==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/ANTIBIOTICS 15-JUN-09 3HUM . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 4; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR V.NAVRATNA,B.GOPAL . 716 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 20.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 36 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 1 2 2 2 0 0 2 2 0 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 4 4 2 4 4 0 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 . 8 4 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 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 25 A T 0 0 137 0, 0.0 39,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.2 -29.0 13.7 -17.2 2 26 A N - 0 0 75 1,-0.1 39,-0.2 37,-0.1 4,-0.1 -0.122 360.0-109.1 -44.3 132.8 -26.7 16.1 -15.3 3 27 A S - 0 0 40 37,-3.0 -1,-0.1 2,-0.1 36,-0.1 0.056 30.4 -93.3 -60.9 172.7 -25.7 14.7 -11.9 4 28 A D S S+ 0 0 149 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.792 104.4 31.2 -51.1 -39.9 -26.8 15.8 -8.5 5 29 A V S S- 0 0 10 2,-0.0 -2,-0.1 3,-0.0 -1,-0.1 -0.922 77.7-116.9-136.5 143.5 -23.8 18.1 -8.0 6 30 A T > - 0 0 29 -2,-0.3 4,-2.8 1,-0.1 3,-0.5 -0.365 38.8-103.3 -72.7 161.0 -21.5 20.3 -10.0 7 31 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.923 124.2 50.9 -48.5 -43.4 -17.7 19.7 -10.3 8 32 A V H > S+ 0 0 5 2,-0.2 4,-2.4 1,-0.2 11,-0.2 0.879 109.6 49.0 -67.0 -29.9 -17.2 22.6 -7.9 9 33 A Q H > S+ 0 0 89 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.898 109.9 49.7 -77.4 -44.4 -19.7 21.3 -5.3 10 34 A A H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.889 110.4 53.1 -52.9 -43.1 -18.2 17.8 -5.4 11 35 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.3 3,-0.5 0.953 108.5 50.0 -57.9 -50.0 -14.9 19.7 -4.8 12 36 A N H 3<5S+ 0 0 56 -4,-2.4 3,-0.4 1,-0.2 5,-0.4 0.851 114.8 43.3 -53.7 -39.7 -16.5 21.4 -1.8 13 37 A Q H 3<5S+ 0 0 122 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.642 110.6 56.4 -87.2 -13.2 -17.7 18.1 -0.3 14 38 A Y T <<5S- 0 0 62 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.1 -0.360 130.2 -60.3-125.0 57.4 -14.6 16.1 -1.0 15 39 A G T 5S+ 0 0 74 -3,-0.4 -3,-0.2 -2,-0.2 -4,-0.1 0.246 117.1 81.6 102.2 -11.7 -11.7 17.8 0.7 16 40 A Y > < + 0 0 72 -5,-2.3 3,-1.7 -6,-0.2 -3,-0.2 -0.217 46.0 162.0-123.5 44.9 -11.6 21.2 -1.1 17 41 A A T 3 + 0 0 80 -5,-0.4 3,-0.1 1,-0.3 -5,-0.1 -0.313 68.5 52.0 -47.0 142.7 -14.3 23.4 0.7 18 42 A G T 3 S+ 0 0 78 1,-0.4 2,-0.5 0, 0.0 -1,-0.3 0.375 71.1 123.9 106.8 -16.3 -13.2 26.8 -0.4 19 43 A L < - 0 0 15 -3,-1.7 -1,-0.4 -11,-0.2 -7,-0.1 -0.763 58.0-134.4 -80.2 128.1 -13.0 26.3 -4.1 20 44 A S > - 0 0 60 -2,-0.5 3,-1.6 -3,-0.1 4,-0.0 -0.346 15.9-109.9 -90.0 167.4 -15.2 28.9 -5.6 21 45 A A G > S+ 0 0 76 1,-0.3 3,-1.9 2,-0.2 -13,-0.1 0.637 105.6 82.3 -64.4 -16.9 -17.9 28.8 -8.4 22 46 A A G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -14,-0.0 248,-0.0 0.712 88.1 53.8 -67.7 -18.3 -15.6 30.8 -10.6 23 47 A Y G < S+ 0 0 37 -3,-1.6 242,-1.0 241,-0.1 -1,-0.3 0.336 72.8 135.6 -96.0 5.5 -13.7 27.6 -11.5 24 48 A E < - 0 0 50 -3,-1.9 2,-0.1 240,-0.2 252,-0.0 -0.279 51.3-133.3 -55.7 136.7 -16.8 25.6 -12.7 25 49 A P - 0 0 6 0, 0.0 239,-0.3 0, 0.0 238,-0.2 -0.470 16.0-111.4 -91.1 167.5 -15.8 23.9 -15.9 26 50 A T S S- 0 0 32 236,-0.8 2,-0.3 237,-0.2 237,-0.2 0.904 93.2 -21.8 -53.1 -42.1 -17.6 23.7 -19.2 27 51 A S E -A 262 0A 0 235,-2.1 235,-1.5 16,-0.1 2,-0.3 -0.984 53.5-166.3-164.1 173.0 -18.0 20.0 -18.5 28 52 A A E -AB 261 41A 0 13,-2.2 13,-2.1 -2,-0.3 2,-0.3 -0.944 5.1-176.9-168.7 146.3 -17.0 16.8 -16.8 29 53 A V E -AB 260 40A 0 231,-2.6 231,-2.0 -2,-0.3 2,-0.4 -0.998 11.6-166.9-151.7 141.6 -17.5 13.1 -16.9 30 54 A N E +AB 259 39A 0 9,-2.1 8,-3.3 -2,-0.3 9,-1.6 -0.990 18.0 173.6-126.6 126.5 -16.6 9.9 -15.1 31 55 A V E -AB 258 37A 0 227,-2.4 227,-3.2 -2,-0.4 6,-0.2 -1.000 29.4-122.7-133.2 132.3 -17.2 6.6 -16.8 32 56 A S E > -A 257 0A 1 4,-2.4 3,-2.7 -2,-0.4 225,-0.3 -0.272 32.3-106.5 -63.5 159.4 -16.1 3.2 -15.5 33 57 A Q T 3 S+ 0 0 43 223,-2.6 -1,-0.1 1,-0.3 224,-0.1 0.746 123.5 63.5 -65.2 -16.1 -14.0 1.0 -17.8 34 58 A T T 3 S- 0 0 31 222,-0.3 -1,-0.3 2,-0.1 317,-0.3 0.574 121.4-110.1 -81.1 -3.5 -17.1 -1.1 -18.3 35 59 A G S < S+ 0 0 0 -3,-2.7 311,-2.8 1,-0.3 2,-0.6 0.550 70.3 140.7 93.5 4.4 -18.7 2.0 -19.9 36 60 A Q B -E 345 0B 0 309,-0.3 -4,-2.4 310,-0.1 -1,-0.3 -0.749 54.6-123.0 -81.5 122.7 -21.3 2.9 -17.2 37 61 A L E +B 31 0A 11 307,-2.0 307,-0.4 -2,-0.6 -6,-0.3 -0.429 33.9 173.1 -60.8 130.1 -21.6 6.6 -16.7 38 62 A L E + 0 0 10 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.563 68.1 12.1-116.5 -17.6 -20.9 7.5 -13.1 39 63 A Y E -B 30 0A 4 -9,-1.6 -9,-2.1 -36,-0.1 -1,-0.4 -0.897 66.4-174.6-155.2 130.0 -20.9 11.2 -13.1 40 64 A Q E +B 29 0A 13 -2,-0.3 -37,-3.0 -11,-0.2 2,-0.3 -0.988 11.4 168.9-136.3 136.7 -22.1 13.5 -15.8 41 65 A Y E S-B 28 0A 35 -13,-2.1 -13,-2.2 -2,-0.4 140,-0.1 -0.897 80.4 -36.2-141.3 107.4 -22.0 17.3 -16.3 42 66 A N S > S+ 0 0 57 -2,-0.3 3,-1.7 -15,-0.2 139,-0.3 0.861 78.1 169.6 45.5 45.8 -22.8 18.9 -19.7 43 67 A I T 3 + 0 0 6 1,-0.3 139,-2.8 -15,-0.1 140,-0.4 0.640 67.1 49.9 -68.4 -13.7 -21.1 15.9 -21.3 44 68 A D T 3 S+ 0 0 73 137,-0.2 2,-0.3 136,-0.1 -1,-0.3 0.425 80.1 115.9-105.4 1.0 -22.3 16.7 -24.8 45 69 A T < - 0 0 64 -3,-1.7 136,-0.6 -19,-0.1 137,-0.1 -0.570 69.3-116.9 -73.6 132.2 -21.3 20.3 -24.9 46 70 A K E +F 180 0C 112 -2,-0.3 2,-0.3 134,-0.2 134,-0.2 -0.314 41.8 164.6 -73.3 145.6 -18.6 21.1 -27.5 47 71 A W E -F 179 0C 67 132,-3.3 132,-2.2 -2,-0.1 195,-0.1 -0.997 44.1 -97.4-159.8 153.5 -15.2 22.3 -26.5 48 72 A N - 0 0 19 -2,-0.3 215,-0.2 193,-0.2 130,-0.2 -0.683 27.1-165.4 -74.2 114.1 -11.7 22.8 -27.7 49 73 A P > - 0 0 0 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.713 21.1-179.2 -73.4 -15.7 -9.7 19.8 -26.4 50 74 A A G > + 0 0 4 1,-0.3 3,-2.4 107,-0.2 4,-0.2 -0.269 69.1 1.1 51.8-137.8 -6.5 21.7 -27.2 51 75 A S G > S+ 0 0 13 187,-0.3 3,-2.0 1,-0.3 4,-0.3 0.663 116.7 80.0 -58.5 -21.3 -3.5 19.5 -26.3 52 76 A M G X S+ 0 0 0 -3,-2.4 3,-1.4 1,-0.3 4,-0.5 0.703 77.6 78.4 -59.8 -13.8 -5.7 16.5 -25.2 53 77 A T G X> S+ 0 0 0 -3,-2.4 3,-1.3 103,-0.3 4,-1.3 0.857 77.9 70.2 -56.4 -34.2 -5.8 16.1 -29.0 54 78 A K H <> S+ 0 0 1 -3,-2.0 4,-2.4 102,-0.6 -1,-0.3 0.766 84.8 68.0 -58.0 -24.7 -2.4 14.5 -28.7 55 79 A L H <> S+ 0 0 0 -3,-1.4 4,-3.0 -4,-0.3 -1,-0.3 0.885 98.2 49.6 -62.7 -40.0 -4.0 11.5 -26.9 56 80 A M H <> S+ 0 0 0 -3,-1.3 4,-1.8 -4,-0.5 -1,-0.2 0.880 111.0 51.6 -62.9 -39.0 -5.8 10.5 -30.2 57 81 A T H X S+ 0 0 0 -4,-1.3 4,-1.7 98,-0.3 -2,-0.2 0.864 111.2 45.9 -67.1 -40.6 -2.4 10.8 -32.0 58 82 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.927 110.3 54.8 -64.1 -46.7 -0.7 8.6 -29.4 59 83 A Y H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 -2,-0.2 0.872 109.7 45.4 -54.4 -39.7 -3.5 6.1 -29.6 60 84 A L H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.814 109.3 56.9 -78.5 -28.2 -3.2 5.8 -33.4 61 85 A T H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.935 109.0 44.6 -62.3 -46.9 0.6 5.5 -33.1 62 86 A L H X S+ 0 0 2 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.663 110.2 56.4 -74.1 -19.8 0.3 2.5 -30.7 63 87 A E H X S+ 0 0 30 -4,-0.9 4,-2.5 -5,-0.2 6,-0.2 0.887 103.9 52.1 -72.1 -46.8 -2.3 1.0 -33.0 64 88 A A H <>S+ 0 0 3 -4,-2.2 5,-2.4 1,-0.2 6,-0.7 0.908 112.7 47.7 -53.2 -39.2 0.1 1.2 -35.8 65 89 A V H ><5S+ 0 0 33 -4,-1.9 3,-1.0 4,-0.2 -1,-0.2 0.884 109.0 51.3 -69.2 -39.7 2.5 -0.7 -33.5 66 90 A N H 3<5S+ 0 0 101 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.886 109.0 51.8 -65.4 -36.9 -0.2 -3.3 -32.5 67 91 A K T 3<5S- 0 0 129 -4,-2.5 -1,-0.3 -5,-0.0 -2,-0.2 0.462 118.1-117.0 -72.1 -6.6 -0.8 -3.9 -36.2 68 92 A G T < 5S+ 0 0 63 -3,-1.0 -3,-0.2 2,-0.2 -2,-0.1 0.679 83.6 118.7 79.9 16.1 2.9 -4.4 -36.6 69 93 A Q S - 0 0 52 -2,-0.3 3,-2.0 1,-0.1 33,-0.4 -0.918 17.1-138.5-119.3 139.5 8.1 -0.3 -33.8 72 96 A L T 3 S+ 0 0 40 -2,-0.4 33,-2.2 1,-0.3 32,-0.5 0.874 111.1 59.7 -55.0 -28.9 8.6 1.5 -30.5 73 97 A D T 3 S+ 0 0 127 31,-0.2 -1,-0.3 30,-0.2 -3,-0.0 0.617 79.9 106.9 -67.8 -25.9 12.2 0.8 -31.4 74 98 A D < - 0 0 58 -3,-2.0 30,-1.8 29,-0.1 2,-0.3 -0.160 57.9-145.9 -59.3 159.4 12.2 2.7 -34.7 75 99 A T E -G 103 0D 70 28,-0.2 2,-0.4 29,-0.1 28,-0.2 -0.815 13.2-155.5-126.9 164.9 14.1 6.0 -34.8 76 100 A V E -G 102 0D 23 26,-1.8 26,-2.9 -2,-0.3 2,-0.5 -0.994 17.2-144.5-135.1 128.9 13.7 9.2 -36.6 77 101 A T E -G 101 0D 76 -2,-0.4 2,-0.3 24,-0.2 24,-0.2 -0.864 23.1-123.0-100.5 135.8 16.8 11.3 -37.0 78 102 A M - 0 0 4 22,-3.1 21,-3.0 -2,-0.5 2,-0.2 -0.591 28.1-174.4 -84.3 139.5 16.2 15.0 -36.8 79 103 A T >> - 0 0 73 -2,-0.3 4,-1.4 19,-0.2 3,-0.9 -0.612 49.8 -84.1-110.0 179.7 17.1 17.3 -39.6 80 104 A N H 3> S+ 0 0 111 1,-0.2 4,-1.8 -2,-0.2 5,-0.2 0.763 126.0 63.9 -56.7 -26.2 16.8 21.2 -39.6 81 105 A K H 3> S+ 0 0 96 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 101.4 47.4 -70.3 -38.4 13.1 20.9 -40.5 82 106 A E H <> S+ 0 0 25 -3,-0.9 4,-2.7 2,-0.2 14,-0.2 0.871 108.5 57.4 -65.2 -34.9 12.2 19.1 -37.2 83 107 A Y H < S+ 0 0 72 -4,-1.4 4,-0.3 2,-0.2 13,-0.2 0.910 108.0 46.1 -59.5 -45.3 14.2 21.8 -35.3 84 108 A I H >< S+ 0 0 86 -4,-1.8 3,-1.5 1,-0.2 4,-0.4 0.923 112.8 51.4 -61.0 -47.4 12.0 24.5 -36.9 85 109 A M H >< S+ 0 0 4 -4,-2.0 3,-1.5 1,-0.3 -2,-0.2 0.947 106.9 52.4 -50.9 -49.0 9.0 22.4 -36.1 86 110 A S T 3< S+ 0 0 3 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.535 112.8 47.0 -74.3 -1.5 10.1 22.1 -32.5 87 111 A T T < S+ 0 0 56 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.197 72.3 145.9-127.6 12.1 10.4 25.9 -32.3 88 112 A L X - 0 0 13 -3,-1.5 3,-1.3 -4,-0.4 29,-0.1 -0.200 61.3 -93.1 -41.6 134.4 7.2 27.2 -33.8 89 113 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.265 100.0 1.8 -58.8 138.7 6.1 30.4 -32.0 90 114 A E T 3 S+ 0 0 159 1,-0.2 2,-0.4 -3,-0.1 -2,-0.1 0.579 100.2 120.1 71.9 10.8 3.7 30.1 -29.1 91 115 A L < - 0 0 24 -3,-1.3 -1,-0.2 71,-0.1 25,-0.0 -0.897 70.0-108.6-116.0 139.9 3.5 26.3 -29.1 92 116 A S + 0 0 50 -2,-0.4 25,-2.0 -3,-0.1 2,-0.3 -0.327 63.5 129.1 -65.8 143.6 4.3 23.8 -26.4 93 117 A N - 0 0 30 23,-0.3 2,-0.3 24,-0.1 23,-0.1 -0.978 51.0-129.0 176.1 160.0 7.5 22.0 -27.5 94 118 A T - 0 0 20 -2,-0.3 2,-0.1 118,-0.0 24,-0.1 -0.984 47.1 -92.1-137.9 144.5 10.9 20.9 -26.6 95 119 A K - 0 0 105 -2,-0.3 2,-0.7 1,-0.1 -12,-0.1 -0.362 31.4-158.3 -69.6 130.5 13.9 21.5 -28.9 96 120 A L - 0 0 0 -13,-0.2 -10,-0.2 -14,-0.2 -11,-0.1 -0.891 14.4-150.6-113.7 101.8 14.7 18.8 -31.4 97 121 A Y > - 0 0 118 -2,-0.7 3,-2.3 1,-0.1 -19,-0.3 -0.551 21.5-110.4 -81.0 126.3 18.3 19.3 -32.5 98 122 A P T 3 S+ 0 0 59 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.240 108.6 35.3 -53.8 141.2 19.4 18.2 -36.0 99 123 A G T 3 S+ 0 0 57 -21,-3.0 -20,-0.1 1,-0.4 -2,-0.0 -0.198 88.9 119.3 101.0 -44.3 21.6 15.1 -35.6 100 124 A Q < - 0 0 44 -3,-2.3 -22,-3.1 -23,-0.1 2,-0.5 -0.284 54.2-148.4 -52.3 140.9 19.6 13.8 -32.6 101 125 A V E -G 77 0D 72 -24,-0.2 2,-0.4 -3,-0.1 -24,-0.2 -0.980 16.0-168.1-117.0 125.5 18.0 10.4 -33.2 102 126 A W E -G 76 0D 2 -26,-2.9 -26,-1.8 -2,-0.5 2,-0.1 -0.917 15.2-131.7-117.7 136.9 14.7 9.8 -31.3 103 127 A T E > -G 75 0D 36 -2,-0.4 4,-2.5 -28,-0.2 5,-0.2 -0.482 26.0-117.7 -74.6 155.9 12.8 6.5 -30.8 104 128 A I H > S+ 0 0 0 -30,-1.8 4,-2.8 -32,-0.5 5,-0.2 0.957 120.4 57.4 -51.8 -47.2 9.1 6.3 -31.4 105 129 A A H > S+ 0 0 24 -33,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.907 107.5 45.1 -51.3 -47.0 9.0 5.5 -27.7 106 130 A D H > S+ 0 0 39 -34,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.847 111.3 51.2 -72.6 -33.8 10.7 8.7 -26.8 107 131 A L H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.878 110.2 51.4 -67.9 -36.2 8.5 10.8 -29.2 108 132 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.959 108.1 53.8 -60.4 -43.4 5.4 9.3 -27.6 109 133 A Q H X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.855 111.8 41.1 -63.9 -37.5 6.8 10.2 -24.1 110 134 A I H X S+ 0 0 0 -4,-1.5 6,-1.9 2,-0.2 4,-1.5 0.750 106.6 64.8 -87.7 -19.6 7.3 13.9 -24.9 111 135 A T H < S+ 0 0 0 -4,-1.5 4,-0.4 4,-0.2 -2,-0.2 0.944 116.9 28.2 -60.6 -49.1 4.0 14.0 -26.8 112 136 A V H < S+ 0 0 14 -4,-2.1 3,-0.4 3,-0.2 124,-0.3 0.974 127.8 41.2 -76.7 -52.4 2.3 13.3 -23.4 113 137 A S H < S+ 0 0 5 -4,-2.8 104,-0.2 1,-0.2 -3,-0.2 0.772 132.7 20.4 -67.4 -35.2 4.8 14.8 -20.9 114 138 A N S < S- 0 0 23 -4,-1.5 -1,-0.2 -5,-0.3 3,-0.2 0.373 96.5-123.3-110.9 -1.5 5.7 18.0 -22.7 115 139 A S - 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0 0 5 -4,-0.4 2,-0.5 -5,-0.3 -4,-0.2 0.917 41.0-162.8 51.2 48.1 19.6 -0.5 -6.2 475 140 B S > - 0 0 0 -6,-1.9 4,-1.8 1,-0.2 -23,-0.2 -0.420 20.5-166.9 -73.3 114.0 17.0 -3.2 -6.1 476 141 B N H > S+ 0 0 4 -25,-2.1 4,-1.8 -2,-0.5 5,-0.2 0.946 88.2 50.0 -62.2 -47.8 18.5 -6.5 -4.7 477 142 B A H > S+ 0 0 0 -26,-0.3 4,-3.4 1,-0.2 5,-0.3 0.938 108.2 53.4 -58.8 -47.4 15.6 -8.6 -5.9 478 143 B A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.915 108.3 48.8 -56.4 -42.1 15.7 -7.2 -9.4 479 144 B A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.863 114.1 47.7 -69.6 -30.0 19.3 -8.0 -9.8 480 145 B L H X S+ 0 0 2 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.917 111.5 48.7 -68.2 -45.9 18.6 -11.5 -8.5 481 146 B I H X S+ 0 0 7 -4,-3.4 4,-1.1 1,-0.2 -2,-0.2 0.897 112.0 50.6 -65.4 -36.0 15.7 -12.0 -10.8 482 147 B L H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 3,-0.4 0.896 104.7 55.3 -69.7 -39.2 17.7 -10.8 -13.7 483 148 B A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.880 108.2 51.5 -55.8 -38.3 20.6 -13.2 -13.0 484 149 B K H < S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.738 108.1 50.7 -78.2 -19.0 18.1 -16.0 -13.1 485 150 B K H < S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.746 115.3 42.1 -79.5 -28.3 16.7 -14.8 -16.5 486 151 B V H < S+ 0 0 23 -4,-1.7 2,-0.3 -5,-0.1 -2,-0.2 0.851 125.2 23.8 -86.2 -36.5 20.2 -14.6 -18.1 487 152 B S S < S- 0 0 22 -4,-2.3 -1,-0.1 -5,-0.2 6,-0.0 -0.793 84.1-106.4-127.1 165.7 21.6 -17.8 -16.6 488 153 B K S S- 0 0 191 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.936 99.1 -2.7 -59.7 -52.6 20.1 -21.1 -15.3 489 154 B N S > S- 0 0 67 -6,-0.1 4,-1.5 1,-0.0 5,-0.1 -0.781 81.5 -98.6-134.6-179.4 20.8 -20.4 -11.7 490 155 B T H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.838 117.5 60.5 -80.0 -22.4 22.4 -17.7 -9.8 491 156 B S H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.898 105.0 48.3 -69.4 -41.4 25.7 -19.5 -9.5 492 157 B D H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.880 110.0 53.9 -60.8 -41.0 26.2 -19.7 -13.3 493 158 B F H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.943 108.3 47.9 -63.5 -43.0 25.3 -16.1 -13.4 494 159 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.901 108.8 54.3 -65.6 -34.7 28.1 -15.3 -10.9 495 160 B D H X S+ 0 0 33 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.919 107.4 52.0 -58.7 -41.1 30.5 -17.5 -12.9 496 161 B L H X S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.891 106.6 52.3 -62.3 -39.8 29.6 -15.3 -15.9 497 162 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.936 115.1 42.4 -59.7 -50.0 30.4 -12.1 -13.9 498 163 B N H X S+ 0 0 11 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.928 113.1 50.9 -66.2 -44.0 33.9 -13.5 -13.0 499 164 B N H X S+ 0 0 95 -4,-3.5 4,-2.7 1,-0.2 -2,-0.2 0.933 112.0 48.7 -56.7 -43.1 34.5 -14.9 -16.5 500 165 B K H X S+ 0 0 31 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.917 108.8 53.4 -63.6 -41.1 33.6 -11.5 -17.9 501 166 B A H X>S+ 0 0 3 -4,-2.2 5,-2.6 -5,-0.2 4,-0.9 0.941 111.5 45.6 -56.1 -46.2 36.0 -9.9 -15.3 502 167 B K H ><5S+ 0 0 156 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.949 110.7 54.2 -64.0 -46.2 38.8 -12.1 -16.5 503 168 B A H 3<5S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 112.7 39.5 -58.8 -38.1 38.1 -11.5 -20.2 504 169 B I H 3<5S- 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.535 120.0-102.8 -99.4 -0.0 38.2 -7.7 -20.1 505 170 B G T <<5 + 0 0 19 -4,-0.9 2,-1.6 -3,-0.7 -3,-0.2 0.830 64.2 152.1 92.2 31.2 41.1 -7.5 -17.7 506 171 B M > < + 0 0 3 -5,-2.6 3,-1.5 -6,-0.2 -1,-0.2 -0.659 20.2 172.0 -84.6 75.3 39.6 -6.6 -14.3 507 172 B K T 3 + 0 0 176 -2,-1.6 -1,-0.2 1,-0.3 -5,-0.1 0.819 69.2 46.0 -65.7 -29.1 42.6 -8.5 -12.7 508 173 B N T 3 S+ 0 0 58 -3,-0.2 2,-0.3 -7,-0.1 -1,-0.3 0.143 93.0 102.4-100.8 24.3 41.7 -7.4 -9.2 509 174 B T < + 0 0 15 -3,-1.5 2,-0.3 29,-0.1 29,-0.2 -0.802 36.4 171.3-113.6 146.6 38.0 -8.2 -9.2 510 175 B H B -W 537 0O 70 27,-2.6 27,-2.2 -2,-0.3 2,-0.3 -0.896 11.5-162.6-153.8 124.8 35.9 -11.0 -7.8 511 176 B F - 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