==== 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 3A6G . COMPND 2 MOLECULE: CREATININE AMIDOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR Y.NAKAJIMA,K.YAMASHITA,K.ITO,T.YOSHIMOTO . 1535 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1067 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 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 . 2 0.1 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 . 98 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 164 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 527 34.3 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 3 3 6 0 0 0 0 0 0 12 6 0 0 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 6 0 0 9 3 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 . 14 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 3 A K 0 0 163 0, 0.0 2,-0.1 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0-156.1 55.8 -23.4 2.9 2 4 A S - 0 0 31 5,-0.2 0, 0.0 2,-0.2 0, 0.0 -0.362 360.0-135.9 -83.6 160.1 57.7 -26.0 5.0 3 5 A V S S+ 0 0 20 -2,-0.1 59,-3.6 58,-0.1 2,-0.6 0.472 78.5 105.6 -91.4 -3.6 59.9 -28.8 3.8 4 6 A F B > -a 62 0A 41 57,-0.2 3,-1.7 1,-0.2 59,-0.2 -0.686 64.7-151.4 -82.4 118.9 58.1 -31.0 6.4 5 7 A V G > S+ 0 0 0 57,-2.5 3,-2.0 -2,-0.6 1320,-0.5 0.867 96.7 62.0 -54.2 -39.4 55.7 -33.4 4.8 6 8 A G G 3 S+ 0 0 3 56,-0.5 1320,-2.0 1,-0.3 1319,-0.4 0.762 102.5 51.7 -60.5 -23.3 53.6 -33.3 8.0 7 9 A E G < S+ 0 0 61 -3,-1.7 -1,-0.3 1317,-0.2 2,-0.3 0.329 97.1 84.9 -96.9 7.6 53.1 -29.6 7.4 8 10 A L S < S- 0 0 9 -3,-2.0 1317,-1.4 -4,-0.2 2,-0.2 -0.709 79.3-118.2-105.6 158.8 51.8 -30.0 3.9 9 11 A T > - 0 0 8 -2,-0.3 4,-2.0 1315,-0.2 3,-0.3 -0.530 35.5-108.5 -85.1 163.1 48.3 -30.7 2.6 10 12 A W H > S+ 0 0 18 1310,-0.7 4,-2.5 1313,-0.4 5,-0.1 0.833 120.1 56.6 -64.7 -27.6 48.0 -34.0 0.7 11 13 A K H > S+ 0 0 81 1309,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.874 106.5 48.0 -69.0 -38.3 47.5 -31.9 -2.5 12 14 A E H > S+ 0 0 42 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.920 113.8 47.4 -67.7 -43.7 50.8 -30.1 -2.0 13 15 A Y H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.920 111.0 51.5 -62.2 -45.5 52.6 -33.3 -1.4 14 16 A E H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 108.2 51.7 -59.6 -41.3 51.0 -35.0 -4.4 15 17 A A H X S+ 0 0 65 -4,-1.9 4,-0.5 2,-0.2 -1,-0.2 0.905 109.6 50.3 -63.2 -41.5 52.1 -32.1 -6.6 16 18 A R H >< S+ 0 0 100 -4,-1.9 3,-1.0 1,-0.2 5,-0.3 0.917 112.6 44.8 -64.1 -44.9 55.7 -32.4 -5.4 17 19 A V H >< S+ 0 0 16 -4,-2.3 3,-2.2 1,-0.2 5,-0.3 0.839 100.9 69.6 -68.6 -31.4 55.9 -36.1 -6.0 18 20 A A H 3< S+ 0 0 80 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.719 81.3 76.7 -59.1 -19.6 54.2 -35.7 -9.4 19 21 A A T << S- 0 0 69 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.802 98.5-137.3 -61.1 -29.1 57.5 -34.0 -10.5 20 22 A G S < S+ 0 0 70 -3,-2.2 -2,-0.1 -4,-0.2 -1,-0.1 0.326 88.4 61.5 90.4 -8.1 59.0 -37.4 -10.8 21 23 A D + 0 0 64 -5,-0.3 -4,-0.1 2,-0.1 -3,-0.1 0.137 66.7 145.8-135.0 18.7 62.3 -36.7 -9.2 22 24 A C - 0 0 15 -5,-0.3 88,-0.5 -6,-0.2 2,-0.5 -0.332 38.4-144.0 -62.9 134.8 61.3 -35.6 -5.7 23 25 A V - 0 0 12 36,-0.4 38,-2.3 87,-0.1 2,-0.4 -0.882 11.7-161.0-104.8 131.8 63.6 -36.6 -2.9 24 26 A L E -bc 61 112A 0 87,-2.2 89,-2.6 -2,-0.5 2,-0.4 -0.876 2.3-157.8-111.4 145.1 62.2 -37.6 0.5 25 27 A M E -bc 62 113A 0 36,-2.2 38,-3.3 -2,-0.4 89,-0.2 -0.976 4.7-167.3-126.3 136.9 64.2 -37.6 3.8 26 28 A L E - c 0 114A 1 87,-3.0 89,-2.1 -2,-0.4 2,-0.3 -0.946 10.8-149.9-126.5 112.4 63.5 -39.6 6.9 27 29 A P E - c 0 115A 2 0, 0.0 39,-2.4 0, 0.0 2,-0.5 -0.622 11.1-164.1 -80.7 138.9 65.3 -38.8 10.2 28 30 A V E +dc 66 116A 0 87,-2.5 89,-2.8 -2,-0.3 90,-0.6 -0.969 25.5 142.3-125.1 114.6 65.8 -41.9 12.5 29 31 A G - 0 0 1 37,-2.5 2,-0.3 -2,-0.5 15,-0.2 -0.065 32.1-127.8-123.0-136.8 66.7 -41.2 16.1 30 32 A A - 0 0 3 38,-0.2 2,-0.7 11,-0.2 14,-0.3 -0.971 21.5-113.2-174.5 165.7 66.1 -42.3 19.6 31 33 A L B +G 86 0B 1 55,-0.5 55,-2.0 -2,-0.3 2,-0.3 -0.972 59.1 149.7-112.9 108.2 65.1 -41.3 23.2 32 34 A E - 0 0 2 8,-2.4 10,-0.3 -2,-0.7 11,-0.2 -1.000 51.9 -97.2-149.5 143.4 68.3 -41.9 25.1 33 35 A Q - 0 0 0 -2,-0.3 6,-0.1 50,-0.2 3,-0.1 -0.258 30.5-174.6 -57.0 141.3 70.2 -40.5 28.1 34 36 A H > - 0 0 0 1,-0.6 4,-0.6 4,-0.5 3,-0.3 -0.335 47.6 -88.4-135.5 51.3 72.8 -38.0 27.1 35 37 A G T 4 - 0 0 0 187,-0.3 1260,-0.7 1,-0.2 -1,-0.6 -0.132 59.5 -58.1 76.1-171.4 74.6 -37.2 30.4 36 38 A H T 4 S+ 0 0 48 161,-0.2 -1,-0.2 1,-0.2 162,-0.1 0.654 128.7 52.8 -83.3 -17.5 73.8 -34.7 33.1 37 39 A H T 4 S+ 0 0 4 -3,-0.3 157,-2.5 140,-0.1 2,-0.3 0.532 103.2 49.5 -99.8 -8.8 74.1 -31.7 30.8 38 40 A M B < S-H 193 0C 0 -4,-0.6 -4,-0.5 155,-0.2 1257,-0.4 -0.929 77.6-106.3-133.1 159.4 71.8 -32.4 27.8 39 41 A C > - 0 0 2 153,-1.1 3,-0.6 -2,-0.3 1255,-0.2 -0.178 31.4-115.4 -74.9 170.3 68.2 -33.6 27.1 40 42 A M T 3 S+ 0 0 0 1253,-1.6 -8,-2.4 1250,-0.5 3,-0.4 0.527 101.6 67.9 -89.6 -5.9 67.3 -37.1 25.9 41 43 A N T >> + 0 0 24 1250,-2.0 4,-2.5 -10,-0.2 3,-2.3 0.316 62.9 115.2 -96.8 12.9 65.8 -36.4 22.4 42 44 A V H <> + 0 0 0 -3,-0.6 4,-2.6 -10,-0.3 -1,-0.2 0.844 69.5 58.8 -46.0 -46.2 69.2 -35.3 21.0 43 45 A D H 34 S+ 0 0 5 -3,-0.4 -1,-0.3 -13,-0.3 74,-0.2 0.632 113.7 38.4 -64.3 -14.3 69.3 -38.2 18.5 44 46 A V H <> S+ 0 0 12 -3,-2.3 4,-1.8 -14,-0.3 -2,-0.2 0.794 114.8 52.7 -98.1 -46.8 66.1 -37.1 17.0 45 47 A L H X S+ 0 0 26 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.906 108.4 49.4 -55.9 -48.5 66.7 -33.3 17.1 46 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.936 113.4 41.2 -63.8 -51.4 70.1 -33.4 15.4 47 49 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.861 116.2 52.6 -67.5 -28.7 69.3 -35.5 12.3 48 50 A T H X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.916 109.8 47.6 -69.0 -41.7 66.0 -33.7 12.0 49 51 A A H X S+ 0 0 2 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.898 115.0 46.1 -65.3 -40.4 67.7 -30.3 12.1 50 52 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.920 112.6 49.7 -68.2 -43.9 70.2 -31.5 9.5 51 53 A C H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.917 108.6 54.4 -58.9 -45.3 67.5 -33.0 7.3 52 54 A K H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.940 113.1 40.8 -53.5 -52.9 65.6 -29.7 7.5 53 55 A R H X S+ 0 0 87 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.896 116.4 48.1 -66.5 -42.8 68.5 -27.6 6.3 54 56 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.947 113.1 49.3 -62.9 -47.0 69.7 -30.1 3.6 55 57 A A H X>S+ 0 0 0 -4,-3.2 5,-2.2 -5,-0.2 4,-1.4 0.889 112.1 47.4 -59.5 -42.6 66.1 -30.5 2.3 56 58 A E H <5S+ 0 0 95 -4,-2.2 3,-0.3 -5,-0.3 -1,-0.2 0.949 114.0 48.5 -65.0 -45.1 65.6 -26.7 2.1 57 59 A R H <5S+ 0 0 116 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.868 123.1 30.1 -63.2 -40.7 69.0 -26.3 0.4 58 60 A I H <5S- 0 0 46 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.420 111.8-107.8-101.6 -0.3 68.4 -29.0 -2.3 59 61 A G T <5S+ 0 0 43 -4,-1.4 -36,-0.4 -3,-0.3 -3,-0.2 0.887 70.7 135.4 78.4 39.4 64.6 -28.8 -2.6 60 62 A A < - 0 0 1 -5,-2.2 2,-0.3 -6,-0.2 -36,-0.2 -0.536 48.8-119.1-109.8 178.6 63.7 -32.1 -0.9 61 63 A L E - b 0 24A 0 -38,-2.3 -36,-2.2 -2,-0.2 2,-0.5 -0.908 15.9-136.5-121.5 151.1 61.0 -32.9 1.7 62 64 A V E -ab 4 25A 1 -59,-3.6 -57,-2.5 -2,-0.3 -56,-0.5 -0.927 12.0-148.2-114.8 123.1 61.3 -34.3 5.2 63 65 A M - 0 0 2 -38,-3.3 -60,-0.0 -2,-0.5 -59,-0.0 -0.395 42.6 -78.5 -79.7 159.3 59.1 -37.1 6.7 64 66 A P - 0 0 16 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.332 59.4-112.6 -58.1 138.6 58.1 -37.2 10.4 65 67 A G - 0 0 8 -39,-0.1 2,-0.8 -3,-0.1 1287,-0.3 -0.363 17.3-112.1 -78.3 154.3 61.1 -38.6 12.3 66 68 A L B -d 28 0A 12 -39,-2.4 -37,-2.5 1,-0.2 -1,-0.1 -0.775 29.7-168.5 -84.5 115.2 61.3 -41.9 14.1 67 69 A Q + 0 0 36 -2,-0.8 2,-0.4 1283,-0.2 -1,-0.2 0.693 67.3 54.5 -78.6 -23.6 61.4 -40.9 17.8 68 70 A Y + 0 0 8 -38,-0.2 -38,-0.2 -39,-0.1 2,-0.2 -0.952 66.5 172.8-118.9 134.3 62.3 -44.3 19.2 69 71 A G - 0 0 0 -2,-0.4 19,-2.7 17,-0.4 -38,-0.1 -0.541 37.2 -50.6-125.4-168.6 65.3 -46.4 18.1 70 72 A Y B S-i 88 0D 0 17,-0.2 -1,-0.2 -2,-0.2 50,-0.1 -0.203 74.1 -70.0 -68.5 157.7 67.2 -49.6 18.9 71 73 A K - 0 0 6 17,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.117 54.8-108.6 -48.0 131.7 68.5 -50.5 22.3 72 74 A S - 0 0 3 7,-0.1 8,-0.8 -3,-0.1 2,-0.4 -0.413 32.7-142.8 -64.3 135.4 71.4 -48.3 23.6 73 75 A Q >>> - 0 0 18 6,-0.3 4,-3.7 1,-0.1 3,-1.4 -0.827 14.3-123.3-104.4 143.3 74.7 -50.3 23.6 74 76 A Q H 3>5S+ 0 0 9 -2,-0.4 4,-1.2 4,-0.3 -1,-0.1 0.901 108.0 46.3 -47.8 -54.3 77.3 -49.8 26.3 75 77 A K H 345S+ 0 0 57 1,-0.2 -1,-0.3 2,-0.1 131,-0.1 0.573 127.4 25.6 -70.4 -10.7 80.2 -48.8 24.0 76 78 A S H <45S+ 0 0 29 -3,-1.4 -2,-0.2 98,-0.1 -1,-0.2 0.624 138.4 14.8-125.4 -24.6 78.2 -46.4 21.9 77 79 A G H <5S- 0 0 0 -4,-3.7 -3,-0.2 147,-0.1 -2,-0.1 0.375 101.9-101.5-134.3 3.0 75.3 -45.0 24.0 78 80 A G S < - 0 0 0 -6,-0.6 3,-1.0 1,-0.1 -6,-0.3 -0.243 37.9 -94.8 121.2 151.3 73.8 -48.9 27.8 80 82 A N T 3 S+ 0 0 23 -8,-0.8 7,-0.1 1,-0.2 -1,-0.1 0.165 105.1 81.7 -86.8 19.3 70.1 -49.7 28.0 81 83 A H T 3 + 0 0 58 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.561 69.2 105.8 -95.4 -12.1 70.0 -49.9 31.8 82 84 A F S < S- 0 0 12 -3,-1.0 3,-0.2 1,-0.1 -10,-0.1 -0.358 77.0-114.3 -69.9 146.6 69.8 -46.2 32.1 83 85 A P S S+ 0 0 30 0, 0.0 2,-1.2 0, 0.0 -50,-0.2 -0.405 98.6 28.6 -73.2 158.0 66.5 -44.5 33.1 84 86 A G S S+ 0 0 0 1,-0.2 2,-0.2 1304,-0.1 1308,-0.1 -0.260 86.3 112.1 87.9 -52.6 64.9 -42.4 30.3 85 87 A T - 0 0 0 -2,-1.2 2,-0.5 -3,-0.2 -53,-0.3 -0.424 49.5-169.9 -59.1 124.3 66.4 -44.3 27.4 86 88 A T B -G 31 0B 1 -55,-2.0 -55,-0.5 -2,-0.2 -17,-0.4 -0.923 9.8-174.4-125.0 103.2 63.3 -45.9 25.8 87 89 A S - 0 0 7 -2,-0.5 -17,-0.2 1297,-0.2 2,-0.2 -0.710 18.7-137.7-109.4 152.7 64.2 -48.4 23.2 88 90 A L B -i 70 0D 6 -19,-2.7 -17,-0.8 -2,-0.3 2,-0.1 -0.588 31.2-104.9 -96.5 159.4 62.4 -50.6 20.6 89 91 A D > - 0 0 20 -2,-0.2 4,-1.7 1291,-0.2 3,-0.4 -0.463 38.5-108.5 -75.8 158.4 63.2 -54.2 19.8 90 92 A G H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 117.4 54.1 -56.3 -44.8 65.0 -54.7 16.5 91 93 A A H > S+ 0 0 75 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.838 106.1 54.0 -60.2 -33.9 62.0 -56.2 14.6 92 94 A T H > S+ 0 0 15 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.920 112.0 42.1 -67.7 -45.4 59.9 -53.2 15.6 93 95 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.932 114.9 51.1 -66.5 -46.8 62.3 -50.6 14.2 94 96 A T H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.932 110.5 49.9 -54.8 -48.3 62.9 -52.7 11.1 95 97 A G H X S+ 0 0 9 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.836 107.6 53.3 -61.4 -35.8 59.2 -53.0 10.5 96 98 A T H X S+ 0 0 9 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.930 111.9 44.5 -66.2 -45.5 58.6 -49.3 10.8 97 99 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.939 113.9 51.2 -62.8 -46.0 61.2 -48.5 8.2 98 100 A Q H X S+ 0 0 33 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.926 110.4 48.6 -57.1 -47.7 59.9 -51.3 6.0 99 101 A D H X S+ 0 0 2 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.902 109.5 52.0 -61.0 -43.8 56.3 -50.0 6.3 100 102 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 110.1 48.1 -60.4 -45.9 57.3 -46.4 5.5 101 103 A I H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.899 109.0 53.9 -62.1 -41.8 59.1 -47.4 2.3 102 104 A R H X S+ 0 0 20 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.906 112.5 44.7 -59.1 -42.5 56.2 -49.5 1.1 103 105 A E H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.895 109.8 52.8 -70.4 -42.7 53.9 -46.5 1.5 104 106 A L H X>S+ 0 0 0 -4,-2.6 5,-1.9 1,-0.2 4,-0.9 0.897 108.6 52.3 -60.3 -38.6 56.2 -44.0 -0.1 105 107 A A H <5S+ 0 0 6 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.879 106.2 54.2 -63.5 -37.8 56.4 -46.4 -3.1 106 108 A R H <5S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 103.7 55.0 -64.2 -36.9 52.6 -46.4 -3.2 107 109 A H H <5S- 0 0 26 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.744 124.1-105.9 -66.5 -24.5 52.5 -42.6 -3.4 108 110 A G T <5S+ 0 0 39 -4,-0.9 -3,-0.2 -3,-0.5 -2,-0.1 0.342 73.9 142.2 111.8 -2.3 54.8 -42.9 -6.4 109 111 A A < + 0 0 5 -5,-1.9 -1,-0.4 -6,-0.2 -86,-0.1 -0.360 22.9 175.2 -68.8 151.6 57.9 -41.7 -4.7 110 112 A R + 0 0 63 -88,-0.5 35,-2.8 1,-0.2 2,-0.4 0.260 54.5 70.6-143.1 11.2 61.2 -43.4 -5.7 111 113 A R E + e 0 145A 47 -89,-0.3 -87,-2.2 33,-0.2 2,-0.4 -0.962 52.2 169.7-139.1 119.9 63.9 -41.6 -3.8 112 114 A L E 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-2,-0.1 0.254 85.5 125.1 -88.3 13.5 32.0 -23.2 9.9 1516 233 F A < + 0 0 9 -3,-2.0 2,-0.3 -36,-0.1 -51,-0.1 -0.393 35.2 173.0 -71.9 149.9 35.3 -23.9 11.7 1517 234 F S > - 0 0 29 -53,-0.3 4,-2.1 1,-0.1 -45,-0.2 -0.994 47.3-116.5-156.9 159.1 36.7 -21.1 13.9 1518 235 F R H > S+ 0 0 141 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.838 115.8 57.0 -62.8 -35.2 39.4 -20.2 16.4 1519 236 F E H > S+ 0 0 103 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 107.3 45.8 -63.9 -45.9 36.7 -19.4 18.9 1520 237 F K H > S+ 0 0 28 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.903 111.9 53.6 -63.9 -40.2 35.2 -22.9 18.6 1521 238 F G H X S+ 0 0 0 -4,-2.1 4,-2.8 -53,-0.3 -2,-0.2 0.906 106.9 50.1 -61.0 -43.0 38.7 -24.4 18.8 1522 239 F E H X S+ 0 0 108 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.861 111.6 49.5 -64.3 -35.6 39.4 -22.5 22.1 1523 240 F L H X S+ 0 0 47 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.955 112.7 46.0 -67.2 -50.7 36.2 -23.8 23.5 1524 241 F I H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.924 111.7 53.1 -56.6 -48.4 36.9 -27.4 22.5 1525 242 F L H X S+ 0 0 21 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.915 110.6 44.4 -55.5 -50.4 40.5 -27.2 23.9 1526 243 F E H X S+ 0 0 89 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.888 113.7 51.1 -65.3 -38.9 39.5 -25.9 27.3 1527 244 F V H X S+ 0 0 40 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.942 114.5 42.9 -63.3 -47.1 36.7 -28.5 27.6 1528 245 F C H X S+ 0 0 2 -4,-2.8 4,-3.0 -5,-0.2 5,-0.3 0.920 112.7 53.4 -66.1 -44.4 39.0 -31.4 26.7 1529 246 F V H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.942 114.6 37.8 -58.5 -52.8 41.9 -30.2 28.8 1530 247 F Q H X S+ 0 0 67 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.862 116.8 53.7 -70.4 -30.9 40.0 -29.9 32.1 1531 248 F G H X S+ 0 0 26 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.952 114.6 39.4 -65.3 -49.1 38.0 -33.0 31.3 1532 249 F I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.885 113.5 56.0 -67.6 -39.2 41.0 -35.1 30.7 1533 250 F A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.930 110.4 44.7 -59.2 -45.9 42.9 -33.5 33.6 1534 251 F D H X S+ 0 0 83 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.867 110.9 53.7 -68.1 -35.8 40.1 -34.4 36.1 1535 252 F A H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.924 110.2 47.6 -64.4 -42.8 39.8 -38.0 34.7 1536 253 F I H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 108.7 53.8 -65.5 -41.2 43.6 -38.5 35.2 1537 254 F R H < S+ 0 0 106 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.8 46.7 -59.3 -39.9 43.4 -37.1 38.7 1538 255 F E H < S+ 0 0 148 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 117.0 41.0 -69.9 -40.5 40.7 -39.6 39.5 1539 256 F E H < S+ 0 0 16 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.738 122.9 39.4 -80.6 -23.6 42.4 -42.6 38.0 1540 257 F F S < S+ 0 0 15 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.548 74.4 169.1-127.0 68.4 45.9 -41.8 39.3 1541 258 F P 0 0 72 0, 0.0 -3,-0.1 0, 0.0 -235,-0.0 -0.434 360.0 360.0 -77.2 154.7 45.6 -40.4 42.9 1542 259 F P 0 0 143 0, 0.0 -236,-0.0 0, 0.0 -237,-0.0 -0.279 360.0 360.0 -58.1 360.0 48.8 -40.0 45.0