==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 22-MAY-01 1J8S . COMPND 2 MOLECULE: PYELONEPHRITIC ADHESIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.W.DODSON,J.S.PINKNER,T.ROSE,G.MAGNUSSON,S.J.HULTGREN, . 196 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 40.8 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 . 1 0.5 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 . 28 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.5 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+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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 2 2 1 0 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 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 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 W 0 0 81 0, 0.0 164,-1.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 167.9 16.6 26.9 75.9 2 2 A N E -A 164 0A 34 162,-0.2 43,-0.9 163,-0.1 2,-0.5 -0.965 360.0-174.6-144.6 123.3 16.4 26.7 72.1 3 3 A N E -AB 163 44A 0 160,-3.7 160,-3.7 -2,-0.3 2,-0.4 -0.970 9.2-179.8-117.5 122.4 17.6 29.2 69.4 4 4 A I E +AB 162 43A 0 39,-2.6 39,-2.2 -2,-0.5 2,-0.4 -0.986 0.6 178.8-125.9 129.6 16.7 28.5 65.8 5 5 A V E -AB 161 42A 0 156,-2.6 156,-3.2 -2,-0.4 2,-0.6 -0.994 18.6-146.3-131.1 133.7 17.7 30.7 62.9 6 6 A F E -AB 160 41A 0 35,-3.0 34,-1.9 -2,-0.4 2,-0.8 -0.888 9.9-159.1-103.3 117.3 17.1 30.2 59.2 7 7 A Y E -AB 159 39A 3 152,-2.8 152,-2.3 -2,-0.6 2,-0.5 -0.854 13.8-150.5 -97.3 109.9 19.9 31.5 56.9 8 8 A S E -AB 158 38A 1 30,-3.3 30,-2.5 -2,-0.8 150,-0.3 -0.692 2.6-151.7 -89.1 125.2 18.4 32.0 53.4 9 9 A L E -AB 157 37A 3 148,-2.5 148,-0.5 -2,-0.5 175,-0.3 -0.627 12.2-175.9 -88.8 149.5 20.6 31.7 50.3 10 10 A G + 0 0 44 26,-0.6 2,-0.3 -2,-0.2 175,-0.2 -0.488 17.9 147.8-150.5 76.4 19.7 33.7 47.3 11 11 A D - 0 0 29 -2,-0.1 175,-1.8 22,-0.1 2,-0.4 -0.774 37.4-133.2-109.1 155.6 21.8 33.2 44.2 12 12 A V E +g 186 0B 90 -2,-0.3 2,-0.3 173,-0.2 175,-0.2 -0.911 30.7 168.0-109.9 135.1 20.5 33.5 40.6 13 13 A N E -g 187 0B 60 173,-2.8 175,-3.5 -2,-0.4 2,-0.3 -0.946 21.8-143.5-142.5 163.7 21.4 30.9 38.0 14 14 A S E -g 188 0B 60 -2,-0.3 2,-0.4 173,-0.2 175,-0.2 -0.956 4.4-162.5-129.4 147.4 20.4 29.7 34.6 15 15 A Y E -g 189 0B 61 173,-2.3 175,-3.1 -2,-0.3 2,-0.6 -0.987 15.1-142.4-132.7 121.5 20.0 26.3 33.0 16 16 A Q E +g 190 0B 121 -2,-0.4 175,-0.2 173,-0.2 173,-0.1 -0.738 21.3 174.3 -86.8 120.0 20.0 25.9 29.2 17 17 A G E - 0 0 28 173,-3.6 174,-0.2 -2,-0.6 -1,-0.2 0.665 27.0-158.3 -96.5 -20.7 17.6 23.2 28.1 18 18 A G E - 0 0 25 172,-0.4 174,-2.9 8,-0.1 2,-0.4 -0.433 50.9 -3.5 79.2-152.8 18.0 23.8 24.4 19 19 A N E S+g 192 0B 101 172,-0.2 2,-0.3 -2,-0.1 174,-0.2 -0.629 74.6 176.4 -79.6 131.2 15.4 22.8 21.8 20 20 A V E -g 193 0B 3 172,-3.0 174,-2.6 -2,-0.4 2,-0.4 -0.904 24.1-141.8-134.4 162.0 12.5 20.8 23.3 21 21 A V > - 0 0 31 -2,-0.3 3,-2.9 172,-0.2 175,-0.2 -0.949 29.3-117.4-123.7 143.5 9.2 19.3 22.2 22 22 A I T 3 S+ 0 0 24 173,-2.4 118,-0.3 -2,-0.4 174,-0.1 0.542 113.0 62.9 -59.5 -5.6 6.0 19.4 24.3 23 23 A T T 3 S+ 0 0 106 172,-0.3 -1,-0.3 116,-0.1 2,-0.1 0.533 96.0 77.5 -93.5 -7.8 6.0 15.6 24.5 24 24 A Q S < S- 0 0 95 -3,-2.9 116,-0.7 1,-0.0 -4,-0.0 -0.428 72.2-141.2 -94.6 172.0 9.3 15.7 26.4 25 25 A R - 0 0 137 114,-0.1 114,-0.2 -2,-0.1 -3,-0.1 -0.680 25.8-157.2-131.9 74.4 10.1 16.5 30.0 26 26 A P - 0 0 16 0, 0.0 112,-2.8 0, 0.0 2,-0.2 -0.215 11.6-139.9 -54.7 141.5 13.3 18.5 29.8 27 27 A Q E -I 137 0C 74 110,-0.3 2,-0.3 -10,-0.1 110,-0.3 -0.574 15.0-165.0-102.9 165.9 15.3 18.5 33.0 28 28 A F E -I 136 0C 0 108,-1.9 108,-2.3 -2,-0.2 2,-0.4 -0.984 19.3-124.8-148.4 145.2 17.3 21.2 34.8 29 29 A I E -I 135 0C 48 -2,-0.3 2,-0.6 106,-0.2 106,-0.2 -0.795 12.8-159.2 -99.0 133.0 19.9 20.9 37.6 30 30 A T E -I 134 0C 7 104,-2.6 104,-2.2 -2,-0.4 2,-0.3 -0.937 15.5-169.6-110.2 114.1 19.6 22.7 40.9 31 31 A S - 0 0 44 -2,-0.6 2,-0.7 102,-0.2 102,-0.1 -0.774 22.6-128.3-104.9 150.7 23.0 23.0 42.7 32 32 A W - 0 0 9 99,-0.7 99,-0.4 -2,-0.3 101,-0.0 -0.866 32.3-168.4 -96.4 114.5 23.6 24.1 46.2 33 33 A R - 0 0 91 -2,-0.7 96,-0.1 97,-0.1 94,-0.1 -0.903 22.1-118.8-113.2 132.8 26.2 26.9 46.1 34 34 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 94,-0.2 -0.324 58.2 118.8 -60.6 143.2 28.1 28.4 49.1 35 35 A G E - C 0 127A 19 92,-1.4 92,-2.9 90,-0.1 2,-0.3 -0.974 63.4 -40.8 179.8-169.4 27.5 32.1 49.5 36 36 A I E - C 0 126A 77 -2,-0.3 -26,-0.6 90,-0.2 2,-0.3 -0.636 53.3-161.8 -80.8 133.1 26.1 34.9 51.7 37 37 A A E -BC 9 125A 0 88,-3.0 88,-1.4 -2,-0.3 2,-0.4 -0.888 6.2-147.0-117.6 149.9 22.9 34.0 53.5 38 38 A T E -BC 8 124A 41 -30,-2.5 -30,-3.3 -2,-0.3 2,-0.3 -0.929 23.1-116.0-116.5 136.5 20.4 36.3 55.1 39 39 A V E +B 7 0A 2 84,-2.9 83,-2.6 -2,-0.4 -32,-0.2 -0.541 39.2 164.8 -69.3 129.8 18.3 35.5 58.2 40 40 A T E + 0 0 30 -34,-1.9 2,-0.3 1,-0.4 -1,-0.2 0.317 64.3 16.2-126.5 2.2 14.7 35.4 57.2 41 41 A W E +B 6 0A 53 -35,-0.7 -35,-3.0 140,-0.1 -1,-0.4 -0.914 59.5 166.7-172.3 144.5 13.3 33.7 60.3 42 42 A N E -B 5 0A 45 -2,-0.3 2,-0.3 -37,-0.2 -37,-0.2 -0.983 17.6-162.5-159.3 160.6 14.2 32.8 63.9 43 43 A Q E +B 4 0A 96 -39,-2.2 -39,-2.6 -2,-0.3 2,-0.4 -0.899 26.6 168.7-148.4 113.7 12.7 31.6 67.1 44 44 A a E +B 3 0A 47 -2,-0.3 -41,-0.2 -41,-0.2 74,-0.1 -0.992 30.1 160.6-139.1 141.6 14.7 32.1 70.3 45 45 A N + 0 0 112 -43,-0.9 -42,-0.1 -2,-0.4 -1,-0.1 0.149 68.2 73.3-135.2 13.2 14.3 31.9 74.1 46 46 A G S S- 0 0 30 1,-0.3 -2,-0.1 -44,-0.2 118,-0.0 -0.244 93.0 -46.8-112.5-159.8 18.0 31.7 75.0 47 47 A P - 0 0 52 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.280 37.3-141.6 -70.7 158.9 21.1 34.0 75.1 48 48 A E S S+ 0 0 85 1,-0.2 69,-2.2 68,-0.1 70,-0.6 0.843 82.3 28.1 -89.1 -38.8 21.9 36.3 72.2 49 49 A F E -L 116 0D 130 67,-0.3 2,-0.6 68,-0.2 67,-0.2 -0.955 60.3-149.6-128.7 147.1 25.7 35.9 72.4 50 50 A A E -L 115 0D 11 65,-2.8 65,-2.3 -2,-0.4 6,-0.0 -0.964 12.2-160.5-108.9 120.4 28.1 33.2 73.5 51 51 A D - 0 0 95 -2,-0.6 63,-0.2 63,-0.2 -1,-0.1 0.376 47.9 -98.7 -85.9 5.2 31.3 34.9 74.7 52 52 A G S S+ 0 0 32 2,-0.2 62,-0.1 61,-0.2 -1,-0.0 0.111 108.3 89.1 102.5 -22.3 33.5 31.8 74.4 53 53 A F S S+ 0 0 167 60,-0.1 2,-0.3 2,-0.0 60,-0.1 0.662 81.7 64.1 -81.9 -16.7 33.3 30.7 78.0 54 54 A W S S- 0 0 175 58,-0.3 -2,-0.2 59,-0.0 2,-0.2 -0.847 70.6-127.3-122.3 152.6 30.2 28.5 77.6 55 55 A A + 0 0 41 -2,-0.3 2,-0.3 110,-0.1 57,-0.2 -0.536 26.8 163.2 -91.0 152.4 28.9 25.4 75.9 56 56 A Y E -D 111 0A 8 55,-1.9 55,-2.6 -2,-0.2 2,-0.4 -0.926 33.0-111.8-153.4 167.5 25.9 25.0 73.7 57 57 A Y E -DE 110 164A 52 107,-3.3 107,-2.0 -2,-0.3 2,-0.3 -0.918 21.8-143.8-116.5 138.5 24.8 22.3 71.2 58 58 A R E +DE 109 163A 43 51,-2.5 51,-1.7 -2,-0.4 2,-0.4 -0.765 17.3 176.2-101.8 142.8 24.4 22.6 67.4 59 59 A E E - E 0 162A 15 103,-1.7 103,-2.7 -2,-0.3 2,-0.5 -0.928 13.5-172.5-141.5 112.8 21.9 21.0 65.1 60 60 A Y E +DE 106 161A 13 46,-1.7 45,-1.7 -2,-0.4 46,-1.1 -0.931 6.6 177.8-115.3 130.0 22.1 22.0 61.5 61 61 A I E -DE 104 160A 13 99,-2.4 99,-3.1 -2,-0.5 43,-0.3 -0.984 20.3-140.6-134.1 125.2 19.6 21.1 58.7 62 62 A A E -DE 103 159A 0 41,-3.0 41,-1.9 -2,-0.4 2,-0.3 -0.588 22.5-163.2 -81.3 144.7 19.7 22.2 55.1 63 63 A W E +DE 102 158A 1 95,-2.7 95,-2.0 -2,-0.2 2,-0.3 -0.951 18.3 179.5-130.3 150.1 16.4 23.1 53.5 64 64 A V E -DE 101 157A 3 37,-1.9 37,-3.1 -2,-0.3 2,-0.6 -0.946 6.3-170.4-146.9 122.4 15.1 23.5 49.9 65 65 A V E -DE 100 156A 0 91,-2.5 91,-2.0 -2,-0.3 35,-0.2 -0.970 15.3-176.1-117.7 112.7 11.5 24.5 49.2 66 66 A F E -D 99 0A 0 33,-1.4 33,-3.5 -2,-0.6 89,-0.1 -0.913 25.1-115.9-116.3 136.9 10.7 24.2 45.5 67 67 A P E -D 98 0A 10 0, 0.0 31,-0.3 0, 0.0 3,-0.1 -0.320 9.1-148.5 -66.6 149.0 7.5 25.0 43.6 68 68 A K S S+ 0 0 48 29,-2.8 12,-2.5 1,-0.2 2,-0.3 0.511 84.1 23.6 -92.7 -6.8 5.6 22.2 41.9 69 69 A K E -J 79 0C 112 28,-0.5 2,-0.4 10,-0.2 -1,-0.2 -0.985 62.9-170.1-157.6 146.0 4.4 24.6 39.2 70 70 A V E -J 78 0C 17 8,-1.9 8,-1.9 -2,-0.3 2,-0.4 -0.999 22.8-125.8-142.6 138.0 5.4 27.9 37.7 71 71 A X E -J 77 0C 114 -2,-0.4 81,-0.2 6,-0.2 2,-0.1 -0.671 24.6-132.3 -83.6 132.2 3.7 30.3 35.3 72 72 A T > - 0 0 4 4,-2.9 3,-2.1 -2,-0.4 4,-0.1 -0.387 30.2-104.6 -74.8 161.6 5.6 31.2 32.1 73 73 A Q T 3 S+ 0 0 206 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.889 121.8 53.7 -56.0 -40.5 5.7 34.9 31.3 74 74 A N T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.346 128.5 -93.4 -79.0 8.8 3.1 34.4 28.5 75 75 A G S < S+ 0 0 43 -3,-2.1 -2,-0.1 1,-0.2 -1,-0.1 0.822 77.9 132.2 90.1 33.2 0.7 32.8 30.9 76 76 A Y - 0 0 60 -4,-0.1 -4,-2.9 69,-0.0 2,-0.3 -0.951 51.6-123.3-121.0 138.7 1.2 29.0 30.7 77 77 A P E -J 71 0C 37 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.567 20.5-162.7 -78.8 134.7 1.6 26.5 33.6 78 78 A L E -J 70 0C 2 -8,-1.9 -8,-1.9 -2,-0.3 2,-0.5 -0.970 13.5-139.3-116.2 132.2 4.7 24.4 33.7 79 79 A F E -JK 69 139C 90 60,-2.1 60,-2.7 -2,-0.5 2,-0.5 -0.827 13.0-153.0 -96.3 126.3 4.6 21.3 36.0 80 80 A I E - K 0 138C 2 -12,-2.5 2,-0.3 -2,-0.5 58,-0.2 -0.860 15.0-178.3-102.7 123.5 7.8 20.6 37.9 81 81 A E E - K 0 137C 53 56,-3.0 56,-2.4 -2,-0.5 2,-0.5 -0.891 31.7-111.6-120.2 151.3 8.6 17.1 39.0 82 82 A V E + K 0 136C 28 -2,-0.3 54,-0.3 54,-0.2 3,-0.1 -0.686 34.9 171.8 -81.0 122.4 11.5 15.7 41.0 83 83 A H E S+ 0 0 96 52,-2.6 2,-0.3 -2,-0.5 53,-0.2 0.850 73.0 1.3 -96.4 -46.4 13.7 13.6 38.7 84 84 A N E + K 0 135C 88 51,-2.5 51,-3.2 1,-0.1 -1,-0.3 -0.892 54.8 176.8-147.2 112.3 16.7 12.9 41.1 85 85 A K > - 0 0 78 -2,-0.3 3,-2.1 1,-0.3 47,-0.1 0.284 27.1-158.3 -97.4 6.9 16.7 14.1 44.7 86 86 A G T 3 - 0 0 34 1,-0.3 -1,-0.3 49,-0.1 48,-0.1 -0.204 66.9 -21.3 51.9-134.6 20.0 12.4 45.5 87 87 A S T 3 S+ 0 0 68 46,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.428 103.6 125.5 -85.9 -0.8 20.4 12.0 49.3 88 88 A W < - 0 0 6 -3,-2.1 2,-0.7 45,-0.2 15,-0.2 -0.270 64.7-123.3 -60.7 144.9 17.9 14.7 50.1 89 89 A S E -F 102 0A 51 13,-2.9 13,-2.1 2,-0.0 2,-0.7 -0.824 22.0-151.7 -92.3 113.3 15.0 13.8 52.4 90 90 A E E +F 101 0A 59 -2,-0.7 11,-0.2 11,-0.2 3,-0.2 -0.781 28.6 169.2 -88.3 114.9 11.8 14.6 50.5 91 91 A E E +F 100 0A 34 9,-2.9 9,-0.7 -2,-0.7 -2,-0.0 -0.679 44.4 36.3-124.2 176.0 9.1 15.4 53.1 92 92 A N > + 0 0 62 -2,-0.2 3,-2.1 1,-0.1 -1,-0.2 0.882 63.1 170.3 48.8 43.1 5.6 16.7 53.4 93 93 A T T 3 + 0 0 99 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.676 62.6 73.7 -57.2 -19.6 4.8 15.0 50.2 94 94 A G T 3 + 0 0 58 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.731 69.7 108.4 -69.9 -21.3 1.1 15.8 50.7 95 95 A D < - 0 0 24 -3,-2.1 5,-0.1 1,-0.1 0, 0.0 -0.304 57.2-156.8 -59.3 137.6 1.6 19.4 49.9 96 96 A N S S+ 0 0 138 1,-0.1 -1,-0.1 3,-0.0 3,-0.1 0.534 84.5 39.4 -94.1 -6.8 0.1 20.3 46.5 97 97 A D S S+ 0 0 117 1,-0.2 -29,-2.8 -30,-0.1 -28,-0.5 0.724 112.7 28.4-114.2 -29.2 2.2 23.4 45.8 98 98 A S E -D 67 0A 7 -31,-0.3 2,-0.3 -6,-0.2 -1,-0.2 -0.957 60.2-130.6-139.2 155.3 5.7 22.8 46.9 99 99 A Y E -D 66 0A 31 -33,-3.5 -33,-1.4 -2,-0.3 2,-0.5 -0.719 21.6-149.2 -96.1 152.8 8.4 20.2 47.4 100 100 A F E -DF 65 91A 0 -9,-0.7 -9,-2.9 -2,-0.3 2,-0.5 -0.958 16.2-179.5-128.4 112.2 10.2 20.1 50.8 101 101 A F E +DF 64 90A 0 -37,-3.1 -37,-1.9 -2,-0.5 2,-0.3 -0.940 5.9 173.9-113.8 130.4 13.8 18.8 50.8 102 102 A L E -DF 63 89A 4 -13,-2.1 -13,-2.9 -2,-0.5 2,-0.3 -0.927 16.0-173.4-133.4 159.8 15.9 18.6 53.9 103 103 A K E -D 62 0A 64 -41,-1.9 -41,-3.0 -2,-0.3 2,-0.6 -0.800 7.9-162.6-155.4 104.7 19.3 17.3 55.0 104 104 A G E +D 61 0A 34 -43,-0.3 -43,-0.2 -2,-0.3 3,-0.1 -0.812 19.7 162.4 -90.0 125.2 20.4 17.2 58.6 105 105 A Y E + 0 0 78 -45,-1.7 2,-0.3 -2,-0.6 -44,-0.1 0.338 60.2 43.7-123.7 3.3 24.2 16.8 58.8 106 106 A K E +D 60 0A 40 -46,-1.1 -46,-1.7 3,-0.0 2,-0.3 -0.964 56.6 147.6-154.4 133.1 24.9 17.9 62.3 107 107 A W E + 0 0 139 -2,-0.3 -48,-0.2 -48,-0.2 3,-0.1 -0.982 62.3 21.0-159.6 157.2 23.3 17.3 65.7 108 108 A D E S+ 0 0 51 61,-0.4 2,-0.9 -2,-0.3 -49,-0.1 0.684 76.6 154.7 55.5 20.6 24.2 16.9 69.4 109 109 A E E -D 58 0A 61 -51,-1.7 -51,-2.5 58,-0.0 -1,-0.2 -0.693 34.3-148.1 -87.7 108.5 27.5 18.8 68.6 110 110 A R E +D 57 0A 141 -2,-0.9 2,-0.3 -53,-0.2 -53,-0.2 -0.444 25.4 170.6 -71.3 141.3 28.8 20.6 71.7 111 111 A A E -D 56 0A 5 -55,-2.6 -55,-1.9 -2,-0.1 -2,-0.0 -0.996 36.7-166.6-154.3 150.5 30.6 23.8 71.1 112 112 A F + 0 0 94 -2,-0.3 -58,-0.3 -57,-0.2 -60,-0.1 0.353 43.4 143.1-113.5 -3.0 32.1 26.8 72.9 113 113 A D - 0 0 92 -57,-0.1 -61,-0.2 1,-0.1 -63,-0.1 -0.131 53.2-121.2 -46.8 123.8 32.6 29.0 69.8 114 114 A A + 0 0 71 -63,-0.2 2,-0.3 -62,-0.1 -63,-0.2 -0.364 59.0 107.0 -65.8 145.4 31.9 32.6 70.6 115 115 A G E S-L 50 0D 32 -65,-2.3 -65,-2.8 -2,-0.0 2,-0.7 -0.913 71.9 -62.6 162.0 171.3 29.2 34.1 68.5 116 116 A N E -L 49 0D 46 -2,-0.3 3,-0.4 -67,-0.2 -67,-0.3 -0.732 37.1-170.3 -84.1 114.6 25.7 35.4 68.0 117 117 A L S S+ 0 0 5 -69,-2.2 46,-0.2 -2,-0.7 -68,-0.2 0.211 79.9 31.6 -93.7 16.1 23.3 32.6 68.7 118 118 A a S S- 0 0 18 -70,-0.6 -1,-0.2 -74,-0.1 -74,-0.1 -0.178 72.7-174.6-166.3 62.2 20.2 34.4 67.5 119 119 A Q - 0 0 31 -3,-0.4 3,-0.1 1,-0.1 -71,-0.0 -0.353 28.7-117.4 -63.0 142.7 20.8 36.9 64.7 120 120 A K > - 0 0 123 1,-0.2 3,-2.4 -115,-0.1 -81,-0.3 -0.393 40.6 -72.9 -82.9 157.8 17.7 38.9 63.7 121 121 A P T 3 S+ 0 0 85 0, 0.0 -81,-0.2 0, 0.0 -1,-0.2 -0.192 122.3 32.2 -49.1 131.4 16.0 38.9 60.3 122 122 A G T 3 S+ 0 0 48 -83,-2.6 -82,-0.1 1,-0.4 2,-0.1 0.184 88.9 120.2 104.8 -18.9 18.1 40.8 57.8 123 123 A E < - 0 0 99 -3,-2.4 -84,-2.9 -84,-0.1 -1,-0.4 -0.411 48.7-148.2 -76.9 158.4 21.5 39.8 59.3 124 124 A I E +C 38 0A 100 -86,-0.2 2,-0.3 -3,-0.1 -86,-0.2 -0.771 21.7 169.2-126.0 171.1 24.0 37.9 57.2 125 125 A T E -C 37 0A 43 -88,-1.4 -88,-3.0 -2,-0.2 2,-0.4 -0.925 38.1 -99.1-171.2 156.2 26.8 35.3 57.3 126 126 A R E -C 36 0A 157 -2,-0.3 2,-0.5 -90,-0.2 -90,-0.2 -0.739 29.2-161.0 -91.6 130.9 28.8 33.2 54.9 127 127 A L E +C 35 0A 0 -92,-2.9 -92,-1.4 -2,-0.4 -2,-0.0 -0.937 17.4 168.7-110.8 129.4 27.8 29.6 54.3 128 128 A T + 0 0 96 -2,-0.5 -1,-0.1 -94,-0.2 -92,-0.0 0.450 36.4 118.7-118.6 -3.8 30.3 27.3 52.7 129 129 A E - 0 0 41 -96,-0.1 2,-0.4 1,-0.1 -2,-0.1 -0.283 52.3-145.3 -62.0 151.1 28.7 23.9 53.2 130 130 A K - 0 0 125 -97,-0.1 2,-0.3 -96,-0.1 -97,-0.1 -0.920 14.9-169.5-118.9 143.9 28.0 22.0 50.0 131 131 A F - 0 0 20 -99,-0.4 -99,-0.7 -2,-0.4 -28,-0.0 -0.943 32.0 -81.6-133.4 159.1 25.0 19.7 49.4 132 132 A D - 0 0 76 -2,-0.3 -1,-0.1 -101,-0.1 2,-0.1 -0.025 49.2-106.0 -52.7 155.8 23.9 17.3 46.8 133 133 A D - 0 0 60 -102,-0.1 2,-0.4 -101,-0.0 -45,-0.2 -0.329 23.7-145.6 -77.4 166.4 22.3 18.5 43.5 134 134 A I E -I 30 0C 2 -104,-2.2 -104,-2.6 -48,-0.1 2,-0.5 -0.989 10.6-157.2-135.3 122.7 18.6 18.1 42.9 135 135 A I E -IK 29 84C 32 -51,-3.2 -52,-2.6 -2,-0.4 -51,-2.5 -0.902 11.5-174.7-106.9 131.0 17.5 17.4 39.3 136 136 A F E -IK 28 82C 0 -108,-2.3 -108,-1.9 -2,-0.5 2,-0.3 -0.716 12.5-148.8-114.9 167.6 13.9 18.2 38.2 137 137 A K E -IK 27 81C 60 -56,-2.4 -56,-3.0 -110,-0.3 2,-0.4 -0.982 14.0-140.1-135.6 145.2 12.1 17.6 35.0 138 138 A V E - K 0 80C 1 -112,-2.8 2,-0.6 -2,-0.3 -58,-0.2 -0.890 1.2-147.6-114.4 138.9 9.4 19.8 33.6 139 139 A A E - K 0 79C 15 -60,-2.7 -60,-2.1 -2,-0.4 -114,-0.1 -0.901 19.6-150.8-101.3 125.6 6.1 18.9 31.8 140 140 A L - 0 0 13 -116,-0.7 2,-0.2 -2,-0.6 -62,-0.1 -0.801 20.6-112.7 -98.0 136.8 5.2 21.4 29.2 141 141 A P > - 0 0 16 0, 0.0 3,-2.7 0, 0.0 -119,-0.1 -0.491 24.5-124.4 -69.1 135.7 1.5 22.0 28.4 142 142 A A T 3 S+ 0 0 77 1,-0.3 -120,-0.1 -2,-0.2 -119,-0.1 0.732 109.8 57.4 -51.0 -27.3 0.7 20.8 24.8 143 143 A D T 3 S+ 0 0 106 -121,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.360 73.7 132.2 -89.0 6.9 -0.7 24.3 24.0 144 144 A L < - 0 0 6 -3,-2.7 51,-0.1 1,-0.1 -122,-0.1 -0.407 63.2-114.5 -62.0 123.0 2.6 26.1 24.9 145 145 A P - 0 0 44 0, 0.0 48,-0.2 0, 0.0 50,-0.1 -0.165 32.0-104.1 -57.0 151.6 3.4 28.5 22.1 146 146 A L S S+ 0 0 113 48,-0.1 2,-0.2 46,-0.1 48,-0.2 -0.362 74.9 68.0 -73.7 158.6 6.6 27.9 20.0 147 147 A G E S-H 193 0B 27 46,-2.2 46,-3.1 -2,-0.1 2,-0.2 -0.705 83.9 -33.5 126.6-178.3 9.6 30.0 20.7 148 148 A D E -H 192 0B 126 44,-0.3 2,-0.4 -2,-0.2 44,-0.2 -0.550 49.9-166.0 -83.6 143.4 12.3 30.8 23.3 149 149 A Y E -H 191 0B 23 42,-2.9 42,-2.0 -2,-0.2 2,-0.3 -0.969 19.6-178.2-130.6 146.2 11.6 30.7 27.0 150 150 A S E -H 190 0B 67 -2,-0.4 2,-0.5 40,-0.2 40,-0.2 -0.838 23.8-165.2-139.9 91.5 13.5 32.0 30.0 151 151 A V E -H 189 0B 3 38,-3.1 38,-2.6 -2,-0.3 2,-0.7 -0.754 13.8-140.9 -93.0 125.0 11.4 30.9 33.0 152 152 A K E -H 188 0B 121 -2,-0.5 36,-0.2 36,-0.2 -81,-0.1 -0.714 18.9-174.5 -83.6 112.9 12.0 32.4 36.4 153 153 A I E -H 187 0B 2 34,-2.5 34,-2.3 -2,-0.7 2,-0.2 -0.852 8.5-161.9-110.6 95.5 11.6 29.7 39.0 154 154 A P E +H 186 0B 62 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.540 19.6 159.9 -78.2 143.9 11.9 31.3 42.5 155 155 A Y E -H 185 0B 11 30,-1.7 30,-2.8 -2,-0.2 2,-0.4 -0.986 35.7-111.6-157.2 165.6 12.7 29.1 45.4 156 156 A T E + E 0 65A 0 -91,-2.0 -91,-2.5 -2,-0.3 2,-0.3 -0.832 32.8 163.4-105.1 138.6 13.9 28.9 49.0 157 157 A S E +AE 9 64A 5 -148,-0.5 -148,-2.5 -2,-0.4 2,-0.3 -0.983 19.3 112.6-147.3 148.7 17.2 27.3 50.1 158 158 A G E -AE 8 63A 0 -95,-2.0 -95,-2.7 -2,-0.3 2,-0.5 -0.989 55.4 -73.4 170.4-177.0 19.1 27.7 53.3 159 159 A X E -AE 7 62A 0 -152,-2.3 -152,-2.8 -2,-0.3 2,-0.9 -0.928 24.6-153.7-114.9 120.7 20.5 26.6 56.6 160 160 A Q E -AE 6 61A 0 -99,-3.1 -99,-2.4 -2,-0.5 2,-0.6 -0.824 19.2-166.2 -90.0 109.2 18.4 26.0 59.7 161 161 A R E -AE 5 60A 37 -156,-3.2 -156,-2.6 -2,-0.9 2,-0.6 -0.888 3.8-169.2-104.0 120.2 20.8 26.5 62.6 162 162 A H E -AE 4 59A 1 -103,-2.7 -103,-1.7 -2,-0.6 2,-0.4 -0.927 3.0-173.1-112.8 116.8 19.6 25.3 65.9 163 163 A F E +AE 3 58A 8 -160,-3.7 -160,-3.7 -2,-0.6 2,-0.3 -0.910 13.3 171.9-108.6 134.8 21.5 26.2 69.1 164 164 A A E -AE 2 57A 0 -107,-2.0 -107,-3.3 -2,-0.4 -162,-0.2 -0.950 41.0-130.5-141.6 162.6 20.5 24.6 72.4 165 165 A S S S+ 0 0 50 -164,-1.5 2,-0.3 -2,-0.3 -163,-0.1 0.396 87.3 54.7 -91.9 1.3 21.6 24.3 76.0 166 166 A Y S > S- 0 0 99 -165,-0.3 3,-1.0 -109,-0.1 2,-0.1 -0.974 83.0-105.3-141.0 154.0 21.2 20.5 76.2 167 167 A L T 3 S+ 0 0 109 -2,-0.3 -2,-0.1 1,-0.2 -58,-0.0 -0.457 102.4 35.0 -72.3 142.7 22.3 17.3 74.5 168 168 A G T 3 S+ 0 0 38 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 0.500 78.9 162.7 90.7 6.1 19.7 15.6 72.4 169 169 A A < + 0 0 4 -3,-1.0 -61,-0.4 -7,-0.0 2,-0.4 -0.359 11.0 178.2 -62.9 133.1 18.2 18.8 71.2 170 170 A R + 0 0 119 -2,-0.1 2,-0.3 -63,-0.1 -63,-0.0 -1.000 7.5 159.6-140.7 138.0 16.0 18.5 68.1 171 171 A F - 0 0 44 -2,-0.4 2,-0.4 -9,-0.0 -9,-0.1 -0.981 16.2-167.6-158.4 144.8 13.9 20.9 66.1 172 172 A K - 0 0 95 -2,-0.3 3,-0.1 -168,-0.0 -2,-0.0 -0.984 31.8-117.7-137.4 124.0 12.4 21.3 62.6 173 173 A I - 0 0 2 -2,-0.4 2,-0.0 1,-0.1 -13,-0.0 -0.348 46.9-102.6 -55.7 134.5 10.9 24.5 61.2 174 174 A P >> - 0 0 52 0, 0.0 4,-2.9 0, 0.0 3,-0.9 -0.388 22.6-127.4 -62.8 141.2 7.2 23.7 60.6 175 175 A Y H 3> S+ 0 0 66 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.863 109.5 57.4 -56.4 -38.9 6.5 23.0 56.9 176 176 A N H 34 S+ 0 0 98 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.797 112.0 42.2 -64.7 -27.8 3.7 25.6 56.9 177 177 A V H X> S+ 0 0 34 -3,-0.9 3,-0.9 2,-0.2 4,-0.7 0.909 112.9 53.0 -81.7 -46.5 6.2 28.2 58.1 178 178 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.903 103.7 55.6 -54.0 -47.7 8.9 27.0 55.7 179 179 A K T 3< S+ 0 0 93 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.789 107.4 51.4 -59.5 -25.9 6.7 27.2 52.6 180 180 A T T <4 S+ 0 0 110 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.601 85.0 115.3 -87.0 -12.3 6.0 30.9 53.5 181 181 A L S << S- 0 0 9 -3,-1.5 -140,-0.1 -4,-0.7 -3,-0.0 -0.181 83.5 -83.9 -57.1 148.0 9.8 31.7 53.8 182 182 A P - 0 0 59 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.261 34.8-140.0 -55.1 136.0 11.2 34.2 51.3 183 183 A R + 0 0 78 1,-0.2 -27,-0.2 -27,-0.1 -28,-0.1 -0.753 36.1 161.9-101.2 85.4 12.1 32.5 48.0 184 184 A E + 0 0 75 -2,-1.1 2,-0.2 -175,-0.3 -28,-0.2 0.540 44.8 86.7 -83.9 -10.5 15.3 34.3 47.3 185 185 A N E - H 0 155B 2 -30,-2.8 -30,-1.7 -175,-0.2 2,-0.4 -0.558 58.9-161.8 -88.3 158.6 16.8 31.9 44.9 186 186 A E E -gH 12 154B 40 -175,-1.8 -173,-2.8 -32,-0.2 2,-0.7 -0.929 10.4-168.1-145.9 119.0 16.1 32.0 41.2 187 187 A X E -gH 13 153B 8 -34,-2.3 -34,-2.5 -2,-0.4 2,-0.9 -0.930 13.1-156.1-105.0 115.8 16.5 29.3 38.6 188 188 A L E -gH 14 152B 27 -175,-3.5 -173,-2.3 -2,-0.7 2,-0.6 -0.827 10.0-157.2 -96.5 102.7 16.1 30.7 35.1 189 189 A F E -gH 15 151B 1 -38,-2.6 -38,-3.1 -2,-0.9 2,-0.4 -0.715 8.9-163.9 -85.1 117.7 15.2 27.8 32.9 190 190 A L E +gH 16 150B 41 -175,-3.1 -173,-3.6 -2,-0.6 -172,-0.4 -0.844 22.9 136.1-106.1 137.4 16.0 28.4 29.3 191 191 A F E - H 0 149B 3 -42,-2.0 -42,-2.9 -2,-0.4 2,-0.6 -0.962 43.8-126.6-171.3 155.7 14.6 26.4 26.3 192 192 A K E -gH 19 148B 84 -174,-2.9 -172,-3.0 -2,-0.3 2,-0.8 -0.961 21.1-144.5-114.0 120.0 13.2 26.8 22.8 193 193 A N E +gH 20 147B 1 -46,-3.1 -46,-2.2 -2,-0.6 -172,-0.2 -0.755 19.8 178.0 -84.8 111.9 9.8 25.1 22.3 194 194 A I - 0 0 100 -174,-2.6 2,-0.3 -2,-0.8 -173,-0.1 0.116 45.6-105.4-101.9 22.4 9.9 23.8 18.7 195 195 A G 0 0 13 -175,-0.2 -173,-2.4 -51,-0.1 -172,-0.3 -0.743 360.0 360.0 102.0-144.5 6.5 22.1 18.8 196 196 A G 0 0 95 -2,-0.3 -1,-0.1 -175,-0.2 -175,-0.1 0.388 360.0 360.0 109.3 360.0 5.5 18.5 18.9