==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-SEP-11 3TQI . COMPND 2 MOLECULE: GMP SYNTHASE [GLUTAMINE-HYDROLYZING]; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR M.C.FRANKLIN,J.CHEUNG,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN . 1856 24 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 80983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1216 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 180 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 7 0.4 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 . 127 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 479 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.1 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 4 7 0 1 0 8 7 5 0 2 5 4 3 0 6 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 12 12 4 4 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 . 13 7 9 1 0 0 4 4 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 . 3 0 0 4 0 0 0 0 2 4 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 5 A I 0 0 83 0, 0.0 191,-0.0 0, 0.0 196,-0.0 0.000 360.0 360.0 360.0-178.3 14.5 66.2 120.4 2 6 A H + 0 0 48 2,-0.2 190,-0.0 1,-0.1 26,-0.0 0.205 360.0 111.8 66.7 -13.1 17.8 65.2 118.6 3 7 A Q + 0 0 132 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.689 66.3 57.3 -75.0 -21.8 18.4 63.0 121.7 4 8 A H S S+ 0 0 57 185,-0.1 25,-0.9 43,-0.0 2,-0.3 -0.963 77.9 158.5-106.0 121.8 17.9 59.8 119.8 5 9 A R E -a 29 0A 40 -2,-0.5 43,-3.0 41,-0.2 44,-0.6 -0.999 33.8-147.1-152.2 145.1 20.4 59.6 116.9 6 10 A I E -ab 30 49A 0 23,-2.1 25,-1.4 -2,-0.3 2,-0.5 -0.911 15.8-143.0-111.8 136.2 22.2 57.2 114.5 7 11 A L E -ab 31 50A 0 42,-2.4 44,-2.2 -2,-0.4 2,-0.5 -0.887 13.4-165.0 -98.7 128.4 25.7 57.8 113.1 8 12 A I E -ab 32 51A 0 23,-2.5 25,-2.1 -2,-0.5 2,-0.4 -0.965 8.1-150.3-112.8 120.3 26.3 56.7 109.5 9 13 A L E -ab 33 52A 2 42,-2.3 44,-1.1 -2,-0.5 2,-0.6 -0.775 12.8-138.3 -89.7 136.0 29.9 56.4 108.4 10 14 A D E +a 34 0A 48 23,-2.2 25,-1.7 -2,-0.4 26,-0.2 -0.855 26.5 172.8-100.2 114.4 30.5 57.1 104.7 11 15 A F - 0 0 25 -2,-0.6 2,-0.5 23,-0.1 -1,-0.1 0.111 65.3 -86.1-102.6 19.4 32.9 54.8 102.8 12 16 A G S S+ 0 0 35 1,-0.2 4,-0.4 43,-0.2 42,-0.1 -0.974 76.3 132.0 123.3-123.3 32.1 56.3 99.4 13 17 A S > - 0 0 17 -2,-0.5 3,-2.0 2,-0.1 4,-0.3 0.855 64.4-112.0 53.9 120.4 29.1 54.9 97.5 14 18 A Q T 3 S+ 0 0 139 1,-0.3 3,-0.3 41,-0.1 -1,-0.1 0.836 113.7 58.8 -41.4 -41.0 26.2 56.7 95.8 15 19 A Y T 3> S+ 0 0 73 1,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.189 70.9 96.0 -92.6 15.8 23.9 55.3 98.5 16 20 A A H X> S+ 0 0 3 -3,-2.0 3,-2.1 -4,-0.4 4,-1.5 0.999 86.6 52.5 -64.6 -66.8 25.4 56.7 101.7 17 21 A Q H 34 S+ 0 0 74 -3,-0.3 -1,-0.0 -4,-0.3 15,-0.0 -0.646 107.5 50.7 -56.0 121.6 23.0 59.6 101.6 18 22 A L H 3> S+ 0 0 20 -2,-0.5 4,-1.7 150,-0.0 -1,-0.2 -0.230 99.2 62.8 124.1 -40.6 19.9 57.4 101.3 19 23 A I H S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 108.2 50.5 -63.5 -42.1 17.3 59.3 104.3 22 26 A R H X S+ 0 0 46 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.876 110.5 51.3 -59.6 -39.5 15.7 56.0 105.0 23 27 A V H X>S+ 0 0 0 -4,-2.0 5,-1.8 1,-0.2 4,-0.7 0.877 109.4 49.1 -66.7 -39.0 16.7 56.5 108.7 24 28 A R H <5S+ 0 0 11 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.834 108.1 55.2 -67.8 -31.9 15.1 59.9 108.8 25 29 A E H <5S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.849 101.1 57.5 -69.5 -34.5 11.9 58.4 107.2 26 30 A I H <5S- 0 0 39 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.742 126.5-103.9 -66.1 -25.2 11.7 55.9 110.0 27 31 A G T <5S+ 0 0 9 -4,-0.7 165,-3.1 -3,-0.3 164,-1.2 0.617 81.7 113.8 112.6 20.5 11.6 59.0 112.3 28 32 A V < - 0 0 2 -5,-1.8 -1,-0.3 162,-0.2 -2,-0.2 -0.964 62.7-117.4-126.7 137.9 15.1 59.1 113.8 29 33 A Y E +a 5 0A 6 -25,-0.9 -23,-2.1 -2,-0.4 2,-0.3 -0.355 37.7 170.2 -68.0 145.8 17.8 61.8 113.5 30 34 A C E -a 6 0A 0 -25,-0.2 2,-0.3 -2,-0.1 -23,-0.2 -0.987 22.4-148.4-153.1 153.5 21.1 60.8 111.9 31 35 A E E -a 7 0A 51 -25,-1.4 -23,-2.5 -2,-0.3 2,-0.6 -0.903 13.6-139.3-119.6 153.4 24.3 62.4 110.7 32 36 A L E +a 8 0A 12 -2,-0.3 -23,-0.2 -25,-0.2 -25,-0.1 -0.936 27.1 177.5-115.9 107.0 26.5 61.2 107.8 33 37 A M E -a 9 0A 22 -25,-2.1 -23,-2.2 -2,-0.6 -2,-0.0 -0.867 33.2-106.4-112.5 143.5 30.2 61.6 108.6 34 38 A P E > -a 10 0A 66 0, 0.0 3,-1.7 0, 0.0 -23,-0.1 -0.318 28.5-121.5 -64.8 151.4 33.2 60.6 106.5 35 39 A C T 3 S+ 0 0 40 -25,-1.7 -24,-0.1 1,-0.3 -26,-0.0 0.690 108.5 68.5 -70.8 -19.6 35.1 57.5 107.7 36 40 A D T 3 S+ 0 0 136 -26,-0.2 -1,-0.3 2,-0.0 -25,-0.0 0.449 77.7 115.4 -76.3 0.4 38.4 59.4 108.0 37 41 A I < - 0 0 46 -3,-1.7 2,-0.2 1,-0.1 4,-0.1 -0.274 65.5-116.2 -68.2 160.9 36.7 61.4 110.9 38 42 A D - 0 0 101 2,-0.2 5,-0.2 1,-0.1 2,-0.2 -0.548 21.9 -95.4-104.2 158.6 38.3 60.9 114.4 39 43 A E S S+ 0 0 98 -2,-0.2 3,-0.2 3,-0.1 -1,-0.1 -0.547 108.9 60.6 -65.6 143.1 37.2 59.5 117.7 40 44 A E S S+ 0 0 133 1,-0.7 -2,-0.2 -2,-0.2 2,-0.1 0.639 102.3 52.8 76.5 110.4 36.0 62.6 119.6 41 45 A T S S+ 0 0 52 -4,-0.1 2,-1.4 0, 0.0 -1,-0.7 0.294 114.2 39.4 71.8 132.5 33.3 63.4 117.2 42 46 A I S > S+ 0 0 7 -3,-0.2 4,-1.0 1,-0.2 -3,-0.1 -0.370 119.2 51.2 80.8 -54.9 31.7 60.0 117.3 43 47 A R T 4 S+ 0 0 120 -2,-1.4 -1,-0.2 -5,-0.2 -4,-0.1 0.931 115.3 39.4 -70.3 -49.0 32.4 60.0 121.0 44 48 A D T 4 S+ 0 0 122 1,-0.2 -1,-0.1 2,-0.1 -5,-0.0 0.727 113.5 55.5 -77.4 -21.3 30.8 63.4 121.5 45 49 A F T 4 S- 0 0 21 2,-0.0 -1,-0.2 -40,-0.0 -2,-0.2 0.798 87.8-170.3 -72.3 -33.1 28.0 62.5 119.0 46 50 A N < - 0 0 96 -4,-1.0 -41,-0.2 1,-0.1 -3,-0.1 0.863 14.1-157.4 46.3 59.0 27.4 59.4 121.3 47 51 A P - 0 0 8 0, 0.0 -41,-0.2 0, 0.0 21,-0.2 -0.124 28.1-132.4 -71.5 160.4 25.1 57.6 118.9 48 52 A H S S- 0 0 56 -43,-3.0 2,-0.3 1,-0.3 -42,-0.2 0.699 92.4 -6.0 -77.3 -25.7 22.4 55.0 119.7 49 53 A G E -b 6 0A 0 -44,-0.6 -42,-2.4 19,-0.2 2,-0.4 -0.957 64.4-134.8-166.9 154.9 23.8 53.0 116.8 50 54 A I E -bc 7 70A 0 19,-2.4 21,-2.0 -2,-0.3 2,-0.4 -0.895 11.2-162.2-115.9 142.0 26.3 53.1 113.9 51 55 A I E -bc 8 71A 0 -44,-2.2 -42,-2.3 -2,-0.4 2,-0.4 -0.990 6.4-155.7-124.2 122.8 25.9 52.1 110.3 52 56 A L E +bc 9 72A 0 19,-2.5 21,-2.4 -2,-0.4 -42,-0.1 -0.793 26.4 175.5 -94.6 138.8 28.8 51.4 108.1 53 57 A S + 0 0 0 -44,-1.1 23,-0.3 -2,-0.4 -40,-0.1 -0.389 19.4 2.4-115.2-174.5 28.1 51.9 104.4 54 58 A G - 0 0 2 21,-0.2 21,-1.3 -2,-0.1 22,-0.2 0.183 27.0-156.0 75.7-136.9 29.3 51.9 101.0 55 59 A G - 0 0 16 20,-0.1 -43,-0.2 19,-0.1 -41,-0.1 0.366 45.8-105.7 85.1 126.0 32.5 51.4 99.1 56 60 A P 0 0 88 0, 0.0 19,-0.1 0, 0.0 -44,-0.0 0.141 360.0 360.0 -74.3-167.7 32.3 53.2 95.8 57 61 A E 0 0 206 0, 0.0 -45,-0.0 0, 0.0 -2,-0.0 0.306 360.0 360.0 66.1 360.0 31.9 52.0 92.2 58 ! 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 59 71 A A 0 0 82 0, 0.0 21,-0.0 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 121.4 39.1 51.1 108.5 60 72 A P - 0 0 14 0, 0.0 2,-0.8 0, 0.0 3,-0.1 0.711 360.0-166.7 -96.6 -33.3 36.9 52.9 111.1 61 73 A A + 0 0 63 1,-0.2 3,-0.4 2,-0.1 4,-0.0 -0.712 55.5 27.1 104.8 -97.4 38.7 51.7 114.3 62 74 A F S >> S+ 0 0 25 -2,-0.8 3,-2.3 1,-0.2 4,-1.0 0.418 82.1 103.9 -96.2 0.3 37.3 52.0 117.8 63 75 A I T 34 S+ 0 0 0 1,-0.3 -1,-0.2 2,-0.2 -13,-0.1 0.519 74.9 63.1 -66.1 -5.3 33.6 52.1 117.2 64 76 A F T 34 S+ 0 0 20 -3,-0.4 -1,-0.3 1,-0.1 -2,-0.1 0.556 97.2 57.8 -92.6 -13.1 33.3 48.4 118.4 65 77 A E T <4 S+ 0 0 152 -3,-2.3 -2,-0.2 -4,-0.0 -1,-0.1 0.878 86.9 87.1 -78.8 -43.9 34.5 49.5 121.9 66 78 A I S < S- 0 0 38 -4,-1.0 -23,-0.0 1,-0.1 0, 0.0 -0.302 92.2-116.8 -59.0 141.2 31.6 52.0 122.3 67 79 A G S S+ 0 0 60 -18,-0.0 -1,-0.1 2,-0.0 -19,-0.0 0.683 79.5 101.2 -56.4 -23.8 28.6 50.2 123.8 68 80 A C S S- 0 0 13 -21,-0.2 -19,-0.2 1,-0.1 2,-0.1 -0.039 75.7 -99.3 -71.6 163.7 26.2 50.7 120.8 69 81 A P - 0 0 2 0, 0.0 -19,-2.4 0, 0.0 2,-0.4 -0.449 33.2-151.7 -78.2 156.0 25.2 48.3 118.0 70 82 A V E -cd 50 159A 0 88,-1.7 90,-2.7 -21,-0.2 2,-0.5 -0.983 9.6-164.5-133.9 139.7 26.7 48.4 114.5 71 83 A L E -cd 51 160A 0 -21,-2.0 -19,-2.5 -2,-0.4 2,-0.5 -0.965 8.5-160.2-125.7 113.5 25.4 47.5 111.1 72 84 A G E -cd 52 161A 0 88,-3.2 90,-2.1 -2,-0.5 2,-0.5 -0.808 4.4-158.6 -93.3 128.8 27.9 47.1 108.2 73 85 A I E > - d 0 162A 0 -21,-2.4 3,-2.4 -2,-0.5 2,-0.2 -0.945 57.5 -51.1-109.4 122.5 26.5 47.3 104.6 74 86 A C T >> S+ 0 0 0 88,-2.5 3,-1.5 -2,-0.5 4,-1.4 -0.336 141.9 17.6 54.2-113.8 28.5 45.7 101.8 75 87 A Y H 3> S+ 0 0 71 -21,-1.3 4,-2.3 1,-0.3 5,-0.4 0.892 123.7 64.7 -51.1 -38.3 32.0 47.0 102.2 76 88 A G H <> S+ 0 0 0 -3,-2.4 4,-1.5 -23,-0.3 -1,-0.3 0.856 101.6 48.5 -50.8 -39.3 30.9 48.0 105.7 77 89 A M H <> S+ 0 0 0 -3,-1.5 4,-1.9 85,-0.4 -1,-0.3 0.857 108.3 55.4 -67.4 -38.9 30.6 44.3 106.4 78 90 A Q H X S+ 0 0 20 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.959 111.4 40.1 -59.7 -56.4 34.0 43.6 104.9 79 91 A T H X S+ 0 0 9 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.847 110.9 58.9 -65.5 -35.7 36.0 46.0 107.2 80 92 A M H X S+ 0 0 0 -4,-1.5 4,-0.8 -5,-0.4 -1,-0.2 0.905 111.8 43.0 -54.9 -42.2 33.8 44.9 110.1 81 93 A A H >< S+ 0 0 0 -4,-1.9 3,-1.2 2,-0.2 -2,-0.2 0.991 116.1 45.4 -66.2 -61.9 35.1 41.4 109.4 82 94 A Y H 3< S+ 0 0 155 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.916 111.9 52.1 -44.6 -54.4 38.8 42.4 108.8 83 95 A Q H 3< S+ 0 0 72 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.643 117.7 39.1 -71.1 -16.2 38.9 44.7 111.9 84 96 A L S << S- 0 0 32 -3,-1.2 -3,-0.0 -4,-0.8 -20,-0.0 -0.264 121.0 -63.4-101.3-159.9 37.6 41.9 114.1 85 97 A G S S+ 0 0 32 51,-0.2 -1,-0.4 -2,-0.2 48,-0.1 -0.064 90.6 67.6 -72.1-173.9 38.9 38.3 113.4 86 98 A G S S- 0 0 27 48,-0.2 48,-0.2 -3,-0.1 2,-0.2 0.232 71.7 -84.9 88.2 157.2 38.3 36.5 110.1 87 99 A K + 0 0 127 46,-0.3 46,-1.2 47,-0.1 45,-0.8 -0.497 35.2 176.8-108.0 168.2 39.2 36.8 106.5 88 100 A V B K 131 0B 32 43,-0.3 43,-0.2 44,-0.2 41,-0.1 -0.891 360.0 360.0-160.8 173.1 37.9 38.7 103.4 89 101 A N 0 0 143 41,-1.8 42,-0.1 -2,-0.3 40,-0.1 0.634 360.0 360.0-129.0 360.0 38.5 39.5 99.7 90 ! 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 91 107 A E 0 0 156 0, 0.0 36,-1.7 0, 0.0 37,-0.7 0.000 360.0 360.0 360.0 92.4 29.8 43.7 90.5 92 108 A F E +E 126 0A 82 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.994 360.0 123.7-141.8 132.4 26.1 44.4 91.5 93 109 A G E -E 125 0A 15 32,-1.3 32,-2.5 -2,-0.4 2,-0.1 -0.989 55.3 -65.6-169.8 174.2 22.9 42.5 90.8 94 110 A H E +E 124 0A 113 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.412 48.7 173.2 -68.9 148.6 19.7 40.9 92.1 95 111 A A E -E 123 0A 13 28,-2.2 28,-2.6 -2,-0.1 2,-0.8 -0.978 35.2-120.6-154.9 148.0 20.0 37.7 94.2 96 112 A Q E -E 122 0A 75 -2,-0.3 49,-0.4 26,-0.2 2,-0.3 -0.857 33.0-158.6 -95.5 108.0 17.7 35.5 96.1 97 113 A L E -E 121 0A 0 24,-2.9 24,-2.5 -2,-0.8 2,-0.5 -0.640 2.6-149.9 -85.3 141.9 18.9 35.5 99.7 98 114 A R E -EF 120 143A 90 45,-3.0 45,-2.1 -2,-0.3 2,-0.5 -0.970 14.2-133.1-117.0 124.7 17.9 32.7 102.1 99 115 A V E - F 0 142A 8 20,-2.4 2,-0.5 -2,-0.5 43,-0.2 -0.635 21.0-178.5 -84.9 122.3 17.6 33.4 105.8 100 116 A L S S+ 0 0 54 41,-0.6 -2,-0.0 -2,-0.5 18,-0.0 -0.969 78.1 11.2-106.3 130.0 19.2 31.1 108.4 101 117 A N S S- 0 0 66 -2,-0.5 -1,-0.3 1,-0.1 3,-0.1 0.969 72.6-142.1 61.8 89.5 18.4 32.4 111.8 102 118 A P > + 0 0 60 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.501 42.3 176.7 -66.1 -5.2 15.7 35.2 111.5 103 119 A A T 4 - 0 0 20 1,-0.2 -2,-0.1 2,-0.2 50,-0.0 0.132 51.1 -65.6 64.6-153.4 17.6 36.9 114.2 104 120 A F T >4 S+ 0 0 130 -3,-0.1 3,-0.5 2,-0.1 -1,-0.2 0.544 134.2 56.7-103.9 -27.7 16.5 40.3 115.4 105 121 A L T 34 S+ 0 0 2 1,-0.2 75,-0.2 79,-0.1 76,-0.2 0.592 116.5 31.9 -82.8 -13.8 17.4 42.0 112.1 106 122 A F T 3< S+ 0 0 2 -4,-1.2 2,-0.3 74,-0.1 -1,-0.2 0.115 74.0 146.1-129.1 18.2 15.1 39.7 110.0 107 123 A D S < S- 0 0 94 -3,-0.5 2,-0.4 70,-0.1 1183,-0.1 -0.465 84.2 -10.0 -68.5 126.5 12.2 38.9 112.3 108 124 A G S S+ 0 0 12 -2,-0.3 1180,-0.1 1,-0.2 1181,-0.1 -0.744 94.7 126.5 76.4-138.4 9.2 38.7 109.9 109 125 A I + 0 0 1 1178,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.965 29.6 152.2 56.4 84.6 10.6 40.1 106.7 110 126 A E - 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0 0 12 -5,-0.8 -1,-0.2 1,-0.1 -2,-0.1 -0.718 26.5-173.1 -91.7 130.3 20.5 94.1 109.2 313 329 A K + 0 0 131 -2,-0.4 2,-0.4 -100,-0.4 -1,-0.1 0.746 62.8 65.8 -93.9 -28.3 23.0 91.8 110.9 314 330 A W E -m 214 0C 28 -101,-0.9 -99,-1.8 -105,-0.1 2,-0.4 -0.801 58.4-163.8-105.0 139.6 21.6 88.4 110.1 315 331 A L E -mo 215 330C 32 14,-2.1 16,-1.8 -2,-0.4 2,-0.5 -0.983 11.0-147.2-121.0 130.3 21.2 86.6 106.8 316 332 A G E -mo 216 331C 2 -101,-3.6 -99,-0.8 -2,-0.4 2,-0.3 -0.844 19.7-176.2 -98.5 127.9 19.0 83.6 106.2 317 333 A Q - 0 0 65 14,-1.9 17,-0.5 -2,-0.5 -101,-0.0 -0.866 32.1-132.9-123.8 157.5 20.0 81.0 103.7 318 334 A G + 0 0 19 -2,-0.3 14,-0.1 14,-0.1 -94,-0.1 0.017 47.5 153.3 -97.9 25.5 18.5 77.8 102.3 319 335 A T - 0 0 28 4,-0.1 15,-0.3 1,-0.0 2,-0.2 -0.361 25.7-164.3 -53.9 128.3 21.6 75.7 102.7 320 336 A I > - 0 0 11 15,-0.1 4,-1.4 16,-0.1 15,-0.2 -0.507 32.0 -95.3-110.5-178.3 20.5 72.1 103.2 321 337 A Y H > S+ 0 0 17 16,-2.5 4,-2.7 13,-0.5 5,-0.2 0.882 116.8 58.3 -73.8 -39.7 22.3 69.0 104.4 322 338 A P H > S+ 0 0 30 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.896 109.5 45.7 -57.0 -38.5 23.5 67.6 101.1 323 339 A D H 4 S+ 0 0 85 2,-0.2 -2,-0.2 1,-0.2 -4,-0.1 0.814 111.4 54.2 -74.6 -26.1 25.3 70.8 100.3 324 340 A V H < S+ 0 0 41 -4,-1.4 -1,-0.2 1,-0.2 -3,-0.1 0.931 108.5 47.8 -63.6 -45.6 26.8 70.8 103.8 325 341 A I H < S+ 0 0 46 -4,-2.7 2,-0.6 -292,-0.0 -2,-0.2 0.695 91.6 93.3 -77.2 -16.7 28.1 67.3 103.4 326 342 A E < 0 0 161 -4,-1.0 0, 0.0 -5,-0.2 0, 0.0 -0.667 360.0 360.0 -74.2 118.5 29.7 68.2 100.0 327 343 A S 0 0 161 -2,-0.6 -3,-0.0 0, 0.0 -2,-0.0 -0.976 360.0 360.0-150.7 360.0 33.3 69.3 100.6 328 ! 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 0.0 329 370 A K 0 0 148 0, 0.0 -14,-2.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 112.3 26.3 86.4 110.1 330 371 A L E -o 315 0C 89 -16,-0.2 2,-0.4 -14,-0.1 -14,-0.2 -0.334 360.0-169.5 -87.4 156.4 24.4 83.4 108.8 331 372 A I E -o 316 0C 7 -16,-1.8 -14,-1.9 -2,-0.1 -126,-0.0 -0.952 8.0-175.8-139.3 117.2 21.3 81.4 110.0 332 373 A E > + 0 0 53 -2,-0.4 3,-1.0 -16,-0.2 -14,-0.1 -0.822 7.9 173.4-119.6 89.0 20.7 78.1 108.1 333 374 A P T 3 S+ 0 0 18 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.774 80.7 45.7 -68.8 -26.0 17.4 76.5 109.3 334 375 A L T > S+ 0 0 0 -17,-0.5 3,-2.4 -15,-0.3 -13,-0.5 0.373 76.4 111.3 -98.3 6.3 17.4 73.7 106.8 335 376 A R T < S+ 0 0 104 -3,-1.0 -1,-0.2 1,-0.3 -15,-0.1 0.506 82.0 44.0 -67.4 -4.4 21.1 72.7 107.2 336 377 A E T 3 S+ 0 0 57 -3,-0.3 2,-0.3 -17,-0.1 -1,-0.3 0.393 99.9 94.7-107.3 -2.8 20.2 69.3 108.8 337 378 A L < - 0 0 3 -3,-2.4 -16,-2.5 2,-0.0 2,-0.1 -0.682 63.0-142.7-100.3 142.2 17.4 68.5 106.3 338 379 A F > - 0 0 3 -2,-0.3 4,-2.0 -18,-0.2 3,-0.2 -0.390 39.9 -96.8 -84.3 174.4 17.4 66.5 103.1 339 380 A K H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 121.5 57.2 -67.0 -39.2 15.3 67.5 100.2 340 381 A D H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.9 47.2 -49.4 -47.0 12.3 65.2 101.0 341 382 A E H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.901 107.6 52.6 -71.6 -44.4 12.1 66.9 104.3 342 383 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.918 111.5 49.7 -56.6 -42.8 12.3 70.4 103.1 343 384 A R H X S+ 0 0 72 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.935 110.8 48.3 -62.6 -45.0 9.5 69.5 100.8 344 385 A K H X S+ 0 0 99 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.888 112.8 48.4 -64.0 -38.7 7.4 68.0 103.6 345 386 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.913 107.5 57.8 -62.9 -43.7 8.0 71.1 105.8 346 387 A G H X>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.2 4,-0.8 0.908 107.4 44.8 -53.5 -50.1 7.0 73.3 102.8 347 388 A L H ><5S+ 0 0 19 -4,-2.0 3,-1.1 1,-0.2 702,-0.2 0.949 115.6 47.5 -61.1 -48.3 3.6 71.8 102.5 348 389 A E H 3<5S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.823 107.3 56.1 -65.3 -34.2 3.0 71.9 106.2 349 390 A L H 3<5S- 0 0 18 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.655 125.5-102.5 -70.4 -17.9 4.2 75.5 106.5 350 391 A G T <<5 + 0 0 14 -3,-1.1 -3,-0.2 -4,-0.8 -2,-0.1 0.588 68.5 147.7 108.5 15.2 1.5 76.3 103.9 351 392 A L < - 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