==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-AUG-11 3TC6 . COMPND 2 MOLECULE: INDOLE-3-GLYCEROL PHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.VOROBIEV,M.SU,S.BJELIC,Y.KIPNIS,L.WANG,J.SEETHARAMAN,S.SAH . 251 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 1 3 2 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 2 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 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 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 55 0, 0.0 135,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 19.3 8.2 35.1 60.6 2 3 A R - 0 0 69 133,-1.0 2,-0.6 1,-0.1 135,-0.1 -0.439 360.0 -79.1 -72.3 170.4 6.1 35.6 63.6 3 4 A Y S S+ 0 0 237 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 -0.657 71.5 163.8 -74.1 121.0 6.5 33.0 66.2 4 5 A L - 0 0 38 -2,-0.6 2,-0.3 2,-0.0 131,-0.0 -0.836 22.4-168.6-135.2 172.0 4.3 30.2 65.0 5 6 A K >> + 0 0 143 -2,-0.3 4,-1.3 0, 0.0 3,-0.7 -0.890 51.6 18.8-149.8 176.2 3.7 26.5 65.5 6 7 A G H 3> S- 0 0 54 -2,-0.3 4,-1.7 1,-0.2 3,-0.3 -0.136 120.6 -17.7 58.0-147.5 1.9 23.6 63.8 7 8 A W H 3> S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.808 135.3 57.4 -65.8 -31.2 0.8 23.8 60.2 8 9 A L H <> S+ 0 0 12 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.891 106.5 50.3 -67.5 -36.3 1.2 27.6 60.0 9 10 A E H X S+ 0 0 101 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.2 0.918 113.2 47.6 -64.9 -40.3 4.8 27.3 61.0 10 11 A D H X S+ 0 0 57 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.911 109.5 50.1 -67.8 -44.0 5.3 24.7 58.3 11 12 A V H X S+ 0 0 6 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.851 108.9 53.6 -66.8 -31.6 3.5 26.6 55.5 12 13 A V H X S+ 0 0 3 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.922 110.1 46.0 -68.2 -41.9 5.6 29.7 56.2 13 14 A Q H X S+ 0 0 83 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.887 113.1 50.6 -68.1 -38.9 8.9 27.8 56.0 14 15 A L H >< S+ 0 0 53 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.914 109.2 50.6 -61.5 -45.5 7.7 26.1 52.9 15 16 A S H >< S+ 0 0 3 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.833 99.0 65.1 -63.9 -33.0 6.8 29.4 51.3 16 17 A L H 3< S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.777 107.0 44.9 -60.1 -25.3 10.2 30.9 52.1 17 18 A R T << S+ 0 0 172 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.274 80.6 130.2-102.9 10.0 11.5 28.3 49.7 18 19 A R < - 0 0 15 -3,-1.8 2,-0.1 1,-0.1 -3,-0.1 -0.498 62.6-119.5 -68.6 121.2 8.9 28.8 46.9 19 20 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.389 25.5-126.5 -64.3 134.9 10.7 29.2 43.5 20 21 A S - 0 0 49 -2,-0.1 2,-0.3 1,-0.1 97,-0.1 -0.295 24.3-125.7 -75.0 164.8 10.1 32.6 41.8 21 22 A V - 0 0 28 95,-0.3 102,-0.1 2,-0.1 -1,-0.1 -0.755 13.2-153.1-114.8 161.4 8.9 32.7 38.2 22 23 A R + 0 0 202 -2,-0.3 -1,-0.0 2,-0.1 2,-0.0 -0.077 49.8 135.1-120.1 30.3 10.0 34.4 35.0 23 24 A A - 0 0 32 97,-0.1 2,-0.4 1,-0.0 101,-0.1 -0.358 51.4-125.7 -70.5 161.4 6.6 34.6 33.4 24 25 A S + 0 0 116 100,-0.1 2,-0.3 -2,-0.0 -2,-0.1 -0.921 30.3 171.4-119.4 143.7 5.9 37.9 31.8 25 26 A R + 0 0 21 -2,-0.4 99,-0.1 1,-0.1 100,-0.0 -0.993 14.2 156.8-148.0 139.7 3.0 40.4 32.3 26 27 A Q + 0 0 183 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.523 38.2 115.4-135.7 -21.9 2.4 43.9 31.1 27 28 A R S S- 0 0 90 1,-0.1 3,-0.1 3,-0.0 98,-0.1 -0.194 75.1 -89.5 -58.9 145.9 -1.4 44.6 31.0 28 29 A P - 0 0 110 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.078 43.4-103.3 -53.8 151.4 -2.8 47.2 33.4 29 30 A I - 0 0 43 122,-0.1 2,-0.7 -3,-0.1 98,-0.1 -0.592 26.3-146.1 -76.2 135.3 -3.8 46.2 36.9 30 31 A I - 0 0 66 -2,-0.3 76,-0.2 76,-0.1 2,-0.1 -0.925 24.7-127.2-100.9 101.1 -7.6 45.9 37.3 31 32 A S > - 0 0 37 -2,-0.7 4,-1.4 1,-0.1 5,-0.1 -0.300 20.3-166.8 -57.5 124.5 -8.3 47.1 40.9 32 33 A L H > S+ 0 0 2 2,-0.2 4,-1.7 122,-0.2 -1,-0.1 0.917 90.2 49.0 -76.6 -45.6 -10.3 44.7 42.9 33 34 A N H > S+ 0 0 17 121,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 111.6 50.6 -63.9 -33.6 -11.1 47.2 45.7 34 35 A E H > S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 108.5 50.4 -71.1 -39.5 -12.1 49.8 43.2 35 36 A R H X S+ 0 0 59 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.822 107.5 56.1 -67.7 -28.6 -14.5 47.4 41.4 36 37 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.941 108.1 46.3 -66.7 -45.9 -16.0 46.6 44.8 37 38 A L H X S+ 0 0 47 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.882 110.8 54.4 -62.6 -36.5 -16.8 50.2 45.4 38 39 A E H X S+ 0 0 79 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.937 108.4 48.2 -60.8 -48.1 -18.2 50.4 41.9 39 40 A F H <>S+ 0 0 10 -4,-2.4 5,-2.9 1,-0.2 3,-0.4 0.902 108.2 54.7 -60.2 -42.4 -20.5 47.5 42.6 40 41 A N H ><5S+ 0 0 23 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.920 108.9 48.3 -58.2 -43.6 -21.6 49.2 45.9 41 42 A K H 3<5S+ 0 0 172 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.736 112.3 47.8 -69.8 -22.6 -22.6 52.3 44.0 42 43 A R T 3<5S- 0 0 140 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.351 114.4-120.3 -95.7 2.7 -24.5 50.3 41.4 43 44 A N T < 5 + 0 0 142 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.869 64.9 143.7 58.3 41.1 -26.2 48.5 44.2 44 45 A I < - 0 0 54 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.951 57.9-113.9-112.1 124.0 -24.9 45.1 43.0 45 46 A T - 0 0 20 -2,-0.5 2,-0.8 201,-0.4 183,-0.1 -0.354 30.6-140.8 -56.9 127.9 -23.8 42.6 45.6 46 47 A A + 0 0 1 181,-0.4 183,-2.3 30,-0.1 2,-0.5 -0.838 25.3 176.2-101.1 107.8 -20.1 42.1 45.4 47 48 A I E -a 229 0A 0 -2,-0.8 30,-2.2 28,-0.3 31,-0.9 -0.944 19.6-154.1-116.1 125.8 -18.9 38.5 45.8 48 49 A I E -ab 230 78A 1 181,-2.9 183,-2.3 -2,-0.5 2,-0.3 -0.880 19.7-149.4 -95.9 119.1 -15.3 37.4 45.4 49 50 A A E -ab 231 79A 0 29,-2.1 31,-2.5 -2,-0.6 2,-0.3 -0.727 7.1-140.0 -93.1 141.2 -15.3 33.8 44.4 50 51 A E E - b 0 80A 13 181,-1.7 2,-0.6 -2,-0.3 31,-0.2 -0.771 7.1-156.9-102.5 143.4 -12.5 31.5 45.5 51 52 A Y E + b 0 81A 13 29,-2.6 31,-2.5 -2,-0.3 2,-0.3 -0.980 29.3 153.2-115.1 118.5 -10.8 28.8 43.5 52 53 A K - 0 0 11 -2,-0.6 9,-0.2 29,-0.2 37,-0.1 -0.923 37.1-156.0-150.1 121.8 -9.1 26.2 45.7 53 54 A R S S- 0 0 90 35,-0.6 8,-2.7 -2,-0.3 2,-0.3 0.820 82.1 -19.9 -63.8 -34.9 -8.4 22.6 44.9 54 55 A K - 0 0 79 34,-1.0 -1,-0.2 6,-0.2 5,-0.1 -0.965 61.5-171.7-163.0 172.8 -8.4 21.8 48.6 55 56 A S > - 0 0 9 3,-0.4 3,-1.8 -2,-0.3 33,-0.1 -0.969 42.7-102.3-167.5 159.2 -7.9 23.3 52.0 56 57 A P T 3 S+ 0 0 46 0, 0.0 32,-0.1 0, 0.0 -1,-0.0 0.765 121.5 51.5 -59.7 -23.9 -7.5 22.4 55.7 57 58 A S T 3 S+ 0 0 39 2,-0.1 2,-0.3 -3,-0.0 176,-0.0 0.119 116.2 22.3-101.6 19.3 -11.2 23.3 56.2 58 59 A G S < S- 0 0 36 -3,-1.8 -3,-0.4 175,-0.0 2,-0.3 -0.938 80.9 -77.2-163.9-173.2 -12.7 21.3 53.3 59 60 A L - 0 0 134 -2,-0.3 2,-0.2 -5,-0.1 -2,-0.1 -0.688 51.8 -96.2-100.4 153.2 -12.6 18.4 50.9 60 61 A D - 0 0 67 -2,-0.3 2,-0.5 -6,-0.1 -6,-0.2 -0.460 35.8-163.5 -69.7 134.9 -10.6 18.3 47.6 61 62 A V - 0 0 21 -8,-2.7 2,-0.9 -9,-0.2 -9,-0.0 -0.984 5.4-162.3-122.3 121.4 -12.6 19.3 44.5 62 63 A E + 0 0 115 -2,-0.5 2,-0.3 2,-0.0 -9,-0.0 -0.848 34.7 140.2-105.3 94.3 -11.2 18.4 41.1 63 64 A R - 0 0 64 -2,-0.9 -2,-0.1 0, 0.0 3,-0.0 -0.907 62.8 -86.2-128.7 162.6 -12.9 20.6 38.6 64 65 A D > - 0 0 78 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.555 35.6-157.3 -68.2 115.7 -11.8 22.5 35.5 65 66 A P H > S+ 0 0 31 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.823 89.1 51.5 -66.5 -34.5 -10.6 25.8 36.8 66 67 A I H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 109.6 49.4 -69.1 -43.6 -11.0 27.6 33.5 67 68 A E H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 114.0 47.7 -60.6 -40.7 -14.6 26.5 33.2 68 69 A Y H X S+ 0 0 6 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.943 112.1 47.9 -64.8 -50.6 -15.2 27.7 36.8 69 70 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.880 110.8 50.9 -60.2 -41.6 -13.5 31.0 36.3 70 71 A K H < S+ 0 0 108 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.861 109.9 50.0 -67.3 -35.3 -15.4 31.8 33.1 71 72 A F H >< S+ 0 0 34 -4,-1.6 3,-1.6 -5,-0.2 4,-0.4 0.952 110.9 49.8 -65.2 -47.5 -18.7 31.0 34.8 72 73 A M H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 3,-1.3 0.738 93.6 74.5 -63.3 -22.9 -17.8 33.3 37.7 73 74 A E T 3< S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.784 92.8 57.0 -60.9 -25.2 -16.9 36.1 35.2 74 75 A R T <4 S+ 0 0 154 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.714 126.9 9.6 -77.6 -23.2 -20.7 36.5 34.8 75 76 A Y T <4 S+ 0 0 38 -3,-1.3 -28,-0.3 -4,-0.4 -2,-0.2 0.736 100.2 89.2-126.6 -43.4 -21.3 37.1 38.5 76 77 A A < - 0 0 2 -4,-2.4 -28,-0.2 1,-0.1 3,-0.1 -0.270 59.1-143.2 -68.9 149.9 -18.3 37.7 40.7 77 78 A V S S- 0 0 0 -30,-2.2 2,-0.3 1,-0.3 -29,-0.2 0.707 84.3 -25.1 -81.3 -20.8 -16.8 41.0 41.4 78 79 A G E -b 48 0A 0 -31,-0.9 -29,-2.1 26,-0.1 2,-0.3 -0.976 64.3-110.8-174.5 175.6 -13.4 39.2 41.4 79 80 A L E -bc 49 106A 2 26,-2.5 28,-3.2 -2,-0.3 2,-0.5 -0.939 10.8-153.8-125.8 147.0 -11.7 35.9 42.0 80 81 A K E -bc 50 107A 20 -31,-2.5 -29,-2.6 -2,-0.3 2,-0.5 -0.992 15.4-162.1-120.2 121.1 -9.3 34.7 44.7 81 82 A I E -bc 51 108A 1 26,-2.7 28,-2.5 -2,-0.5 2,-0.6 -0.924 10.6-142.5-112.9 117.5 -7.0 31.9 43.5 82 83 A L E + c 0 109A 9 -31,-2.5 9,-0.5 -2,-0.5 -29,-0.3 -0.691 25.0 169.6 -81.9 118.6 -5.2 29.8 46.1 83 84 A T + 0 0 0 26,-2.6 27,-0.2 -2,-0.6 9,-0.2 0.407 32.4 123.4-108.7 -1.6 -1.7 29.0 44.9 84 85 A E - 0 0 4 25,-0.6 6,-3.1 1,-0.1 4,-0.4 -0.439 49.0-154.5 -63.6 130.8 -0.3 27.5 48.1 85 86 A E S > S+ 0 0 98 4,-0.3 4,-0.7 -2,-0.2 -1,-0.1 0.906 74.8 41.3 -77.6 -49.4 1.0 24.0 47.2 86 87 A K T 4 S+ 0 0 105 2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.915 126.6 23.1 -71.8 -46.8 1.0 21.7 50.3 87 88 A Y T 4 S+ 0 0 50 1,-0.1 -1,-0.1 -80,-0.1 -2,-0.1 0.649 135.3 32.2 -97.3 -18.8 -2.3 22.6 52.1 88 89 A F T 4 S- 0 0 18 -4,-0.4 -34,-1.0 -33,-0.1 -35,-0.6 0.339 93.5-132.0-117.3 4.2 -4.3 24.0 49.2 89 90 A N < + 0 0 58 -4,-0.7 -4,-0.3 -36,-0.2 -3,-0.1 0.804 54.3 156.9 46.9 38.0 -2.9 21.9 46.4 90 91 A G - 0 0 10 -6,-3.1 2,-0.3 -38,-0.1 -7,-0.2 -0.225 28.7-157.0 -88.9 177.2 -2.5 25.1 44.4 91 92 A S > - 0 0 41 -9,-0.5 4,-1.5 1,-0.1 3,-0.4 -0.983 27.4-136.0-157.3 142.0 -0.3 26.1 41.5 92 93 A Y H > S+ 0 0 15 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.809 108.8 60.4 -64.7 -29.9 1.2 29.2 39.9 93 94 A E H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.838 100.5 52.7 -68.6 -32.1 0.2 27.7 36.5 94 95 A T H > S+ 0 0 32 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.928 110.3 47.9 -68.8 -42.6 -3.5 27.6 37.4 95 96 A L H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.936 112.0 50.7 -60.5 -45.5 -3.3 31.3 38.4 96 97 A R H X S+ 0 0 82 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.910 111.7 46.1 -59.6 -48.0 -1.5 32.0 35.1 97 98 A K H < S+ 0 0 104 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.890 114.8 47.1 -65.1 -39.5 -4.1 30.2 32.9 98 99 A I H >X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 3,-1.4 0.930 110.2 51.9 -68.7 -44.5 -7.1 31.7 34.7 99 100 A A H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 109.5 51.4 -61.2 -31.1 -5.6 35.3 34.5 100 101 A S T 3< S+ 0 0 85 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.570 113.4 46.0 -81.5 -9.5 -5.1 34.8 30.8 101 102 A S T <4 S+ 0 0 47 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.670 107.7 48.2-107.4 -22.8 -8.7 33.6 30.3 102 103 A V < - 0 0 8 -4,-1.7 -32,-0.1 2,-0.1 -1,-0.1 -0.861 56.6-149.0-123.9 159.9 -10.9 36.1 32.3 103 104 A S + 0 0 98 -2,-0.3 -4,-0.1 2,-0.1 3,-0.1 0.124 65.3 97.7-112.2 19.3 -11.2 39.9 32.5 104 105 A I S S- 0 0 8 1,-0.1 -26,-0.1 -26,-0.0 -2,-0.1 -0.707 88.7 -76.1-102.3 159.9 -12.3 40.4 36.1 105 106 A P - 0 0 0 0, 0.0 -26,-2.5 0, 0.0 2,-0.4 -0.255 47.1-156.4 -56.4 138.0 -9.9 41.2 39.0 106 107 A I E -c 79 0A 0 -76,-0.2 21,-2.8 -28,-0.2 22,-1.4 -0.970 6.2-162.7-122.4 130.0 -7.8 38.4 40.3 107 108 A A E -cd 80 128A 2 -28,-3.2 -26,-2.7 -2,-0.4 2,-0.5 -0.948 14.2-140.9-113.4 126.6 -6.3 38.1 43.7 108 109 A M E -cd 81 129A 0 20,-2.5 22,-1.7 -2,-0.5 2,-0.4 -0.771 18.7-165.0 -86.1 128.4 -3.5 35.6 44.4 109 110 A S E +cd 82 130A 6 -28,-2.5 -26,-2.6 -2,-0.5 -25,-0.6 -0.963 30.2 118.8-118.7 128.9 -3.8 34.0 47.8 110 111 A D S S- 0 0 5 20,-0.6 2,-1.5 -2,-0.4 22,-0.2 -0.875 78.2 -70.3-163.8-173.7 -0.9 32.1 49.4 111 112 A A - 0 0 5 -2,-0.3 2,-0.7 -100,-0.1 20,-0.1 -0.707 60.2-165.3 -93.8 80.4 1.3 32.3 52.5 112 113 A I + 0 0 0 -2,-1.5 20,-0.3 18,-0.4 23,-0.1 -0.610 32.3 142.3 -76.0 113.7 3.0 35.4 51.2 113 114 A V + 0 0 12 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.423 56.9 49.1-129.6 -7.5 6.2 36.0 53.2 114 115 A K S >> S- 0 0 52 -99,-0.1 3,-1.5 1,-0.1 4,-0.6 -0.982 77.6-118.4-138.7 151.6 8.7 37.3 50.7 115 116 A E H >> S+ 0 0 82 -2,-0.3 4,-1.9 1,-0.3 3,-0.9 0.781 107.3 66.7 -57.7 -31.8 8.8 39.9 48.0 116 117 A S H 3> S+ 0 0 29 1,-0.3 4,-2.7 2,-0.2 -95,-0.3 0.792 94.1 60.5 -63.6 -24.3 9.5 37.5 45.1 117 118 A Q H <> S+ 0 0 0 -3,-1.5 4,-2.2 2,-0.2 -1,-0.3 0.834 104.6 48.6 -70.2 -30.7 6.0 36.1 45.7 118 119 A I H S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.931 114.7 43.3 -57.3 -46.7 1.7 37.4 41.4 122 123 A Y H ><5S+ 0 0 48 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.952 114.3 49.3 -64.0 -48.9 2.3 40.3 39.1 123 124 A N H 3<5S+ 0 0 37 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 110.7 51.7 -62.5 -26.4 4.2 38.3 36.5 124 125 A L H 3<5S- 0 0 4 -4,-2.0 -1,-0.3 -5,-0.2 -25,-0.2 0.526 124.5 -96.3 -89.9 -7.8 1.5 35.6 36.5 125 126 A G T <<5S+ 0 0 1 -3,-1.2 -3,-0.2 -4,-0.6 -19,-0.2 0.489 70.6 146.3 109.5 3.0 -1.4 38.0 35.9 126 127 A A < - 0 0 0 -5,-2.6 -1,-0.3 -6,-0.2 -19,-0.2 -0.429 40.2-151.1 -73.6 149.5 -2.8 38.7 39.3 127 128 A D S S- 0 0 2 -21,-2.8 27,-0.3 1,-0.2 2,-0.3 0.628 76.0 -9.6 -93.0 -17.5 -4.3 42.2 40.0 128 129 A T E -d 107 0A 2 -22,-1.4 -20,-2.5 25,-0.1 2,-0.3 -0.960 65.6-121.1-164.9 176.5 -3.5 42.0 43.7 129 130 A V E -d 108 0A 0 -2,-0.3 27,-2.5 -22,-0.2 2,-0.6 -0.865 17.4-126.2-127.8 161.4 -2.3 39.8 46.5 130 131 A V E -de 109 156A 2 -22,-1.7 -20,-0.6 -2,-0.3 2,-0.5 -0.953 22.9-160.3-111.9 119.3 -3.8 38.7 49.8 131 132 A L E - e 0 157A 0 25,-2.5 27,-2.9 -2,-0.6 2,-0.7 -0.881 7.4-146.9-102.9 129.4 -1.5 39.3 52.8 132 133 A I E >> - e 0 158A 44 -2,-0.5 3,-1.2 -20,-0.3 4,-0.5 -0.842 6.5-165.6 -99.3 110.1 -2.2 37.3 56.0 133 134 A V G >4 S+ 0 0 0 25,-2.0 3,-1.3 -2,-0.7 -1,-0.2 0.852 81.6 70.8 -61.2 -36.7 -1.4 39.3 59.2 134 135 A K G 34 S+ 0 0 29 24,-0.5 -1,-0.2 1,-0.3 25,-0.1 0.726 106.6 36.9 -54.4 -26.3 -1.5 36.3 61.4 135 136 A I G <4 S+ 0 0 4 -3,-1.2 -133,-1.0 -23,-0.1 2,-0.3 0.483 107.9 75.6-107.3 -2.2 1.7 34.9 59.9 136 137 A L S << S- 0 0 1 -3,-1.3 2,-0.1 -4,-0.5 -23,-0.0 -0.831 72.1-126.7-115.1 149.8 3.7 38.2 59.4 137 138 A T > - 0 0 44 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.455 37.6-106.2 -80.6 162.3 5.5 40.6 61.7 138 139 A E H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 121.1 52.6 -56.8 -41.2 4.5 44.2 61.5 139 140 A R H > S+ 0 0 218 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.9 44.9 -63.1 -43.8 7.7 45.0 59.7 140 141 A E H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 112.4 52.5 -67.4 -41.8 7.2 42.3 57.0 141 142 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.933 112.1 44.2 -60.0 -47.6 3.6 43.3 56.5 142 143 A E H X S+ 0 0 67 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.899 114.4 50.4 -65.7 -39.5 4.3 47.0 55.9 143 144 A S H X S+ 0 0 48 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.913 112.2 46.2 -64.8 -43.8 7.3 46.1 53.7 144 145 A L H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.872 112.9 50.9 -67.3 -36.4 5.2 43.8 51.5 145 146 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.928 111.7 46.6 -65.4 -45.5 2.4 46.3 51.4 146 147 A E H X S+ 0 0 122 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.901 114.2 49.2 -63.0 -40.6 4.7 49.1 50.3 147 148 A Y H >X S+ 0 0 57 -4,-2.4 4,-0.6 2,-0.2 3,-0.6 0.932 110.0 49.4 -65.3 -47.0 6.3 46.7 47.7 148 149 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.3 3,-1.4 0.894 107.7 55.6 -60.2 -40.2 2.9 45.6 46.3 149 150 A R H ><5S+ 0 0 88 -4,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.803 95.4 65.3 -64.6 -27.3 1.9 49.2 46.0 150 151 A S H <<5S+ 0 0 92 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.737 102.1 50.2 -67.4 -19.0 4.9 49.9 43.9 151 152 A Y T <<5S- 0 0 65 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.506 126.8-104.4 -91.1 -9.3 3.4 47.6 41.3 152 153 A G T < 5S+ 0 0 54 -3,-1.2 2,-0.3 -4,-0.4 -3,-0.2 0.597 78.9 134.0 94.6 13.5 0.1 49.5 41.5 153 154 A M < - 0 0 2 -5,-2.1 -1,-0.3 -6,-0.1 -25,-0.1 -0.702 47.3-152.7 -98.3 150.1 -1.6 46.8 43.6 154 155 A E - 0 0 27 -27,-0.3 -121,-0.2 -2,-0.3 -122,-0.2 -0.916 27.0-140.6-119.9 98.9 -3.7 47.4 46.7 155 156 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 20,-0.3 -0.174 10.8-122.0 -59.7 149.0 -3.4 44.1 48.8 156 157 A L E -e 130 0A 1 -27,-2.5 -25,-2.5 18,-0.1 2,-0.7 -0.876 30.3-153.7 -91.7 114.9 -6.3 42.6 50.6 157 158 A I E -ef 131 176A 0 18,-2.8 20,-2.4 -2,-0.8 2,-0.4 -0.865 8.8-151.3 -98.7 114.5 -4.9 42.5 54.2 158 159 A V E +ef 132 177A 12 -27,-2.9 -25,-2.0 -2,-0.7 -24,-0.5 -0.748 20.2 168.5 -96.0 128.4 -6.6 39.8 56.2 159 160 A I E - f 0 178A 2 18,-2.6 20,-3.0 -2,-0.4 3,-0.1 -0.884 21.0-177.9-131.3 159.1 -7.1 39.9 60.0 160 161 A N + 0 0 18 -2,-0.3 2,-0.3 18,-0.2 36,-0.1 0.288 68.3 43.1-140.1 7.4 -9.1 37.8 62.5 161 162 A D S > S- 0 0 53 1,-0.1 4,-1.9 35,-0.0 -1,-0.1 -0.941 82.2-104.9-151.2 169.8 -8.5 39.5 65.8 162 163 A E H > S+ 0 0 89 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.892 114.7 49.5 -68.2 -43.4 -8.2 42.9 67.4 163 164 A N H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.929 113.5 47.5 -64.1 -39.3 -4.5 43.2 67.8 164 165 A D H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.854 109.6 54.3 -70.6 -32.3 -4.0 42.1 64.2 165 166 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.927 107.2 50.4 -62.7 -46.6 -6.6 44.6 63.1 166 167 A D H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.899 109.3 51.1 -58.5 -41.0 -4.8 47.4 64.9 167 168 A I H X S+ 0 0 13 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.911 108.8 52.0 -62.0 -40.7 -1.6 46.4 63.2 168 169 A A H <>S+ 0 0 0 -4,-2.0 5,-2.4 1,-0.2 -2,-0.2 0.914 113.9 42.6 -62.7 -45.0 -3.3 46.4 59.8 169 170 A L H ><5S+ 0 0 54 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.898 110.4 57.8 -66.3 -40.5 -4.7 49.9 60.4 170 171 A R H 3<5S+ 0 0 119 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 105.5 49.2 -61.9 -31.2 -1.4 51.0 61.8 171 172 A I T 3<5S- 0 0 17 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.337 124.0-100.6 -93.5 10.8 0.5 50.1 58.7 172 173 A G T < 5 + 0 0 34 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.736 53.9 175.8 82.9 27.1 -2.0 52.0 56.5 173 174 A A < + 0 0 7 -5,-2.4 -1,-0.2 -6,-0.1 3,-0.1 -0.390 12.1 176.3 -64.4 139.9 -4.2 49.2 55.1 174 175 A R S S+ 0 0 166 -19,-0.3 31,-2.5 1,-0.2 2,-0.4 0.415 72.0 52.0-120.9 -6.8 -7.0 50.5 52.9 175 176 A F E S+ g 0 205A 0 -20,-0.3 -18,-2.8 29,-0.2 2,-0.4 -0.914 73.9 178.8-136.6 101.2 -8.5 47.1 51.9 176 177 A I E -fg 157 206A 0 29,-2.0 31,-2.7 -2,-0.4 2,-0.5 -0.900 20.0-155.1-116.8 136.8 -9.1 44.8 54.8 177 178 A G E -fg 158 207A 0 -20,-2.4 -18,-2.6 -2,-0.4 2,-0.8 -0.901 11.2-151.1-105.8 129.6 -10.6 41.3 55.0 178 179 A I E -fg 159 208A 0 29,-3.1 31,-2.6 -2,-0.5 2,-0.3 -0.887 14.8-151.6-105.5 107.5 -12.2 40.2 58.2 179 180 A E E - g 0 209A 11 -20,-3.0 31,-0.2 -2,-0.8 29,-0.0 -0.553 20.3-170.6 -78.9 135.0 -11.9 36.5 58.8 180 181 A S S S+ 0 0 4 29,-2.0 9,-2.6 -2,-0.3 2,-0.5 0.560 74.5 78.8 -95.7 -12.0 -14.5 34.6 60.7 181 182 A R B S-I 188 0B 37 28,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.849 72.6-146.9-102.6 127.9 -12.1 31.6 60.6 182 183 A D >> - 0 0 40 5,-2.5 4,-3.5 -2,-0.5 3,-0.5 -0.827 12.7-156.5 -87.6 107.8 -9.1 31.3 62.9 183 184 A W T 34 S+ 0 0 39 -2,-0.9 -1,-0.1 1,-0.2 -175,-0.0 0.659 88.0 60.2 -64.7 -12.8 -6.7 29.4 60.5 184 185 A E T 34 S+ 0 0 93 1,-0.1 -1,-0.2 3,-0.1 -177,-0.2 0.898 125.9 14.1 -78.3 -41.1 -4.7 28.1 63.5 185 186 A T T <4 S- 0 0 65 -3,-0.5 -2,-0.2 2,-0.2 3,-0.1 0.556 92.9-133.0-108.6 -15.7 -7.7 26.2 65.0 186 187 A L < + 0 0 64 -4,-3.5 2,-0.2 1,-0.3 -3,-0.2 0.527 57.5 143.0 70.7 7.9 -10.1 26.3 62.0 187 188 A E - 0 0 142 -5,-0.4 -5,-2.5 -6,-0.1 2,-0.4 -0.511 44.9-136.1 -79.1 149.0 -12.9 27.4 64.4 188 189 A I B +I 181 0B 75 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.867 21.5 178.5-106.1 136.8 -15.4 30.0 63.1 189 190 A N > + 0 0 83 -9,-2.6 4,-1.7 -2,-0.4 -2,-0.0 -0.792 7.9 174.0-141.0 97.6 -16.6 32.9 65.2 190 191 A K H > S+ 0 0 80 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.774 80.3 60.4 -73.8 -27.7 -19.1 35.2 63.6 191 192 A E H > S+ 0 0 165 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 107.8 46.2 -64.8 -42.6 -19.7 37.3 66.7 192 193 A N H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.915 110.2 54.7 -63.9 -43.2 -15.9 38.2 66.7 193 194 A Q H X S+ 0 0 5 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.930 110.1 45.0 -57.0 -47.8 -16.1 38.9 63.0 194 195 A R H X S+ 0 0 82 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.875 110.7 54.2 -66.8 -35.8 -18.9 41.4 63.4 195 196 A K H < S+ 0 0 90 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.942 110.6 46.8 -61.8 -46.2 -17.2 43.0 66.4 196 197 A L H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 4,-0.3 0.910 108.8 54.7 -61.6 -43.7 -14.1 43.6 64.3 197 198 A I H >< S+ 0 0 5 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.884 103.7 56.5 -57.4 -39.1 -16.2 45.0 61.4 198 199 A S T 3< S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.624 103.5 56.1 -69.9 -9.1 -17.7 47.5 63.7 199 200 A M T < S+ 0 0 93 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.399 84.9 98.9-102.6 -5.2 -14.4 48.8 64.6 200 201 A I S < S- 0 0 16 -3,-1.3 6,-0.1 -4,-0.3 -35,-0.0 -0.722 80.2-103.4 -91.9 135.3 -13.1 49.6 61.1 201 202 A P > - 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0 0 0 -5,-2.3 -1,-0.3 1,-0.1 -19,-0.2 -0.459 25.9-169.6 -67.5 132.7 -19.3 45.4 54.7 227 228 A N + 0 0 19 -21,-2.0 -181,-0.4 1,-0.2 2,-0.3 0.804 63.3 7.7 -92.8 -34.5 -18.4 46.1 51.1 228 229 A A E - h 0 207A 0 -22,-2.0 -20,-2.4 -183,-0.1 2,-0.4 -0.944 61.9-133.1-146.1 167.1 -17.8 42.7 49.6 229 230 A F E -ah 47 208A 1 -183,-2.3 -181,-2.9 -2,-0.3 2,-0.7 -0.984 7.4-149.6-131.8 127.9 -18.0 39.0 50.5 230 231 A L E +ah 48 209A 1 -22,-2.7 -20,-1.5 -2,-0.4 2,-0.4 -0.849 23.6 175.6 -97.7 113.6 -15.4 36.3 50.0 231 232 A I E +a 49 0A 5 -183,-2.3 -181,-1.7 -2,-0.7 -18,-0.1 -0.977 9.8 151.5-122.9 126.8 -17.1 32.9 49.4 232 233 A G >> + 0 0 8 -2,-0.4 4,-2.3 -183,-0.2 3,-0.9 0.693 59.9 36.4-115.3 -85.5 -15.1 29.8 48.6 233 234 A S H 3> S+ 0 0 44 1,-0.3 4,-1.7 2,-0.2 5,-0.3 0.814 113.0 55.5 -45.4 -46.7 -16.1 26.2 49.4 234 235 A S H 3> S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.902 115.6 39.8 -57.5 -40.1 -19.9 26.6 48.9 235 236 A L H <4 S+ 0 0 0 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.814 108.1 60.3 -79.0 -32.9 -19.2 27.9 45.3 236 237 A M H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 116.1 35.9 -64.2 -28.1 -16.4 25.4 44.6 237 238 A R H < S+ 0 0 134 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.851 137.4 16.7 -91.7 -39.4 -18.9 22.6 45.1 238 239 A N >< - 0 0 94 -4,-2.1 3,-2.1 -5,-0.3 4,-0.2 -0.706 65.4-177.5-137.9 83.9 -22.0 24.3 43.6 239 240 A P T > S+ 0 0 25 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.823 78.7 64.7 -47.7 -42.0 -21.1 27.4 41.5 240 241 A E T >> S+ 0 0 121 1,-0.3 3,-1.2 2,-0.2 4,-0.6 0.560 77.3 84.7 -67.1 -5.3 -24.7 28.3 40.8 241 242 A K H <> S+ 0 0 115 -3,-2.1 4,-1.3 1,-0.3 -1,-0.3 0.744 78.5 70.7 -66.7 -17.9 -25.3 29.1 44.4 242 243 A I H <> S+ 0 0 0 -3,-1.9 4,-1.3 -4,-0.2 -1,-0.3 0.795 85.3 65.8 -69.8 -25.2 -23.9 32.5 43.6 243 244 A K H X> S+ 0 0 62 -3,-1.2 4,-3.0 1,-0.2 3,-0.6 0.945 103.3 44.3 -60.2 -49.8 -27.0 33.4 41.5 244 245 A E H 3X S+ 0 0 43 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.881 108.7 58.5 -61.6 -40.4 -29.3 33.4 44.6 245 246 A L H 3< S+ 0 0 9 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 118.3 30.4 -62.4 -27.7 -26.7 35.4 46.6 246 247 A I H << S+ 0 0 30 -4,-1.3 -201,-0.4 -3,-0.6 -2,-0.2 0.818 132.6 28.4 -99.3 -39.8 -26.7 38.2 44.1 247 248 A E H < S- 0 0 130 -4,-3.0 -3,-0.2 1,-0.3 -2,-0.2 0.584 98.5-129.3-100.8 -13.5 -30.3 38.2 42.7 248 249 A G < - 0 0 25 -4,-2.2 2,-0.3 -5,-0.4 -1,-0.3 -0.344 32.2 -78.3 87.9-177.2 -32.3 36.8 45.6 249 250 A S - 0 0 94 -2,-0.1 -5,-0.0 -4,-0.1 0, 0.0 -0.891 7.2-137.7-127.2 156.6 -34.7 33.9 45.1 250 251 A L 0 0 185 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.413 360.0 360.0 -84.4 1.8 -38.2 33.3 43.8 251 252 A E 0 0 131 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.861 360.0 360.0 93.7 360.0 -38.4 31.1 46.9