 -18.0 187 188 A E E < -I 182 0B 126 -5,-0.9 -5,-2.6 2,-0.0 2,-0.3 -0.851 50.8-132.4-108.5 131.9 2.8 27.2 -17.5 188 189 A I E -I 181 0B 14 -2,-0.4 2,-1.0 -7,-0.2 -7,-0.2 -0.619 11.4-138.4 -80.4 133.1 3.5 24.5 -14.9 189 190 A N > - 0 0 73 -9,-2.9 4,-2.5 -2,-0.3 5,-0.2 -0.821 17.6-165.3 -88.7 102.5 6.6 24.9 -12.9 190 191 A K H > S+ 0 0 81 -2,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.872 83.4 54.5 -64.4 -36.8 7.6 21.2 -12.9 191 192 A E H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.951 113.3 41.5 -58.7 -51.0 10.1 21.6 -10.0 192 193 A N H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.861 111.1 56.8 -67.4 -36.5 7.5 23.2 -7.7 193 194 A Q H X S+ 0 0 0 -4,-2.5 4,-2.3 -13,-0.2 -1,-0.2 0.927 108.7 47.4 -59.9 -43.7 4.9 20.7 -8.8 194 195 A R H X S+ 0 0 63 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.881 109.2 52.8 -69.2 -35.7 7.1 17.9 -7.7 195 196 A K H X S+ 0 0 115 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.933 110.4 48.6 -63.0 -43.5 8.0 19.5 -4.4 196 197 A L H >X S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.917 108.1 54.0 -61.8 -44.3 4.3 19.9 -3.6 197 198 A I H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.896 104.6 55.1 -56.4 -40.2 3.6 16.3 -4.6 198 199 A S H 3< S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.673 104.5 55.2 -68.1 -16.9 6.3 15.1 -2.1 199 200 A M H << S+ 0 0 80 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.503 85.0 101.3 -93.7 -7.6 4.5 17.0 0.7 200 201 A I S << S- 0 0 15 -3,-1.3 6,-0.1 -4,-0.5 4,-0.0 -0.658 78.5-111.7 -86.2 131.8 1.2 15.3 0.3 201 202 A P > - 0 0 52 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.165 24.2-115.6 -58.5 154.8 0.2 12.5 2.7 202 203 A S T 3 S+ 0 0 121 1,-0.3 -2,-0.0 3,-0.0 23,-0.0 0.682 110.5 64.4 -67.1 -19.1 0.1 8.9 1.3 203 204 A N T 3 S+ 0 0 85 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.325 84.4 92.2 -91.7 9.6 -3.7 8.7 2.0 204 205 A V S < S- 0 0 3 -3,-1.6 2,-0.5 -4,-0.0 -29,-0.2 -0.886 77.2-129.3-102.2 131.8 -4.5 11.4 -0.5 205 206 A V E -g 175 0A 15 -31,-2.8 -29,-2.5 -2,-0.5 2,-0.5 -0.724 31.3-149.7 -79.5 124.9 -5.4 10.5 -4.1 206 207 A K E -g 176 0A 15 -2,-0.5 22,-1.8 19,-0.3 21,-1.8 -0.870 19.1-174.8-111.3 127.1 -3.2 12.7 -6.2 207 208 A V E -gh 177 228A 0 -31,-2.7 -29,-3.0 -2,-0.5 2,-0.4 -0.975 13.0-156.7-118.3 120.4 -3.9 14.1 -9.7 208 209 A A E -gh 178 229A 0 20,-2.4 22,-2.5 -2,-0.5 2,-0.5 -0.830 14.9-132.5 -98.3 134.8 -1.2 16.0 -11.5 209 210 A K E - h 0 230A 30 -31,-2.3 2,-0.5 -2,-0.4 22,-0.2 -0.729 33.0-123.6 -74.4 124.2 -1.9 18.5 -14.2 210 211 A L - 0 0 4 20,-2.3 3,-0.2 -2,-0.5 -22,-0.1 -0.593 25.8-173.3 -76.6 123.1 0.6 17.6 -17.0 211 212 A G S S+ 0 0 36 -2,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.774 88.6 34.0 -77.7 -29.1 2.9 20.5 -18.1 212 213 A I S S- 0 0 72 2,-0.1 2,-1.8 -3,-0.1 -1,-0.3 -0.988 79.5-148.4-127.6 117.4 4.1 18.2 -20.8 213 214 A S + 0 0 18 -2,-0.4 2,-0.3 -3,-0.2 32,-0.1 -0.481 59.8 110.0 -89.7 68.9 1.5 15.9 -22.3 214 215 A E S > S- 0 0 97 -2,-1.8 4,-1.5 31,-0.1 3,-0.4 -0.948 78.3-112.0-140.1 157.9 4.0 13.1 -23.2 215 216 A R H > S+ 0 0 147 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.806 111.8 60.0 -65.4 -31.6 4.6 9.6 -21.8 216 217 A N H > S+ 0 0 119 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 105.1 48.0 -62.3 -44.2 8.0 10.4 -20.3 217 218 A E H > S+ 0 0 10 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.896 111.9 51.5 -62.1 -41.2 6.5 13.1 -18.0 218 219 A I H X S+ 0 0 4 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.907 108.4 50.4 -62.7 -43.4 3.8 10.7 -16.9 219 220 A E H X S+ 0 0 76 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.909 109.9 50.6 -64.7 -40.5 6.3 8.0 -16.1 220 221 A E H X S+ 0 0 88 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.924 113.5 44.8 -62.0 -44.3 8.4 10.4 -14.0 221 222 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-0.6 0.865 108.4 55.9 -71.8 -36.5 5.4 11.6 -12.0 222 223 A R H ><5S+ 0 0 85 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.882 103.7 55.7 -62.7 -37.0 4.0 8.1 -11.4 223 224 A K H 3<5S+ 0 0 157 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.781 103.2 56.4 -64.3 -25.8 7.3 7.1 -9.9 224 225 A L T <<5S- 0 0 92 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.420 130.0 -94.3 -88.1 0.8 6.8 10.0 -7.5 225 226 A G T < 5S+ 0 0 30 -3,-1.5 -19,-0.3 1,-0.3 -3,-0.2 0.476 70.4 152.5 104.2 4.8 3.5 8.7 -6.3 226 227 A V < - 0 0 0 -5,-2.0 -1,-0.3 1,-0.1 -19,-0.1 -0.492 27.6-162.8 -68.9 135.2 1.0 10.5 -8.6 227 228 A N + 0 0 22 -21,-1.8 -181,-0.4 1,-0.2 2,-0.3 0.781 63.8 4.8 -91.4 -32.5 -2.2 8.5 -9.1 228 229 A A E - h 0 207A 0 -22,-1.8 -20,-2.4 -183,-0.1 2,-0.4 -0.954 63.8-130.5-152.2 170.2 -3.7 10.1 -12.1 229 230 A F E -ah 47 208A 0 -183,-2.2 -181,-3.3 -2,-0.3 2,-0.7 -0.983 4.2-148.3-136.6 127.5 -3.1 12.8 -14.7 230 231 A L E -ah 48 209A 7 -22,-2.5 -20,-2.3 -2,-0.4 -181,-0.2 -0.861 30.5-152.3 -93.6 115.1 -5.1 15.7 -16.0 231 232 A I - 0 0 1 -183,-1.8 -20,-0.0 -2,-0.7 -18,-0.0 -0.412 20.3 -88.6 -91.3 164.5 -4.2 16.1 -19.6 232 233 A S > - 0 0 32 1,-0.1 3,-1.7 -2,-0.1 -182,-0.3 -0.297 27.3-120.8 -69.0 150.3 -4.2 19.2 -21.8 233 234 A S G > S+ 0 0 12 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.663 104.7 85.1 -60.1 -16.0 -7.2 20.3 -23.8 234 235 A S G >> S+ 0 0 47 1,-0.3 3,-1.9 2,-0.2 4,-0.7 0.754 70.9 74.1 -60.1 -24.7 -4.8 20.0 -26.8 235 236 A L G <4 S+ 0 0 5 -3,-1.7 -1,-0.3 1,-0.3 6,-0.2 0.695 78.2 76.1 -63.9 -17.9 -5.7 16.3 -26.9 236 237 A M G <4 S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.814 89.3 58.1 -60.3 -29.8 -9.0 17.4 -28.4 237 238 A R T <4 S+ 0 0 138 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.929 127.6 11.2 -66.7 -47.4 -7.1 17.9 -31.6 238 239 A N >< + 0 0 68 -4,-0.7 3,-2.0 1,-0.1 -1,-0.3 -0.705 67.2 177.9-134.5 85.3 -5.9 14.3 -31.7 239 240 A P T > S+ 0 0 4 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.796 74.7 74.3 -53.1 -32.0 -7.8 12.2 -29.2 240 241 A E T >> S+ 0 0 103 1,-0.3 3,-1.5 2,-0.2 4,-0.6 0.678 76.0 78.3 -61.1 -19.0 -5.9 9.1 -30.4 241 242 A K H X> S+ 0 0 43 -3,-2.0 4,-1.8 1,-0.3 3,-0.6 0.744 76.9 73.8 -63.9 -21.0 -2.8 10.2 -28.6 242 243 A I H <> S+ 0 0 0 -3,-2.1 4,-1.6 1,-0.3 -1,-0.3 0.812 86.6 63.2 -65.5 -27.3 -4.2 9.0 -25.4 243 244 A K H <4 S+ 0 0 101 -3,-1.5 4,-0.3 -4,-0.2 -1,-0.3 0.910 105.4 45.6 -59.3 -42.8 -3.5 5.4 -26.5 244 245 A E H X< S+ 0 0 116 -4,-0.6 3,-1.2 -3,-0.6 -2,-0.2 0.900 110.1 53.5 -66.2 -42.2 0.2 6.3 -26.5 245 246 A L H 3< S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.9 47.7 -66.4 -27.0 0.0 8.0 -23.1 246 247 A I T 3< 0 0 24 -4,-1.6 -201,-0.6 -5,-0.2 -1,-0.3 0.451 360.0 360.0 -93.3 -1.0 -1.6 4.9 -21.5 247 248 A E < 0 0 119 -3,-1.2 -1,-0.2 -4,-0.3 -203,-0.0 -0.742 360.0 360.0 94.7 360.0 0.9 2.5 -23.1