==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 07-JUN-10 3NDF . COMPND 2 MOLECULE: ALPHA-1-ANTITRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.HUNTINGTON,T.J.SENDALL,M.YAMASAKI . 370 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 296 80.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 50 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 0 0 2 1 0 1 1 1 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 1 0 1 2 2 2 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 2 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 23 A F 0 0 103 0, 0.0 355,-0.2 0, 0.0 356,-0.2 0.000 360.0 360.0 360.0 113.0 -11.2 -7.9 8.3 2 24 A N > - 0 0 20 354,-0.8 3,-2.9 1,-0.1 71,-0.1 -0.245 360.0-121.3 -53.6 134.7 -9.4 -5.2 10.3 3 25 A K T 3 S+ 0 0 73 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.791 114.6 47.2 -46.6 -33.2 -8.1 -2.4 8.1 4 26 A I T 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.344 85.5 95.7 -96.3 5.7 -4.6 -3.2 9.3 5 27 A T H <> S+ 0 0 0 -3,-2.9 4,-2.5 1,-0.2 5,-0.2 0.957 77.9 55.0 -60.7 -54.9 -4.8 -6.9 8.8 6 28 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.882 110.8 47.4 -48.1 -43.1 -3.2 -7.1 5.4 7 29 A N H > S+ 0 0 14 -4,-0.3 4,-2.3 2,-0.2 5,-0.2 0.942 109.0 52.4 -65.3 -48.3 -0.1 -5.3 6.8 8 30 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.865 110.6 50.0 -53.6 -38.6 0.1 -7.5 9.8 9 31 A A H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.889 109.9 48.9 -69.0 -39.8 0.1 -10.5 7.4 10 32 A E H X S+ 0 0 49 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.778 110.0 52.3 -71.2 -27.3 2.8 -9.0 5.3 11 33 A F H X S+ 0 0 0 -4,-2.3 4,-3.4 47,-0.3 5,-0.3 0.904 106.3 55.0 -69.6 -42.5 4.9 -8.4 8.4 12 34 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.910 113.1 40.1 -55.7 -46.9 4.4 -12.0 9.4 13 35 A F H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.902 115.9 50.9 -72.8 -41.4 5.8 -13.3 6.1 14 36 A S H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.955 116.7 40.8 -56.8 -51.2 8.5 -10.6 6.0 15 37 A L H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.919 112.7 54.5 -65.7 -44.8 9.6 -11.6 9.5 16 38 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 0.896 107.1 51.3 -55.0 -43.2 9.2 -15.3 9.0 17 39 A R H X S+ 0 0 58 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.878 108.6 50.4 -66.3 -39.0 11.5 -15.2 5.9 18 40 A Q H X S+ 0 0 53 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.925 113.0 47.6 -61.7 -44.2 14.2 -13.4 7.9 19 41 A L H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.878 110.7 49.8 -63.8 -41.9 13.9 -16.0 10.6 20 42 A A H < S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.717 113.0 48.0 -72.7 -21.1 14.0 -18.9 8.2 21 43 A H H < S+ 0 0 81 -4,-1.3 3,-0.2 -5,-0.2 -1,-0.2 0.759 107.2 56.1 -86.3 -29.1 17.1 -17.4 6.6 22 44 A Q H < S+ 0 0 106 -4,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.929 126.4 17.9 -66.3 -48.3 18.8 -16.8 10.0 23 45 A S S < S- 0 0 46 -4,-2.0 3,-0.5 1,-0.1 -1,-0.3 -0.977 74.9-168.6-127.2 118.4 18.4 -20.5 10.9 24 46 A N S S+ 0 0 124 -2,-0.4 -1,-0.1 -3,-0.2 -2,-0.1 0.871 75.8 30.1 -78.3 -41.3 17.8 -22.8 7.9 25 47 A S S S+ 0 0 61 2,-0.1 2,-0.3 341,-0.0 -1,-0.2 -0.317 95.0 96.9-122.8 50.1 16.8 -26.2 9.3 26 48 A T S S- 0 0 59 -3,-0.5 2,-0.1 -6,-0.1 -3,-0.1 -0.931 76.5 -88.9-135.7 158.8 15.1 -25.6 12.7 27 49 A N - 0 0 15 -2,-0.3 2,-0.4 340,-0.2 338,-0.2 -0.410 42.4-159.3 -65.4 137.4 11.5 -25.3 14.0 28 50 A I E +A 364 0A 3 336,-2.3 336,-1.9 -2,-0.1 2,-0.2 -0.933 20.3 156.7-121.4 145.4 10.1 -21.8 14.0 29 51 A F E +A 363 0A 0 -2,-0.4 285,-0.3 334,-0.3 2,-0.3 -0.807 10.5 136.6-167.5 126.4 7.2 -20.3 16.0 30 52 A F E -A 362 0A 0 332,-2.1 332,-1.9 -2,-0.2 297,-0.1 -0.936 48.6-106.1-156.9 174.7 6.3 -16.7 16.9 31 53 A S > - 0 0 0 -2,-0.3 4,-2.3 330,-0.2 5,-0.2 -0.883 21.8-172.8-117.5 100.9 3.4 -14.3 17.2 32 54 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.926 88.0 51.6 -53.6 -50.0 3.4 -11.6 14.4 33 55 A V H > S+ 0 0 0 326,-1.5 4,-2.4 1,-0.2 5,-0.2 0.901 109.4 50.1 -56.4 -44.9 0.5 -9.7 16.0 34 56 A S H > S+ 0 0 0 326,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.951 114.0 43.8 -58.9 -52.3 2.2 -9.6 19.4 35 57 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.891 114.6 50.1 -60.2 -42.1 5.5 -8.3 17.9 36 58 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 5,-0.2 0.868 109.9 51.7 -65.7 -36.3 3.6 -5.8 15.7 37 59 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.915 109.0 48.5 -68.3 -44.1 1.6 -4.6 18.7 38 60 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.891 116.8 42.4 -63.8 -39.5 4.6 -3.9 20.9 39 61 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.847 111.4 51.9 -82.1 -34.3 6.5 -2.0 18.2 40 62 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.904 112.2 49.5 -63.8 -40.6 3.6 0.0 16.9 41 63 A M H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.2 4,-0.4 0.943 109.9 51.7 -59.1 -47.7 3.0 1.0 20.5 42 64 A L H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 4,-0.2 0.898 97.7 64.4 -57.2 -45.8 6.7 1.9 20.8 43 65 A S H >< S+ 0 0 0 -4,-2.4 3,-3.8 1,-0.3 -1,-0.2 0.854 85.4 75.4 -49.6 -39.4 6.7 4.2 17.7 44 66 A L T << S+ 0 0 32 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.800 99.8 43.6 -40.8 -38.5 4.3 6.5 19.4 45 67 A G T < S+ 0 0 0 -3,-2.2 253,-1.6 -4,-0.4 254,-0.9 0.323 105.0 81.4 -95.5 6.7 7.2 7.8 21.5 46 68 A T < - 0 0 8 -3,-3.8 2,-0.3 252,-0.2 250,-0.2 -0.617 59.7-160.2-105.9 170.6 9.6 8.0 18.6 47 69 A K >> + 0 0 81 248,-1.1 4,-1.2 -2,-0.2 3,-1.1 -0.929 45.5 2.3-144.3 166.7 10.2 10.7 16.0 48 70 A A H 3> S- 0 0 61 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 -0.164 122.2 -17.8 57.5-143.1 11.6 11.3 12.5 49 71 A D H 3> S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.694 134.4 64.3 -74.5 -17.7 13.2 8.4 10.7 50 72 A T H <> S+ 0 0 0 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.939 109.2 40.9 -62.0 -46.3 13.5 6.4 13.9 51 73 A H H X S+ 0 0 16 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.852 115.1 50.8 -69.9 -37.0 9.7 6.4 14.0 52 74 A D H X S+ 0 0 66 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.828 102.9 58.0 -74.6 -33.4 9.3 5.8 10.2 53 75 A E H X S+ 0 0 45 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.852 107.1 50.6 -64.1 -34.2 11.6 2.8 10.1 54 76 A I H X S+ 0 0 0 -4,-0.9 4,-1.3 2,-0.2 -2,-0.2 0.951 113.6 42.0 -68.4 -50.3 9.3 1.1 12.6 55 77 A L H <>S+ 0 0 0 -4,-1.6 5,-2.4 1,-0.2 -2,-0.2 0.912 120.5 43.0 -65.0 -42.4 6.1 1.8 10.8 56 78 A E H ><5S+ 0 0 128 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.835 110.2 57.7 -70.5 -31.5 7.6 0.9 7.4 57 79 A G H 3<5S+ 0 0 2 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.766 102.1 55.3 -68.2 -25.7 9.4 -2.1 9.1 58 80 A L T 3<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.2 -47,-0.3 0.174 125.4-104.7 -91.7 16.7 5.9 -3.3 10.1 59 81 A N T < 5S+ 0 0 51 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.695 73.8 146.0 69.5 20.0 4.9 -3.2 6.4 60 82 A F < - 0 0 7 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.2 -0.634 34.5-158.4 -89.1 150.0 2.8 -0.1 7.0 61 83 A N >> - 0 0 64 -2,-0.2 3,-2.1 1,-0.1 4,-1.9 -0.937 9.8-156.0-134.4 109.3 2.5 2.6 4.3 62 84 A L T 34 S+ 0 0 69 -2,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.686 95.6 57.5 -61.6 -20.5 1.5 6.2 5.3 63 85 A T T 34 S+ 0 0 130 1,-0.1 -1,-0.3 3,-0.1 0, 0.0 0.694 111.5 43.4 -80.1 -19.3 0.1 6.9 1.8 64 86 A E T <4 S+ 0 0 130 -3,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.762 129.5 15.2 -93.9 -31.4 -2.3 4.0 2.2 65 87 A I S < S- 0 0 32 -4,-1.9 -1,-0.3 -61,-0.0 5,-0.1 -0.945 78.7-120.8-149.5 123.9 -3.3 4.6 5.8 66 88 A P >> - 0 0 87 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.299 29.6-117.1 -61.3 145.7 -3.0 7.8 7.9 67 89 A E H 3> S+ 0 0 68 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.873 112.7 58.5 -54.0 -44.1 -1.0 7.3 11.2 68 90 A A H 3> S+ 0 0 80 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.888 108.2 46.8 -53.6 -41.1 -3.9 8.1 13.4 69 91 A Q H <> S+ 0 0 45 -3,-0.8 4,-2.0 2,-0.2 -1,-0.3 0.801 104.1 62.7 -73.8 -28.9 -5.9 5.3 11.8 70 92 A I H >X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 3,-0.7 0.988 109.6 38.1 -58.3 -59.8 -3.0 2.8 12.2 71 93 A H H 3X S+ 0 0 9 -4,-1.8 4,-3.0 1,-0.3 -1,-0.2 0.904 114.3 57.0 -56.8 -41.6 -3.0 3.0 16.0 72 94 A E H 3X S+ 0 0 41 -4,-1.8 4,-1.7 -5,-0.3 -1,-0.3 0.811 103.7 54.8 -59.1 -30.9 -6.8 3.2 15.8 73 95 A G H < S+ 0 0 37 -4,-3.2 3,-2.6 1,-0.2 -2,-0.2 0.939 110.8 54.4 -63.4 -49.6 -11.6 -7.5 19.3 81 103 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.0 52.7 -52.0 -40.3 -9.0 -10.1 20.2 82 104 A N T 3< S+ 0 0 64 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.298 101.5 65.5 -81.0 9.6 -10.0 -9.7 23.9 83 105 A Q S < S+ 0 0 133 -3,-2.6 -1,-0.2 -5,-0.1 3,-0.1 -0.483 73.1 164.3-129.5 63.8 -13.6 -10.4 22.9 84 106 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 140,-0.1 -0.176 45.6 -84.8 -75.3 167.7 -13.6 -14.0 21.7 85 107 A D > - 0 0 70 1,-0.1 3,-2.7 138,-0.0 140,-0.1 -0.464 47.5-104.4 -69.6 146.4 -16.6 -16.4 21.2 86 108 A S T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.1 138,-0.1 0.769 121.0 52.1 -42.3 -35.0 -17.7 -18.2 24.4 87 109 A Q T 3 S+ 0 0 112 135,-0.1 2,-0.3 2,-0.0 84,-0.3 0.634 101.9 69.3 -84.5 -14.7 -16.0 -21.4 23.2 88 110 A L < - 0 0 9 -3,-2.7 2,-0.5 82,-0.1 82,-0.2 -0.807 67.7-148.3-105.9 146.9 -12.6 -19.8 22.4 89 111 A Q E +F 169 0B 69 80,-1.6 80,-3.0 -2,-0.3 2,-0.3 -0.962 32.3 149.3-115.8 120.2 -10.1 -18.5 24.9 90 112 A L E +F 168 0B 1 -2,-0.5 2,-0.3 78,-0.2 78,-0.2 -0.916 10.7 165.9-156.4 122.1 -7.9 -15.6 23.8 91 113 A T E -F 167 0B 44 76,-2.2 76,-3.7 -2,-0.3 2,-0.3 -0.985 9.1-174.9-138.2 148.2 -6.3 -12.7 25.6 92 114 A T E +F 166 0B 8 -2,-0.3 2,-0.3 74,-0.2 74,-0.2 -0.994 12.0 174.8-142.6 137.6 -3.7 -10.1 24.9 93 115 A G E -F 165 0B 12 72,-1.7 72,-2.0 -2,-0.3 2,-0.4 -0.965 19.6-146.3-144.6 158.4 -2.2 -7.5 27.2 94 116 A N E -Fg 164 118B 2 23,-0.6 25,-3.2 -2,-0.3 2,-0.5 -0.985 11.1-174.5-132.1 124.4 0.5 -4.8 27.4 95 117 A G E -Fg 163 119B 0 68,-3.1 68,-2.6 -2,-0.4 2,-0.7 -0.972 10.6-156.4-119.9 128.2 2.5 -3.8 30.4 96 118 A L E -Fg 162 120B 2 23,-3.5 25,-2.8 -2,-0.5 2,-0.8 -0.882 8.5-158.5-106.1 106.5 4.9 -0.8 30.4 97 119 A F E -Fg 161 121B 2 64,-2.5 64,-2.4 -2,-0.7 2,-0.4 -0.749 13.7-173.5 -91.0 110.1 7.6 -1.2 33.1 98 120 A L E -Fg 160 122B 9 23,-3.1 25,-1.6 -2,-0.8 62,-0.2 -0.881 21.5-120.1-111.0 130.9 9.0 2.3 33.9 99 121 A S E > - g 0 123B 28 60,-2.4 3,-1.0 -2,-0.4 2,-0.5 -0.087 41.1 -86.3 -61.9 163.9 12.0 2.9 36.2 100 122 A E T 3 S+ 0 0 127 23,-0.6 -1,-0.1 1,-0.2 3,-0.1 -0.620 111.6 13.5 -78.7 120.4 11.7 5.0 39.4 101 123 A G T 3 S+ 0 0 85 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.316 83.7 145.0 100.7 -7.0 12.2 8.7 38.7 102 124 A L < - 0 0 36 -3,-1.0 2,-1.3 57,-0.1 -1,-0.3 -0.506 47.3-138.5 -66.6 123.4 11.9 8.5 35.0 103 125 A K - 0 0 51 -2,-0.3 198,-0.5 -3,-0.1 199,-0.4 -0.667 26.0-164.1 -88.7 88.1 10.2 11.7 33.7 104 126 A L - 0 0 44 -2,-1.3 2,-0.6 196,-0.1 196,-0.2 -0.206 25.4-105.5 -67.9 159.5 7.8 10.4 31.1 105 127 A V > - 0 0 32 194,-1.9 4,-1.8 1,-0.1 3,-0.3 -0.796 25.8-136.0 -88.0 120.9 6.1 12.5 28.5 106 128 A D H > S+ 0 0 149 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.861 101.1 52.9 -44.6 -48.6 2.4 13.0 29.5 107 129 A K H > S+ 0 0 140 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.942 106.6 51.3 -55.7 -53.7 1.2 12.4 25.9 108 130 A F H > S+ 0 0 4 190,-0.4 4,-2.8 -3,-0.3 5,-0.3 0.924 109.2 50.8 -49.2 -52.5 3.0 9.1 25.4 109 131 A L H X S+ 0 0 50 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.885 114.6 43.5 -54.2 -43.3 1.6 7.7 28.7 110 132 A E H X S+ 0 0 58 -4,-2.0 4,-2.4 -5,-0.2 5,-0.2 0.860 112.4 52.5 -74.2 -37.0 -2.0 8.6 27.6 111 133 A D H X S+ 0 0 37 -4,-3.0 4,-2.7 -5,-0.2 5,-0.4 0.922 111.4 45.6 -63.5 -46.1 -1.6 7.4 24.1 112 134 A V H X S+ 0 0 1 -4,-2.8 6,-2.1 -5,-0.2 4,-1.1 0.844 114.2 49.9 -68.4 -32.6 -0.3 4.0 25.1 113 135 A K H X S+ 0 0 46 -4,-1.5 4,-0.6 -5,-0.3 -2,-0.2 0.927 119.4 35.5 -68.9 -45.4 -3.1 3.7 27.7 114 136 A K H < S+ 0 0 85 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.941 127.6 32.6 -75.3 -50.0 -5.9 4.6 25.3 115 137 A L H < S+ 0 0 39 -4,-2.7 -37,-0.2 -5,-0.2 -3,-0.2 0.695 132.6 27.2 -86.9 -22.0 -4.7 3.0 22.1 116 138 A Y H < S- 0 0 1 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.168 93.0-125.9-128.8 17.6 -2.9 -0.0 23.4 117 139 A H < + 0 0 58 -4,-0.6 -23,-0.6 1,-0.2 -4,-0.2 0.798 49.0 178.2 41.5 35.8 -4.7 -0.7 26.7 118 140 A S E -g 94 0B 14 -6,-2.1 2,-0.5 -25,-0.1 -23,-0.2 -0.436 24.8-141.5 -72.1 138.1 -1.2 -0.6 28.2 119 141 A E E -g 95 0B 92 -25,-3.2 -23,-3.5 -2,-0.2 2,-0.4 -0.900 14.3-141.8 -99.5 124.4 -0.7 -1.0 32.0 120 142 A A E +g 96 0B 53 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.713 22.7 179.3 -86.8 130.3 1.9 1.3 33.6 121 143 A F E -g 97 0B 56 -25,-2.8 -23,-3.1 -2,-0.4 2,-0.5 -0.951 20.5-139.4-126.1 151.3 4.1 -0.2 36.3 122 144 A T E +g 98 0B 89 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.950 30.6 163.1-113.2 124.8 6.9 1.3 38.3 123 145 A V E -g 99 0B 3 -25,-1.6 2,-0.8 -2,-0.5 -23,-0.6 -0.968 38.5-123.1-139.3 153.3 9.9 -0.9 39.1 124 146 A N > - 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