==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-09 3A6F . COMPND 2 MOLECULE: CREATININE AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.NAKAJIMA,K.YAMASHITA,K.ITO,T.YOSHIMOTO . 1542 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1088 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 3.5 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 . 3 0.2 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 . 6 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 . 108 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 532 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 6 0 0 6 0 6 6 0 0 0 0 0 0 11 7 0 0 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 6 0 0 5 7 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 . 15 0 6 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 3 0 0 0 6 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 2 A S 0 0 18 0, 0.0 1481,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 142.5 88.7 -75.6 -4.5 2 3 A K + 0 0 159 7,-0.1 2,-0.3 2,-0.1 3,-0.0 -0.285 360.0 127.3 -54.4 125.0 87.0 -78.4 -6.4 3 4 A S - 0 0 35 1,-0.1 6,-0.0 3,-0.0 0, 0.0 -0.948 69.3-115.2-170.7 161.0 84.9 -80.3 -3.9 4 5 A V S S+ 0 0 22 -2,-0.3 59,-3.6 58,-0.1 2,-0.6 0.719 94.1 90.6 -80.2 -20.0 81.2 -81.4 -3.6 5 6 A F B > -a 63 0A 45 57,-0.2 3,-1.3 1,-0.2 4,-0.4 -0.664 68.8-152.4 -82.4 118.4 80.9 -79.1 -0.7 6 7 A V G > S+ 0 0 0 57,-2.5 3,-1.8 -2,-0.6 1324,-0.5 0.868 94.4 62.9 -54.2 -41.2 79.7 -75.6 -1.6 7 8 A G G 3 S+ 0 0 3 56,-0.5 1324,-1.9 1,-0.3 1323,-0.5 0.810 102.0 51.6 -57.3 -28.3 81.4 -74.1 1.4 8 9 A E G < S+ 0 0 67 -3,-1.3 -1,-0.3 1321,-0.2 2,-0.2 0.510 95.8 87.9 -88.4 -3.6 84.8 -75.2 -0.0 9 10 A L S < S- 0 0 5 -3,-1.8 1321,-1.7 -4,-0.4 2,-0.2 -0.572 78.6-121.4 -92.6 156.4 84.3 -73.7 -3.5 10 11 A T > - 0 0 1 1319,-0.3 4,-1.8 -2,-0.2 3,-0.2 -0.523 37.0-106.0 -84.3 165.3 85.2 -70.1 -4.5 11 12 A W H > S+ 0 0 14 1314,-0.7 4,-2.6 1317,-0.4 5,-0.1 0.781 121.7 56.6 -67.0 -23.3 82.1 -68.2 -5.7 12 13 A K H > S+ 0 0 72 1313,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.876 105.4 49.4 -73.7 -37.5 83.4 -68.5 -9.3 13 14 A E H > S+ 0 0 17 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.891 115.6 44.8 -66.5 -38.1 83.5 -72.3 -9.1 14 15 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.920 113.0 49.9 -69.9 -45.9 79.9 -72.3 -7.7 15 16 A E H X S+ 0 0 69 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.904 109.1 53.1 -59.6 -42.1 78.8 -69.7 -10.3 16 17 A A H X S+ 0 0 63 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.898 109.7 48.0 -61.8 -41.1 80.3 -71.9 -13.0 17 18 A R H >< S+ 0 0 90 -4,-1.6 3,-0.9 2,-0.2 4,-0.4 0.934 113.4 46.0 -66.9 -45.3 78.4 -75.0 -11.8 18 19 A V H >< S+ 0 0 19 -4,-2.5 3,-1.6 1,-0.3 5,-0.3 0.893 108.0 57.1 -63.7 -39.6 75.1 -73.2 -11.6 19 20 A A H 3< S+ 0 0 83 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.692 87.7 82.4 -64.1 -17.9 75.6 -71.6 -15.0 20 21 A A T << S- 0 0 74 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.796 104.6-119.0 -57.8 -33.1 76.0 -75.2 -16.3 21 22 A G S < S+ 0 0 59 -3,-1.6 -1,-0.1 -4,-0.4 -3,-0.1 -0.275 90.0 35.8 128.6 -54.8 72.2 -75.4 -16.5 22 23 A D + 0 0 75 -5,-0.2 2,-0.2 88,-0.1 -4,-0.1 -0.385 69.8 166.6-134.3 57.3 70.8 -78.1 -14.3 23 24 A C - 0 0 11 -5,-0.3 2,-0.5 -6,-0.1 88,-0.5 -0.508 25.9-143.1 -73.5 138.2 73.0 -78.1 -11.2 24 25 A V - 0 0 13 36,-0.4 38,-2.6 -2,-0.2 2,-0.4 -0.916 12.7-162.3-108.1 126.2 71.6 -80.1 -8.2 25 26 A L E -bc 62 113A 0 87,-2.6 89,-2.8 -2,-0.5 2,-0.4 -0.857 1.3-158.5-107.2 143.4 72.1 -78.7 -4.7 26 27 A M E -bc 63 114A 0 36,-2.4 38,-3.6 -2,-0.4 89,-0.2 -0.960 2.7-165.0-122.3 139.0 71.8 -80.8 -1.5 27 28 A L E - c 0 115A 1 87,-3.0 89,-1.8 -2,-0.4 2,-0.2 -0.929 10.2-148.8-129.8 109.3 71.1 -79.4 2.0 28 29 A P E - c 0 116A 1 0, 0.0 39,-2.4 0, 0.0 2,-0.5 -0.530 11.0-164.6 -73.4 137.5 71.6 -81.6 5.1 29 30 A V E +dc 67 117A 0 87,-2.5 89,-2.9 37,-0.2 90,-0.7 -0.954 25.4 143.9-127.9 111.9 69.3 -80.8 8.0 30 31 A G - 0 0 1 37,-2.4 2,-0.3 -2,-0.5 15,-0.2 0.017 31.5-129.9-118.3-136.7 70.3 -82.2 11.4 31 32 A A - 0 0 3 38,-0.2 2,-0.7 11,-0.1 14,-0.3 -0.964 21.3-114.8-175.8 164.4 70.3 -81.5 15.1 32 33 A L B +G 87 0B 1 55,-0.6 55,-2.2 -2,-0.3 2,-0.3 -0.961 59.4 148.8-112.9 103.7 72.4 -81.4 18.2 33 34 A E - 0 0 1 8,-2.3 10,-0.3 -2,-0.7 11,-0.2 -0.995 51.9 -97.7-143.5 145.9 70.7 -84.1 20.3 34 35 A Q - 0 0 0 -2,-0.3 6,-0.1 50,-0.2 3,-0.1 -0.283 30.3-173.4 -61.0 147.1 71.7 -86.6 22.9 35 36 A H > - 0 0 0 1,-0.6 4,-0.7 4,-0.5 3,-0.3 -0.284 46.9 -85.9-139.1 49.8 72.3 -90.1 21.6 36 37 A G T 4 - 0 0 0 187,-0.3 1264,-0.7 1,-0.2 -1,-0.6 -0.166 60.5 -60.1 78.8-173.5 72.8 -92.3 24.6 37 38 A H T 4 S+ 0 0 54 161,-0.2 -1,-0.2 1,-0.2 162,-0.1 0.591 129.7 54.2 -83.9 -11.9 76.0 -93.0 26.7 38 39 A H T 4 S+ 0 0 5 -3,-0.3 157,-2.2 160,-0.1 2,-0.3 0.589 101.8 50.1-101.8 -12.2 77.7 -94.5 23.6 39 40 A M B < S-H 194 0C 0 -4,-0.7 -4,-0.5 155,-0.2 1261,-0.4 -0.895 76.0-107.6-130.2 160.6 77.6 -91.8 20.9 40 41 A C > - 0 0 1 153,-1.0 3,-0.5 -2,-0.3 1259,-0.2 -0.212 32.1-115.8 -74.7 171.1 78.2 -88.1 20.3 41 42 A M T 3 S+ 0 0 0 1257,-1.5 -8,-2.3 1254,-0.5 3,-0.3 0.512 101.8 67.4 -91.3 -6.5 75.5 -85.5 19.9 42 43 A N T >> + 0 0 22 1254,-1.9 4,-2.5 -10,-0.2 3,-2.1 0.197 62.4 117.8 -97.9 18.9 76.0 -84.3 16.3 43 44 A V H <> + 0 0 0 -3,-0.5 4,-2.7 -10,-0.3 -1,-0.2 0.898 69.7 57.9 -49.5 -47.4 75.0 -87.7 14.8 44 45 A D H 34 S+ 0 0 4 -3,-0.3 -1,-0.3 -13,-0.2 -15,-0.1 0.589 112.8 40.7 -64.1 -9.4 72.0 -86.2 13.0 45 46 A V H <> S+ 0 0 10 -3,-2.1 4,-1.6 -14,-0.3 -1,-0.2 0.793 114.2 50.9-100.1 -48.4 74.3 -83.8 11.2 46 47 A L H X S+ 0 0 25 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.900 109.1 50.0 -57.1 -46.8 77.1 -86.2 10.5 47 48 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.955 111.9 41.9 -65.1 -54.1 75.0 -89.0 8.9 48 49 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.854 115.5 53.6 -64.0 -27.9 72.9 -87.1 6.4 49 50 A T H X S+ 0 0 31 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.900 107.5 49.6 -69.8 -40.4 76.1 -85.1 5.4 50 51 A A H X S+ 0 0 4 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.881 112.8 47.4 -65.6 -38.0 78.1 -88.3 4.8 51 52 A V H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.944 111.9 50.3 -68.3 -45.3 75.3 -89.7 2.6 52 53 A C H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.881 107.4 54.6 -58.2 -41.5 75.1 -86.3 0.7 53 54 A K H X S+ 0 0 69 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.937 112.4 42.2 -59.9 -47.5 78.8 -86.3 0.1 54 55 A R H X S+ 0 0 78 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.917 115.9 47.7 -68.2 -44.6 78.7 -89.8 -1.5 55 56 A V H >X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.8 0.971 111.6 51.6 -59.4 -52.2 75.6 -89.2 -3.5 56 57 A A H 3X>S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.3 5,-1.4 0.878 108.0 51.9 -51.9 -42.6 77.0 -85.9 -4.7 57 58 A E H 3<5S+ 0 0 109 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.814 112.9 46.0 -65.6 -30.4 80.2 -87.5 -5.8 58 59 A R H <<5S+ 0 0 112 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.799 124.8 27.4 -84.0 -31.5 78.3 -90.1 -7.8 59 60 A I H <5S- 0 0 46 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.407 108.6-110.0-111.5 0.7 75.8 -87.9 -9.6 60 61 A G T <5 + 0 0 41 -4,-1.6 -36,-0.4 -5,-0.3 -3,-0.2 0.906 66.4 142.1 74.3 42.9 77.8 -84.7 -9.7 61 62 A A < - 0 0 1 -5,-1.4 2,-0.4 -6,-0.2 -36,-0.2 -0.535 45.2-120.9-106.3 176.0 75.7 -82.6 -7.3 62 63 A L E - b 0 25A 2 -38,-2.6 -36,-2.4 -2,-0.2 2,-0.5 -0.926 15.3-137.8-121.0 146.8 76.9 -80.0 -4.7 63 64 A V E -ab 5 26A 1 -59,-3.6 -57,-2.5 -2,-0.4 -56,-0.5 -0.914 13.1-146.3-110.9 121.8 76.3 -80.1 -0.9 64 65 A M - 0 0 2 -38,-3.6 2,-0.0 -2,-0.5 -60,-0.0 -0.295 41.8 -79.0 -75.1 161.6 75.3 -76.9 1.0 65 66 A P - 0 0 15 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.414 59.2-114.0 -61.2 140.0 76.5 -76.3 4.6 66 67 A G - 0 0 8 -39,-0.1 2,-0.6 -3,-0.1 1291,-0.2 -0.422 18.1-111.5 -80.7 152.8 74.3 -78.4 6.9 67 68 A L B -d 29 0A 12 -39,-2.4 -37,-2.4 1,-0.2 -1,-0.1 -0.745 28.9-165.8 -81.4 122.1 71.9 -77.0 9.4 68 69 A Q + 0 0 38 -2,-0.6 2,-0.4 1287,-0.2 -1,-0.2 0.683 66.6 57.0 -83.3 -22.7 73.4 -77.9 12.8 69 70 A Y - 0 0 7 -38,-0.2 -38,-0.2 -39,-0.1 2,-0.2 -0.940 65.8-179.7-117.5 134.6 70.4 -77.3 15.0 70 71 A G - 0 0 0 -2,-0.4 19,-3.0 17,-0.4 3,-0.1 -0.518 34.4 -59.8-120.6-171.8 66.9 -78.8 14.6 71 72 A Y B S-i 89 0D 0 17,-0.2 -1,-0.2 -41,-0.2 50,-0.2 -0.244 74.0 -66.3 -69.8 158.3 63.5 -78.9 16.1 72 73 A K - 0 0 11 17,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.108 56.4-110.3 -46.1 129.9 62.7 -79.9 19.7 73 74 A S - 0 0 3 -3,-0.1 8,-0.9 7,-0.1 2,-0.4 -0.424 31.8-141.8 -65.3 132.8 63.4 -83.5 20.5 74 75 A Q >>> - 0 0 24 6,-0.3 4,-3.5 -2,-0.1 3,-1.4 -0.802 13.4-125.3-101.7 142.0 60.2 -85.5 21.1 75 76 A Q H 3>5S+ 0 0 12 -2,-0.4 4,-0.9 4,-0.3 -1,-0.1 0.881 108.4 46.4 -49.0 -48.8 60.0 -88.2 23.7 76 77 A K H 345S+ 0 0 61 1,-0.1 -1,-0.3 2,-0.1 131,-0.1 0.578 127.0 26.0 -74.9 -11.3 58.8 -90.9 21.3 77 78 A S H <45S+ 0 0 24 -3,-1.4 -2,-0.2 98,-0.1 -1,-0.1 0.717 138.7 13.0-120.7 -37.8 61.4 -90.2 18.6 78 79 A G H <5S- 0 0 0 -4,-3.5 -3,-0.2 147,-0.1 -2,-0.1 0.290 102.9-101.4-125.4 8.4 64.4 -88.6 20.2 79 80 A G S < - 0 0 1 -6,-0.6 3,-1.0 1,-0.1 -6,-0.3 -0.160 37.5 -93.5 118.2 149.6 62.7 -85.7 24.8 81 82 A N T 3 S+ 0 0 29 -8,-0.9 7,-0.1 1,-0.2 -1,-0.1 0.067 103.7 82.9 -85.5 25.1 63.9 -82.1 25.1 82 83 A H T 3 + 0 0 55 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.514 68.8 100.7-101.6 -10.2 64.6 -82.4 28.8 83 84 A F S < S- 0 0 13 -3,-1.0 3,-0.2 1,-0.1 2,-0.1 -0.405 78.9-112.7 -74.9 152.6 68.0 -83.9 28.3 84 85 A P S S+ 0 0 19 0, 0.0 2,-1.2 0, 0.0 -50,-0.2 -0.392 98.6 31.0 -76.7 163.5 71.2 -81.8 28.7 85 86 A G S S+ 0 0 0 1,-0.2 2,-0.2 1308,-0.1 1312,-0.0 -0.194 85.5 113.3 84.3 -49.4 73.2 -81.3 25.5 86 87 A T - 0 0 1 -2,-1.2 2,-0.5 -3,-0.2 -53,-0.2 -0.460 48.3-171.3 -59.7 121.9 70.2 -81.4 23.2 87 88 A T B -G 32 0B 1 -55,-2.2 -55,-0.6 -2,-0.2 -17,-0.4 -0.928 9.6-175.3-125.0 104.4 70.0 -77.8 21.8 88 89 A S - 0 0 5 -2,-0.5 2,-0.2 1301,-0.2 -17,-0.2 -0.703 18.9-135.2-108.4 153.4 66.8 -77.2 19.9 89 90 A L B -i 71 0D 5 -19,-3.0 -17,-0.8 -2,-0.3 2,-0.1 -0.637 29.0-107.3 -98.9 157.3 65.3 -74.4 17.8 90 91 A D >> - 0 0 20 -2,-0.2 4,-1.7 1295,-0.2 3,-0.6 -0.474 38.3-109.0 -74.7 156.6 61.7 -73.2 17.9 91 92 A G H 3> S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 117.0 56.3 -56.4 -43.8 59.7 -74.2 14.8 92 93 A A H 3> S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.839 105.9 52.3 -58.7 -35.3 59.5 -70.7 13.4 93 94 A T H <> S+ 0 0 14 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.939 111.9 43.2 -68.0 -48.0 63.4 -70.5 13.4 94 95 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.951 115.6 49.6 -63.6 -48.4 64.0 -73.7 11.6 95 96 A T H X S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.928 111.8 48.9 -55.0 -48.8 61.2 -72.9 9.1 96 97 A G H X S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.842 108.1 53.3 -62.0 -35.3 62.6 -69.4 8.5 97 98 A T H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.928 111.9 44.9 -65.7 -44.5 66.2 -70.7 8.0 98 99 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 113.3 51.3 -64.6 -43.0 65.0 -73.1 5.3 99 100 A Q H X S+ 0 0 33 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.949 110.2 48.9 -58.6 -51.5 62.8 -70.4 3.7 100 101 A D H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.894 109.8 50.7 -56.4 -46.9 65.7 -67.9 3.5 101 102 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.927 110.7 48.5 -61.1 -45.2 68.2 -70.4 2.0 102 103 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 109.1 53.8 -62.1 -39.6 65.7 -71.4 -0.8 103 104 A R H X S+ 0 0 19 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.916 112.5 44.9 -60.6 -41.4 65.1 -67.7 -1.5 104 105 A E H X S+ 0 0 14 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.901 109.6 52.7 -71.0 -41.8 68.8 -67.2 -1.9 105 106 A L H X>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 4,-1.2 0.921 109.2 51.4 -60.1 -42.2 69.4 -70.3 -4.0 106 107 A A H ><5S+ 0 0 4 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.905 107.1 53.0 -59.8 -43.3 66.7 -69.1 -6.4 107 108 A R H 3<5S+ 0 0 85 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 105.0 55.5 -58.8 -39.7 68.4 -65.7 -6.6 108 109 A H H 3<5S- 0 0 20 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.795 122.2-108.9 -63.6 -28.5 71.6 -67.5 -7.6 109 110 A G T <<5S+ 0 0 36 -4,-1.2 -3,-0.2 -3,-0.5 2,-0.2 0.431 73.2 139.4 110.5 3.1 69.8 -69.1 -10.4 110 111 A A < + 0 0 4 -5,-2.1 -1,-0.4 -6,-0.2 -86,-0.1 -0.511 23.6 175.1 -76.5 150.5 69.7 -72.6 -8.9 111 112 A R + 0 0 64 -88,-0.5 35,-3.1 1,-0.2 2,-0.4 0.288 54.5 73.0-140.3 7.7 66.4 -74.4 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-87.6-160.9 158.7 83.5 -38.3 26.8 1260 229 E S - 0 0 19 -26,-0.6 -48,-0.5 -2,-0.3 3,-0.4 -0.553 18.3-162.9 -80.0 133.2 83.5 -34.8 28.2 1261 230 E A > + 0 0 1 -2,-0.3 3,-1.9 -51,-0.3 -1,-0.1 0.104 56.7 118.4 -96.6 21.5 81.7 -32.0 26.4 1262 231 E K T 3 S+ 0 0 136 1,-0.3 -1,-0.2 -30,-0.1 -29,-0.1 0.841 76.0 46.1 -57.4 -36.7 83.5 -29.3 28.4 1263 232 E T T 3 S+ 0 0 89 -3,-0.4 -1,-0.3 2,-0.0 2,-0.1 0.155 86.2 126.2 -94.1 19.5 85.2 -27.8 25.2 1264 233 E A < + 0 0 9 -3,-1.9 2,-0.3 -36,-0.0 -51,-0.1 -0.420 35.0 174.3 -74.2 153.1 81.9 -27.8 23.2 1265 234 E S > - 0 0 27 -53,-0.3 4,-1.8 1,-0.1 -45,-0.2 -0.995 45.9-115.1-158.3 161.0 80.8 -24.5 21.7 1266 235 E R H > S+ 0 0 118 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.882 115.1 55.0 -62.9 -41.7 78.3 -22.9 19.4 1267 236 E E H > S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 107.1 49.1 -60.2 -44.9 81.0 -22.0 16.8 1268 237 E K H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 110.9 52.1 -61.8 -39.4 82.1 -25.7 16.6 1269 238 E G H X S+ 0 0 0 -4,-1.8 4,-2.9 -53,-0.3 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4,-1.9 -5,-0.3 -2,-0.2 0.917 116.7 41.7 -60.8 -48.1 78.2 -32.7 2.2 1280 249 E I H X S+ 0 0 0 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.5 55.7 -67.9 -39.3 74.9 -34.5 2.4 1281 250 E A H X S+ 0 0 2 -4,-2.9 4,-1.8 -5,-0.4 -2,-0.2 0.895 110.2 45.5 -60.5 -39.2 73.3 -31.9 -0.0 1282 251 E D H X S+ 0 0 74 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.876 109.3 55.2 -71.7 -36.0 76.0 -32.7 -2.6 1283 252 E A H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.896 109.3 48.2 -62.5 -39.6 75.7 -36.4 -2.1 1284 253 E I H X S+ 0 0 6 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.895 108.7 51.7 -68.8 -40.9 71.9 -36.1 -2.8 1285 254 E R H < S+ 0 0 169 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 113.3 48.1 -63.6 -32.2 72.5 -34.1 -6.0 1286 255 E E H < S+ 0 0 139 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.925 120.6 33.1 -72.7 -47.8 74.9 -36.8 -7.1 1287 256 E E H < S+ 0 0 14 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.742 126.9 39.6 -82.5 -26.1 72.7 -39.8 -6.4 1288 257 E F S < S+ 0 0 9 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.602 76.7 178.7-125.8 71.8 69.4 -38.1 -7.2 1289 258 E P 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-2,-0.3 3,-0.3 -0.503 18.4-161.9 -77.3 139.1 94.1 -57.3 -2.7 1518 230 F A > + 0 0 1 -50,-0.2 3,-2.3 -2,-0.2 -1,-0.1 0.160 56.9 118.9-100.8 15.1 95.4 -60.4 -0.9 1519 231 F K T 3 S+ 0 0 134 1,-0.3 -1,-0.2 -30,-0.1 -31,-0.1 0.848 76.1 46.0 -49.2 -41.7 98.6 -60.4 -3.0 1520 232 F T T 3 S+ 0 0 84 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.248 84.0 125.8 -90.3 13.7 100.8 -59.9 0.1 1521 233 F A < + 0 0 8 -3,-2.3 2,-0.3 -36,-0.1 -51,-0.1 -0.360 34.7 174.4 -69.2 152.0 99.1 -62.5 2.3 1522 234 F S > - 0 0 30 -53,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.993 46.8-115.4-157.6 155.7 101.3 -65.2 3.8 1523 235 F R H > S+ 0 0 121 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.850 115.8 59.0 -59.6 -34.4 101.2 -68.1 6.2 1524 236 F E H > S+ 0 0 99 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.905 105.7 45.7 -62.5 -44.5 103.6 -66.1 8.4 1525 237 F K H > S+ 0 0 32 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.881 111.2 55.9 -66.5 -35.6 101.2 -63.2 8.8 1526 238 F G H X S+ 0 0 0 -4,-2.0 4,-2.8 -53,-0.4 -2,-0.2 0.905 106.0 48.7 -62.7 -42.8 98.4 -65.8 9.4 1527 239 F E H X S+ 0 0 93 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I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.898 110.9 52.1 -69.5 -41.8 90.5 -63.8 23.6 1538 250 F A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.926 111.5 49.7 -59.7 -42.3 91.7 -66.5 26.0 1539 251 F D H X S+ 0 0 71 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.907 109.4 49.7 -62.3 -44.4 92.8 -63.6 28.3 1540 252 F A H X S+ 0 0 9 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.930 111.2 49.7 -61.4 -45.0 89.4 -61.8 28.1 1541 253 F I H X S+ 0 0 4 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.884 108.7 52.1 -62.1 -39.9 87.6 -65.1 28.9 1542 254 F R H < S+ 0 0 121 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.883 113.5 45.8 -63.5 -37.2 89.8 -65.7 31.9 1543 255 F E H < S+ 0 0 139 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.906 121.9 34.8 -71.9 -43.7 89.0 -62.2 33.1 1544 256 F E H < S+ 0 0 12 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.805 128.3 34.3 -82.4 -32.0 85.3 -62.4 32.5 1545 257 F F S < S- 0 0 9 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.1 -0.527 77.9-178.8-124.3 65.9 84.8 -66.1 33.4 1546 258 F P 0 0 70 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.309 360.0 360.0 -66.0 146.6 87.2 -67.0 36.2 1547 259 F P 0 0 144 0, 0.0 -5,-0.0 0, 0.0 -235,-0.0 0.808 360.0 360.0 -60.2 360.0 87.2 -70.6 37.5