==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-03 1P8M . COMPND 2 MOLECULE: ARGINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.CAMA,F.A.EMIG,E-D.ASH,D.W.CHRISTIANSON . 942 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34252.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 81 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 3 1 6 0 3 0 3 0 3 3 0 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 9 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 3 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 6 A K 0 0 135 0, 0.0 40,-1.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.1 -31.8 56.5 2.5 2 7 A P E -a 41 0A 47 0, 0.0 86,-3.3 0, 0.0 2,-0.5 -0.412 360.0-168.5 -68.3 131.0 -30.7 57.8 -1.0 3 8 A I E -ab 42 88A 5 38,-2.4 40,-2.8 84,-0.2 2,-0.5 -0.988 1.9-172.9-125.0 130.8 -28.9 55.6 -3.6 4 9 A E E -ab 43 89A 14 84,-2.9 86,-2.2 -2,-0.5 2,-0.4 -0.946 11.7-151.6-126.7 112.8 -27.3 57.2 -6.6 5 10 A I E -ab 44 90A 0 38,-1.9 40,-1.9 -2,-0.5 2,-0.4 -0.662 13.9-173.6 -80.4 130.7 -25.8 54.9 -9.3 6 11 A I E - b 0 91A 0 84,-2.8 86,-2.1 -2,-0.4 2,-0.4 -0.978 13.7-145.2-129.0 116.8 -23.0 56.5 -11.3 7 12 A G E -ab 47 92A 0 39,-2.4 41,-2.4 -2,-0.4 86,-0.2 -0.666 9.1-166.6 -85.1 133.2 -21.6 54.7 -14.2 8 13 A A E - b 0 93A 0 84,-3.2 2,-3.3 -2,-0.4 86,-1.7 -0.680 1.4-171.0-121.4 77.1 -17.8 55.0 -14.9 9 14 A P + 0 0 36 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.301 36.0 142.9 -56.7 63.2 -17.0 53.7 -18.4 10 15 A F + 0 0 7 -2,-3.3 85,-1.6 9,-0.3 84,-0.2 -0.897 19.3 149.6-119.2 147.4 -13.3 53.9 -18.0 11 16 A S > + 0 0 23 -2,-0.4 3,-1.8 83,-0.2 -1,-0.1 0.475 50.0 95.0-142.7 -11.1 -10.6 51.6 -19.3 12 17 A K T 3 + 0 0 68 1,-0.3 123,-0.3 83,-0.1 56,-0.1 0.571 69.5 82.6 -64.9 -5.4 -7.4 53.6 -19.9 13 18 A G T 3 S+ 0 0 0 122,-0.1 123,-2.9 121,-0.1 124,-0.4 0.668 105.7 14.9 -71.1 -14.8 -6.3 52.6 -16.4 14 19 A Q S < S- 0 0 15 -3,-1.8 81,-0.1 121,-0.2 -1,-0.1 -0.954 81.8-104.8-151.7 167.4 -5.0 49.3 -17.9 15 20 A P S S+ 0 0 96 0, 0.0 2,-0.8 0, 0.0 -3,-0.0 0.712 87.6 88.8 -69.4 -26.7 -4.2 47.6 -21.2 16 21 A R > - 0 0 129 -5,-0.1 3,-0.8 2,-0.0 -2,-0.1 -0.670 68.6-144.8 -84.1 111.0 -7.3 45.3 -21.6 17 22 A G T 3 S+ 0 0 50 -2,-0.8 259,-0.0 1,-0.2 -6,-0.0 -0.380 71.7 67.5 -68.4 147.9 -10.2 46.9 -23.4 18 23 A G T > + 0 0 1 257,-0.1 3,-1.7 258,-0.1 4,-0.2 -0.025 62.7 95.0 134.6 -35.7 -13.6 45.9 -22.2 19 24 A V G X S+ 0 0 0 -3,-0.8 3,-1.5 1,-0.3 -9,-0.3 0.711 76.5 70.7 -62.5 -18.8 -14.1 47.2 -18.6 20 25 A E G 3 S+ 0 0 60 1,-0.3 4,-0.4 -11,-0.2 -1,-0.3 0.824 92.7 58.3 -66.3 -27.8 -15.9 50.2 -20.0 21 26 A K G <> S+ 0 0 104 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.509 81.2 95.9 -77.1 -5.1 -18.7 47.8 -20.9 22 27 A G H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.925 81.0 46.8 -51.8 -55.7 -18.9 46.9 -17.2 23 28 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.854 112.0 52.3 -58.3 -36.1 -21.7 49.3 -16.3 24 29 A A H > S+ 0 0 55 -4,-0.4 4,-3.2 2,-0.2 -2,-0.2 0.947 109.0 48.7 -65.2 -48.7 -23.8 48.3 -19.3 25 30 A A H X S+ 0 0 18 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.870 112.7 49.5 -57.9 -39.3 -23.5 44.6 -18.4 26 31 A L H <>S+ 0 0 0 -4,-2.0 5,-1.7 2,-0.2 -1,-0.2 0.846 114.4 42.5 -70.5 -38.1 -24.5 45.3 -14.8 27 32 A R H ><5S+ 0 0 50 -4,-2.1 3,-3.1 1,-0.2 6,-0.2 0.934 109.5 59.5 -72.5 -44.3 -27.5 47.4 -15.7 28 33 A K H 3<5S+ 0 0 175 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.842 100.1 57.3 -48.4 -39.5 -28.4 44.8 -18.4 29 34 A A T 3<5S- 0 0 34 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.419 126.2-100.8 -76.2 1.8 -28.6 42.2 -15.6 30 35 A G T <>5S+ 0 0 13 -3,-3.1 4,-2.7 3,-0.1 5,-0.3 0.724 70.6 148.9 87.4 23.4 -31.3 44.3 -13.8 31 36 A L H >> S+ 0 0 109 -3,-0.3 3,-1.7 -6,-0.2 4,-0.9 0.928 113.1 49.3 -75.3 -53.4 -34.5 47.4 -10.8 34 39 A K H >< S+ 0 0 95 -4,-2.7 3,-1.1 1,-0.3 4,-0.3 0.924 107.9 53.5 -53.2 -47.9 -33.4 44.8 -8.3 35 40 A L G >< S+ 0 0 2 -4,-2.7 3,-0.6 -5,-0.3 5,-0.3 0.627 100.4 67.4 -65.0 -7.2 -32.0 47.5 -6.1 36 41 A K G <4 S+ 0 0 119 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.865 88.1 60.7 -80.4 -33.5 -35.4 49.1 -6.3 37 42 A E G << S+ 0 0 148 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.460 91.6 91.2 -71.7 -2.1 -37.2 46.4 -4.4 38 43 A T S < S- 0 0 24 -3,-0.6 262,-0.1 -4,-0.3 258,-0.0 -0.370 99.3 -96.7 -88.2 175.1 -35.0 47.2 -1.4 39 44 A E S S+ 0 0 132 260,-0.3 2,-0.2 -2,-0.1 -3,-0.1 0.369 95.2 95.3 -72.2 4.0 -35.9 49.7 1.3 40 45 A Y S S- 0 0 41 -5,-0.3 2,-0.5 259,-0.1 -2,-0.2 -0.643 76.8-120.6-100.5 156.3 -33.8 52.4 -0.4 41 46 A N E -a 2 0A 130 -40,-1.9 -38,-2.4 -2,-0.2 2,-0.5 -0.817 34.3-154.0 -93.2 126.9 -34.7 55.1 -2.8 42 47 A V E +a 3 0A 28 -2,-0.5 2,-0.4 -40,-0.2 -38,-0.2 -0.898 19.1 177.7-113.9 132.2 -32.8 54.7 -6.1 43 48 A R E -a 4 0A 149 -40,-2.8 -38,-1.9 -2,-0.5 2,-0.9 -0.988 18.8-148.8-130.0 121.4 -31.7 57.2 -8.6 44 49 A D E -a 5 0A 57 -2,-0.4 -38,-0.1 -40,-0.2 3,-0.1 -0.790 8.6-171.1 -93.8 102.3 -29.7 56.3 -11.7 45 50 A H E - 0 0 70 -40,-1.9 -39,-0.2 -2,-0.9 -1,-0.1 0.584 38.4-131.3 -67.2 -10.7 -27.5 59.3 -12.6 46 51 A G E - 0 0 24 -41,-0.4 -39,-2.4 2,-0.0 2,-0.4 -0.356 38.3 -42.9 87.8-174.1 -26.5 57.5 -15.9 47 52 A D E -a 7 0A 73 -41,-0.2 2,-0.2 -3,-0.1 -39,-0.2 -0.783 54.7-123.0 -97.5 138.8 -23.0 57.0 -17.3 48 53 A L - 0 0 13 -41,-2.4 2,-0.6 -2,-0.4 -2,-0.0 -0.509 19.7-133.5 -75.9 144.2 -20.4 59.8 -17.3 49 54 A A - 0 0 84 -2,-0.2 2,-0.5 -41,-0.1 -1,-0.0 -0.906 20.6-149.9-100.6 117.8 -19.0 60.7 -20.7 50 55 A F - 0 0 43 -2,-0.6 2,-0.4 -41,-0.2 21,-0.1 -0.802 8.1-134.3 -95.2 124.5 -15.2 61.0 -20.5 51 56 A V - 0 0 96 -2,-0.5 2,-0.5 1,-0.1 20,-0.1 -0.616 22.4-128.7 -76.4 126.6 -13.4 63.4 -22.8 52 57 A D - 0 0 100 -2,-0.4 -1,-0.1 18,-0.1 15,-0.0 -0.670 13.7-134.4 -82.2 122.1 -10.4 61.8 -24.4 53 58 A V - 0 0 39 -2,-0.5 3,-0.4 11,-0.1 14,-0.2 -0.651 22.7-139.3 -78.0 109.5 -7.2 63.8 -24.0 54 59 A P S S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.372 81.9 21.9 -69.1 147.1 -5.5 63.8 -27.4 55 60 A N S S+ 0 0 153 1,-0.2 2,-1.3 -2,-0.1 -2,-0.0 0.960 75.2 174.9 58.8 54.9 -1.7 63.4 -27.5 56 61 A D - 0 0 23 -3,-0.4 8,-0.5 9,-0.0 -1,-0.2 -0.599 12.7-167.5 -92.3 69.8 -1.6 61.8 -24.1 57 62 A S - 0 0 63 -2,-1.3 9,-0.2 -3,-0.1 0, 0.0 -0.281 28.7 -96.4 -63.3 143.3 2.2 61.0 -24.0 58 63 A P - 0 0 86 0, 0.0 2,-1.1 0, 0.0 5,-0.2 -0.298 25.1-131.7 -59.8 140.9 3.4 58.6 -21.3 59 64 A F B > S-H 62 0B 45 3,-2.3 3,-1.4 74,-0.1 2,-1.1 -0.804 71.3 -60.7 -95.6 94.2 4.8 60.1 -18.2 60 65 A Q T 3 S- 0 0 131 -2,-1.1 73,-0.1 1,-0.3 68,-0.1 -0.534 123.3 -16.9 66.6 -99.3 8.0 58.0 -17.9 61 66 A I T 3 S+ 0 0 81 -2,-1.1 72,-0.3 66,-0.3 -1,-0.3 0.761 113.3 105.3-102.4 -37.1 6.3 54.6 -17.6 62 67 A V B < -H 59 0B 1 -3,-1.4 -3,-2.3 65,-0.2 2,-0.3 -0.210 62.1-145.4 -51.1 121.9 2.8 55.8 -16.6 63 68 A K - 0 0 91 70,-1.4 72,-0.3 -5,-0.2 5,-0.1 -0.642 68.5 -1.8 -94.9 149.2 0.4 55.4 -19.5 64 69 A N S > S+ 0 0 56 -8,-0.5 4,-2.4 -2,-0.3 5,-0.3 0.774 74.3 162.6 43.3 41.7 -2.6 57.7 -20.3 65 70 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.905 71.1 43.3 -53.4 -49.6 -1.9 59.9 -17.3 66 71 A R H > S+ 0 0 73 -9,-0.2 4,-2.8 2,-0.2 5,-0.3 0.917 112.9 50.6 -65.9 -44.2 -3.9 62.9 -18.5 67 72 A S H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 116.9 42.0 -60.4 -42.0 -6.9 60.9 -19.7 68 73 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.883 114.7 50.5 -70.7 -42.1 -7.0 59.0 -16.4 69 74 A G H X S+ 0 0 0 -4,-2.7 4,-1.4 86,-0.3 -2,-0.2 0.880 113.1 45.9 -64.6 -39.4 -6.5 62.2 -14.4 70 75 A K H X S+ 0 0 76 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.924 110.8 50.4 -70.7 -47.1 -9.2 64.1 -16.2 71 76 A A H X S+ 0 0 3 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.926 112.7 49.3 -56.8 -43.8 -11.8 61.3 -16.0 72 77 A N H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.806 106.8 54.3 -66.0 -32.3 -11.1 61.0 -12.3 73 78 A E H X S+ 0 0 72 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.919 110.9 46.8 -66.9 -42.1 -11.4 64.8 -11.7 74 79 A Q H X S+ 0 0 53 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 112.6 48.7 -64.7 -45.6 -14.8 64.7 -13.4 75 80 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.879 108.4 53.9 -63.8 -38.8 -16.0 61.7 -11.3 76 81 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.862 107.5 52.3 -64.3 -34.6 -14.8 63.3 -8.1 77 82 A A H X S+ 0 0 50 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.957 111.5 45.3 -64.8 -50.1 -16.9 66.3 -8.9 78 83 A V H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 115.5 46.5 -59.6 -46.3 -20.0 64.2 -9.5 79 84 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.905 109.2 53.2 -65.1 -42.9 -19.5 62.1 -6.4 80 85 A A H X S+ 0 0 14 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.908 109.3 54.0 -57.0 -40.1 -18.8 65.1 -4.2 81 86 A E H X S+ 0 0 105 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.938 111.7 39.0 -59.9 -55.1 -22.1 66.5 -5.5 82 87 A T H <>S+ 0 0 5 -4,-2.0 5,-1.8 1,-0.2 3,-0.2 0.894 113.9 55.1 -66.8 -39.3 -24.3 63.5 -4.6 83 88 A Q H ><5S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.864 103.8 57.7 -58.9 -36.7 -22.6 63.0 -1.3 84 89 A K H 3<5S+ 0 0 132 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 100.7 54.3 -61.4 -42.4 -23.3 66.6 -0.5 85 90 A N T 3<5S- 0 0 113 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.384 123.3-108.1 -74.7 5.2 -27.1 66.0 -0.9 86 91 A G T < 5S+ 0 0 32 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.776 73.3 137.1 74.7 29.9 -26.7 63.2 1.6 87 92 A T < - 0 0 18 -5,-1.8 2,-0.6 -86,-0.1 -1,-0.2 -0.718 57.8-112.5-107.2 157.7 -27.1 60.3 -0.8 88 93 A I E -b 3 0A 5 -86,-3.3 -84,-2.9 -2,-0.3 2,-0.3 -0.796 33.3-143.2 -90.8 123.5 -25.1 57.0 -0.9 89 94 A S E -bc 4 267A 0 177,-1.4 179,-1.5 -2,-0.6 2,-0.4 -0.646 14.7-169.6 -90.4 143.2 -23.0 56.8 -4.1 90 95 A V E -bc 5 268A 0 -86,-2.2 -84,-2.8 -2,-0.3 2,-0.6 -0.962 7.7-160.4-132.4 111.0 -22.5 53.6 -6.0 91 96 A V E -bc 6 269A 0 177,-3.2 179,-2.7 -2,-0.4 2,-0.5 -0.859 1.0-160.0 -99.1 123.0 -19.8 53.7 -8.7 92 97 A L E -bc 7 270A 0 -86,-2.1 -84,-3.2 -2,-0.6 2,-0.3 -0.885 32.8-132.9 -98.5 125.3 -20.0 51.0 -11.4 93 98 A G E -b 8 0A 0 177,-2.6 180,-0.6 -2,-0.5 3,-0.1 -0.726 48.0-174.5-111.3 150.6 -16.7 50.6 -13.2 94 99 A G S S- 0 0 0 -86,-1.7 178,-2.4 -2,-0.3 179,-0.3 0.598 87.2 -17.2 -4.8-169.1 -14.4 50.3 -15.6 95 100 A D S > S- 0 0 0 -85,-1.6 3,-2.0 176,-0.2 -1,-0.2 -0.274 71.2-103.0 -74.9 157.9 -11.0 49.7 -14.0 96 101 A H G > S+ 0 0 0 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.542 105.2 84.8 -58.4 -10.0 -10.1 50.4 -10.4 97 102 A S G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.816 76.3 73.6 -65.4 -23.1 -8.2 53.6 -11.2 98 103 A M G <> S+ 0 0 0 -3,-2.0 4,-1.6 1,-0.3 -1,-0.3 0.399 75.2 80.7 -70.0 6.1 -11.6 55.3 -11.0 99 104 A A H <> S+ 0 0 0 -3,-1.8 4,-2.5 2,-0.2 5,-0.4 0.720 80.6 66.9 -81.5 -23.3 -11.3 54.8 -7.2 100 105 A I H <> S+ 0 0 0 -3,-2.0 4,-1.9 -4,-0.2 -2,-0.2 0.962 109.1 34.3 -59.4 -53.9 -9.1 57.9 -7.1 101 106 A G H > S+ 0 0 0 -4,-0.4 4,-2.7 2,-0.2 5,-0.3 0.894 117.1 54.1 -69.1 -42.5 -12.0 60.1 -8.2 102 107 A S H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.905 116.4 37.0 -59.1 -45.1 -14.7 58.1 -6.3 103 108 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.843 115.2 55.0 -78.2 -34.3 -12.9 58.3 -2.9 104 109 A S H X S+ 0 0 7 -4,-1.9 4,-1.5 -5,-0.4 -2,-0.2 0.969 111.0 44.2 -62.8 -53.1 -11.6 61.9 -3.5 105 110 A G H X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.2 3,-0.4 0.919 114.5 50.9 -56.5 -44.1 -15.1 63.2 -4.1 106 111 A H H >X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.3 3,-0.6 0.889 107.2 53.3 -60.7 -42.3 -16.4 61.2 -1.1 107 112 A A H 3< S+ 0 0 7 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.779 96.6 66.6 -65.8 -29.3 -13.7 62.5 1.2 108 113 A R H 3< S+ 0 0 131 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.877 114.7 30.1 -60.1 -37.7 -14.5 66.2 0.3 109 114 A V H << S+ 0 0 48 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.821 134.1 31.7 -89.5 -38.3 -17.9 65.7 2.0 110 115 A H >< + 0 0 50 -4,-2.5 3,-1.4 -5,-0.2 -1,-0.2 -0.742 65.0 170.7-123.4 81.4 -16.9 63.1 4.6 111 116 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 76.2 59.3 -63.5 -19.1 -13.2 63.8 5.5 112 117 A D T 3 S+ 0 0 80 -3,-0.1 -5,-0.1 52,-0.1 52,-0.0 0.196 78.6 129.0 -98.6 17.7 -13.3 61.3 8.3 113 118 A L < - 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0 0 6 -5,-1.5 2,-0.3 -6,-0.2 -1,-0.2 -0.510 29.2-121.9 -73.2 131.8 -1.2 49.4 6.9 191 196 A K E +f 170 0A 72 -22,-0.6 -20,-1.5 -25,-0.5 2,-0.3 -0.552 43.6 161.5 -75.2 135.1 -3.7 46.9 8.3 192 197 A Y E -f 171 0A 33 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.988 36.7-149.0-153.4 157.2 -4.5 44.0 5.9 193 198 A F E -f 172 0A 3 -22,-1.7 -20,-2.6 -2,-0.3 -19,-0.6 -0.877 23.1-169.3-130.5 94.3 -5.9 40.5 5.8 194 199 A S E >> -f 174 0A 0 -2,-0.4 4,-1.8 -21,-0.2 3,-1.5 -0.316 47.4 -88.0 -76.5 169.2 -4.3 38.5 3.0 195 200 A M H 3> S+ 0 0 0 -21,-2.2 4,-2.3 1,-0.3 5,-0.1 0.807 128.6 61.3 -50.7 -29.6 -5.8 35.2 2.1 196 201 A T H 3> S+ 0 0 16 -22,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.870 104.1 47.0 -69.7 -31.7 -3.6 33.6 4.8 197 202 A E H <> S+ 0 0 41 -3,-1.5 4,-3.8 2,-0.2 5,-0.5 0.878 111.8 51.8 -72.6 -35.8 -5.2 35.6 7.6 198 203 A V H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.889 111.7 47.6 -65.4 -37.8 -8.6 34.8 6.2 199 204 A D H < S+ 0 0 20 -4,-2.3 635,-0.6 -5,-0.3 -2,-0.2 0.940 117.0 42.3 -66.6 -46.9 -7.6 31.1 6.2 200 205 A K H < S+ 0 0 104 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.919 127.6 27.7 -65.3 -48.6 -6.2 31.4 9.7 201 206 A L H < S- 0 0 59 -4,-3.8 4,-0.4 -5,-0.1 -3,-0.2 0.875 100.0-121.9 -87.6 -39.7 -9.1 33.5 11.2 202 207 A G >X - 0 0 28 -4,-1.8 4,-1.9 -5,-0.5 3,-0.5 0.111 32.9 -90.4 101.6 137.5 -12.2 32.7 9.2 203 208 A I H 3> S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.826 124.5 63.9 -52.6 -32.1 -14.1 35.5 7.4 204 209 A G H 3> S+ 0 0 6 310,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.943 107.3 37.9 -57.1 -53.5 -16.2 35.9 10.6 205 210 A K H <> S+ 0 0 83 -3,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.835 110.8 61.9 -68.7 -33.4 -13.3 37.0 12.8 206 211 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.950 106.5 44.1 -58.9 -49.1 -11.7 39.1 10.0 207 212 A M H X S+ 0 0 1 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.880 109.7 57.4 -64.0 -36.2 -14.7 41.3 9.8 208 213 A E H X S+ 0 0 101 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.923 111.5 42.8 -60.0 -44.2 -14.9 41.6 13.5 209 214 A E H X S+ 0 0 54 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.868 108.1 55.2 -73.8 -36.0 -11.3 42.9 13.6 210 215 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.840 111.7 47.9 -67.7 -26.9 -11.5 45.3 10.7 211 216 A F H X S+ 0 0 30 -4,-1.7 4,-2.6 2,-0.2 5,-0.4 0.880 111.0 47.4 -78.0 -40.5 -14.4 47.0 12.4 212 217 A S H X S+ 0 0 78 -4,-1.8 4,-0.5 3,-0.2 -2,-0.2 0.803 116.0 48.7 -70.7 -24.8 -12.8 47.2 15.8 213 218 A Y H < S+ 0 0 76 -4,-2.0 4,-0.2 -5,-0.2 -2,-0.2 0.939 122.9 28.5 -77.6 -48.4 -9.7 48.6 14.1 214 219 A L H < S+ 0 0 6 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.753 136.5 25.5 -84.6 -28.6 -11.5 51.2 11.9 215 220 A L H < S+ 0 0 15 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.385 88.2 103.0-116.7 -1.0 -14.5 52.1 14.1 216 221 A G S < S+ 0 0 45 -4,-0.5 -3,-0.1 -5,-0.4 3,-0.1 0.901 97.3 23.2 -49.9 -49.2 -13.3 51.2 17.6 217 222 A R S S+ 0 0 228 1,-0.3 2,-0.4 -4,-0.2 -1,-0.1 0.958 134.3 16.3 -82.9 -61.1 -12.7 54.8 18.6 218 223 A K S S- 0 0 149 -4,-0.2 2,-0.5 2,-0.0 -1,-0.3 -0.941 70.0-130.4-120.6 138.4 -15.0 56.9 16.3 219 224 A K + 0 0 141 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.0 -0.744 42.7 168.4 -82.1 129.1 -17.9 55.7 14.2 220 225 A R - 0 0 30 -2,-0.5 -107,-0.1 -110,-0.0 -106,-0.1 -0.968 40.7 -80.0-143.6 158.4 -17.4 57.1 10.7 221 226 A P - 0 0 26 0, 0.0 -107,-1.9 0, 0.0 2,-0.4 -0.253 46.8-136.7 -55.6 143.7 -18.8 56.7 7.1 222 227 A I E -dg 114 265A 1 42,-2.5 44,-2.7 -109,-0.2 45,-1.8 -0.897 11.8-160.3-109.8 133.0 -17.4 53.7 5.3 223 228 A H E -dg 115 267A 0 -109,-2.6 -107,-2.2 -2,-0.4 2,-0.7 -0.943 10.2-162.2-110.2 112.6 -16.3 53.6 1.7 224 229 A L E -dg 116 268A 0 43,-3.1 45,-2.3 -2,-0.6 2,-0.8 -0.858 5.1-171.4 -99.4 111.3 -16.2 50.1 0.3 225 230 A S E -dg 117 269A 0 -109,-1.6 -107,-2.1 -2,-0.7 2,-0.6 -0.900 11.5-166.9-102.0 110.2 -14.1 49.8 -2.9 226 231 A F E -dg 118 270A 3 43,-2.2 45,-2.7 -2,-0.8 2,-0.7 -0.873 13.4-165.9-107.3 113.9 -14.7 46.3 -4.2 227 232 A D E > - g 0 271A 0 -109,-3.2 3,-2.6 -2,-0.6 45,-0.2 -0.868 19.6-142.6 -95.2 115.7 -12.5 44.8 -6.9 228 233 A V G > S+ 0 0 2 43,-2.0 3,-1.6 -2,-0.7 -1,-0.1 0.727 96.5 70.7 -51.0 -24.9 -14.3 41.8 -8.3 229 234 A D G 3 S+ 0 0 4 1,-0.3 14,-0.4 42,-0.2 -1,-0.3 0.493 74.5 86.8 -75.1 4.0 -11.0 39.9 -8.6 230 235 A G G < S+ 0 0 0 -3,-2.6 17,-1.9 -112,-0.3 -1,-0.3 0.651 83.5 67.2 -74.1 -14.4 -11.0 39.8 -4.9 231 236 A L B < S-j 247 0D 2 -3,-1.6 12,-0.3 15,-0.2 17,-0.2 -0.670 107.1 -83.3-100.4 162.5 -13.1 36.6 -5.2 232 237 A D >> - 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