==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-APR-04 1T4R . COMPND 2 MOLECULE: ARGINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR E.CAMA,S.PETHE,J.-L.BOUCHER,H.SHOUFA,F.A.EMIG,D.E.ASH, . 942 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 665 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 147 15.6 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 . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.9 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 . 13 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 0 3 3 5 0 2 1 3 0 5 0 0 0 0 3 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 9 3 9 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 0 144 0, 0.0 40,-2.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 151.3 20.9 26.2 -2.6 2 7 A P E -a 41 0A 46 0, 0.0 86,-2.5 0, 0.0 2,-0.4 -0.631 360.0-155.8 -97.4 155.0 21.2 27.2 1.1 3 8 A I E -ab 42 88A 1 38,-2.7 40,-2.4 -2,-0.2 2,-0.5 -0.973 1.8-163.2-125.7 140.9 18.5 28.3 3.5 4 9 A E E -ab 43 89A 10 84,-2.6 86,-2.4 -2,-0.4 2,-0.5 -0.939 7.7-153.7-129.7 112.5 18.9 30.5 6.6 5 10 A I E -ab 44 90A 0 38,-1.9 40,-2.3 -2,-0.5 41,-0.5 -0.714 13.6-170.7 -83.2 124.9 16.2 30.6 9.3 6 11 A I E -ab 46 91A 0 84,-2.4 86,-2.6 -2,-0.5 2,-0.4 -0.973 13.5-142.1-122.0 120.4 16.2 33.8 11.3 7 12 A G E -ab 47 92A 0 39,-2.3 41,-2.3 -2,-0.5 86,-0.1 -0.655 16.4-177.7 -84.2 131.7 14.1 34.2 14.3 8 13 A A E - b 0 93A 0 84,-2.7 2,-3.7 -2,-0.4 86,-1.3 -0.506 1.7-179.2-124.5 61.7 12.4 37.6 14.9 9 14 A P + 0 0 35 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.240 33.2 142.6 -63.1 63.7 10.6 37.1 18.3 10 15 A F + 0 0 10 -2,-3.7 85,-1.5 9,-0.2 84,-0.4 -0.818 23.8 161.2-110.4 148.2 9.3 40.7 18.2 11 16 A S > + 0 0 25 -2,-0.3 3,-1.9 83,-0.2 5,-0.1 0.492 49.3 96.7-142.1 -7.9 5.9 42.0 19.2 12 17 A K T 3 + 0 0 62 1,-0.3 123,-0.4 83,-0.1 56,-0.2 0.515 68.9 85.5 -66.4 -0.7 5.9 45.8 19.8 13 18 A G T 3 S+ 0 0 0 122,-0.1 123,-3.2 121,-0.1 124,-0.3 0.672 105.1 11.5 -72.1 -15.0 4.6 46.1 16.3 14 19 A Q S < S- 0 0 14 -3,-1.9 -1,-0.1 121,-0.2 81,-0.1 -0.967 81.2-103.8-155.5 165.7 1.1 45.6 17.8 15 20 A P S S+ 0 0 93 0, 0.0 2,-0.6 0, 0.0 -3,-0.1 0.529 84.8 94.6 -70.8 -12.7 -0.8 45.5 21.2 16 21 A R > - 0 0 126 -5,-0.1 3,-0.8 1,-0.0 -2,-0.1 -0.755 67.4-138.7 -94.2 120.1 -1.2 41.7 21.6 17 22 A G T 3 S+ 0 0 52 -2,-0.6 259,-0.1 1,-0.2 -5,-0.0 -0.391 75.9 52.6 -71.2 146.2 1.3 39.8 23.6 18 23 A G T > + 0 0 1 -2,-0.1 3,-2.1 257,-0.1 4,-0.2 -0.045 67.8 100.0 123.8 -37.2 2.4 36.4 22.4 19 24 A V G X S+ 0 0 0 -3,-0.8 3,-3.3 1,-0.3 -9,-0.2 0.863 76.9 67.8 -52.2 -37.3 3.6 36.8 18.8 20 25 A E G 3 S+ 0 0 52 1,-0.3 4,-0.4 -11,-0.2 -1,-0.3 0.828 92.5 61.2 -52.8 -29.2 7.2 36.9 20.0 21 26 A K G <> S+ 0 0 104 -3,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.526 78.8 97.7 -75.9 -2.1 6.6 33.2 20.9 22 27 A G H <> S+ 0 0 0 -3,-3.3 4,-2.6 251,-0.2 3,-0.3 0.933 80.0 46.4 -50.8 -59.3 6.0 32.5 17.2 23 28 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.879 110.3 54.2 -53.6 -41.8 9.5 31.3 16.3 24 29 A A H > S+ 0 0 57 -4,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.902 111.4 45.6 -60.9 -41.4 9.6 29.0 19.4 25 30 A A H X S+ 0 0 20 -4,-2.0 4,-0.6 -3,-0.3 -1,-0.2 0.959 111.6 51.0 -65.7 -52.3 6.3 27.4 18.3 26 31 A L H ><>S+ 0 0 0 -4,-2.6 5,-1.5 1,-0.2 3,-0.6 0.866 114.2 43.5 -54.5 -41.0 7.3 27.0 14.7 27 32 A R H ><5S+ 0 0 49 -4,-2.5 3,-3.4 1,-0.2 5,-0.2 0.919 104.6 63.5 -70.8 -43.1 10.6 25.3 15.6 28 33 A K H 3<5S+ 0 0 181 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.639 99.9 57.3 -53.5 -16.0 8.8 23.2 18.3 29 34 A A T <<5S- 0 0 27 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.405 123.9-103.7 -97.5 -2.0 7.0 21.7 15.3 30 35 A G T <>5 + 0 0 14 -3,-3.4 4,-3.9 3,-0.1 5,-0.4 0.675 67.7 150.6 88.1 19.4 10.1 20.6 13.5 31 36 A L H > S+ 0 0 7 -5,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.947 116.8 44.3 -73.5 -47.7 14.0 23.1 10.8 33 38 A E H > S+ 0 0 112 1,-0.2 4,-0.9 -6,-0.2 -2,-0.2 0.921 113.4 51.4 -61.9 -44.9 14.2 19.3 10.8 34 39 A K H < S+ 0 0 90 -4,-3.9 3,-0.2 1,-0.2 -1,-0.2 0.818 108.1 53.2 -62.7 -32.2 11.4 19.0 8.2 35 40 A L H >< S+ 0 0 0 -4,-1.2 3,-3.2 -5,-0.4 5,-0.4 0.930 99.1 61.3 -69.3 -43.7 13.2 21.5 6.0 36 41 A K H 3< S+ 0 0 124 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 93.1 67.5 -54.0 -26.2 16.4 19.5 6.1 37 42 A E T 3< S+ 0 0 153 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.537 91.8 79.8 -72.3 -4.9 14.4 16.7 4.5 38 43 A T S < S- 0 0 28 -3,-3.2 262,-0.1 2,-0.2 -3,-0.0 -0.280 102.9 -94.3 -92.0-177.3 14.2 18.8 1.3 39 44 A E S S+ 0 0 130 260,-0.4 2,-0.3 -2,-0.1 -3,-0.1 0.299 96.9 93.2 -81.8 9.5 16.8 19.4 -1.4 40 45 A Y S S- 0 0 36 -5,-0.4 2,-0.5 259,-0.2 -2,-0.2 -0.757 78.0-121.1-105.3 154.4 18.1 22.5 0.4 41 46 A N E -a 2 0A 128 -40,-2.2 -38,-2.7 -2,-0.3 2,-0.4 -0.786 34.0-152.0 -90.5 129.8 20.9 22.9 2.9 42 47 A V E +a 3 0A 24 -2,-0.5 2,-0.4 -40,-0.2 -38,-0.2 -0.905 19.1 178.5-114.4 132.8 19.5 24.4 6.1 43 48 A R E -a 4 0A 149 -40,-2.4 -38,-1.9 -2,-0.4 2,-0.7 -0.990 18.4-147.9-130.9 123.4 21.2 26.6 8.6 44 49 A D E -a 5 0A 56 -2,-0.4 -38,-0.1 -40,-0.2 3,-0.1 -0.815 8.4-171.0 -93.0 115.8 19.4 27.9 11.7 45 50 A H E - 0 0 69 -40,-2.3 -39,-0.2 -2,-0.7 -1,-0.1 0.604 39.1-132.4 -80.1 -11.3 20.9 31.3 12.7 46 51 A G E -a 6 0A 25 -41,-0.5 -39,-2.3 -3,-0.0 2,-0.3 -0.334 39.3 -43.4 85.9-175.4 18.8 31.2 15.9 47 52 A D E -a 7 0A 74 -41,-0.2 -39,-0.2 -2,-0.1 2,-0.2 -0.700 55.3-123.8 -92.0 143.2 16.7 34.0 17.3 48 53 A L - 0 0 14 -41,-2.3 2,-0.7 -2,-0.3 -2,-0.0 -0.532 20.5-130.3 -80.1 150.8 17.9 37.6 17.4 49 54 A A - 0 0 81 -2,-0.2 2,-0.6 -41,-0.1 -1,-0.0 -0.921 20.3-149.9-106.1 111.6 17.9 39.3 20.8 50 55 A F - 0 0 41 -2,-0.7 2,-0.4 -41,-0.2 21,-0.1 -0.733 8.7-135.9 -88.7 121.4 16.2 42.7 20.5 51 56 A V - 0 0 96 -2,-0.6 2,-0.6 1,-0.1 20,-0.1 -0.610 23.9-126.8 -75.0 122.6 17.4 45.4 22.9 52 57 A D - 0 0 102 -2,-0.4 -1,-0.1 1,-0.1 15,-0.1 -0.629 14.9-132.3 -79.6 116.6 14.4 47.2 24.4 53 58 A V > - 0 0 38 -2,-0.6 3,-0.7 11,-0.1 2,-0.2 -0.507 23.3-138.5 -68.0 115.5 14.5 51.0 24.1 54 59 A P T 3 S+ 0 0 111 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.514 82.2 17.6 -77.1 144.9 13.7 52.5 27.5 55 60 A N T 3 S+ 0 0 151 1,-0.2 2,-1.7 -2,-0.2 -2,-0.0 0.882 76.4 176.2 64.1 39.3 11.4 55.6 27.6 56 61 A D < - 0 0 19 -3,-0.7 8,-0.5 8,-0.0 -1,-0.2 -0.584 13.8-163.9 -79.4 84.6 10.1 54.9 24.1 57 62 A S - 0 0 59 -2,-1.7 9,-0.3 -3,-0.2 2,-0.1 -0.406 26.2 -98.0 -70.5 146.4 7.5 57.7 23.9 58 63 A P - 0 0 86 0, 0.0 2,-1.1 0, 0.0 5,-0.2 -0.416 26.7-130.2 -67.9 136.3 4.8 57.5 21.2 59 64 A F B > S-H 62 0B 43 3,-1.4 3,-1.6 -2,-0.1 2,-1.0 -0.763 70.5 -60.1 -87.8 101.0 5.5 59.6 18.1 60 65 A Q T 3 S- 0 0 130 -2,-1.1 73,-0.1 1,-0.3 68,-0.1 -0.450 124.2 -18.0 58.3 -98.9 2.1 61.4 17.8 61 66 A I T 3 S+ 0 0 84 -2,-1.0 72,-0.3 66,-0.3 -1,-0.3 0.750 112.4 104.2-105.5 -31.6 0.1 58.2 17.5 62 67 A V B < -H 59 0B 0 -3,-1.6 -3,-1.4 65,-0.2 2,-0.4 -0.244 64.4-137.1 -54.6 135.1 2.7 55.6 16.5 63 68 A K - 0 0 83 70,-1.8 72,-0.3 1,-0.2 5,-0.1 -0.776 69.3 -6.8-104.5 143.7 3.6 53.3 19.4 64 69 A N S > S+ 0 0 58 -8,-0.5 4,-2.3 -2,-0.4 5,-0.3 0.870 74.6 164.6 44.9 47.0 7.1 52.1 20.5 65 70 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.899 70.3 48.1 -58.2 -43.9 8.6 53.7 17.4 66 71 A R H > S+ 0 0 77 -9,-0.3 4,-2.4 2,-0.2 5,-0.2 0.875 111.8 48.9 -67.4 -38.3 12.2 53.5 18.7 67 72 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 116.5 42.3 -67.2 -44.6 11.9 49.8 19.7 68 73 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.876 114.3 52.7 -67.9 -39.4 10.4 48.8 16.4 69 74 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 86,-0.3 -2,-0.2 0.908 113.5 41.9 -63.6 -43.1 12.9 51.0 14.5 70 75 A K H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 111.9 54.3 -70.8 -44.1 15.9 49.5 16.3 71 76 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.890 112.1 44.4 -57.0 -43.3 14.6 45.9 16.0 72 77 A N H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.872 109.5 55.7 -70.7 -37.1 14.2 46.2 12.3 73 78 A E H X S+ 0 0 68 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.936 109.5 47.8 -59.7 -45.8 17.5 47.9 11.8 74 79 A Q H X S+ 0 0 52 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.941 113.5 46.6 -60.2 -49.3 19.2 44.9 13.5 75 80 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.903 107.7 56.2 -60.6 -44.0 17.3 42.4 11.4 76 81 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.842 105.8 53.3 -58.4 -33.5 18.0 44.2 8.1 77 82 A A H X S+ 0 0 50 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.965 111.7 44.4 -65.1 -50.8 21.7 43.9 9.0 78 83 A V H X S+ 0 0 24 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.858 114.5 48.0 -61.6 -41.3 21.4 40.2 9.5 79 84 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.907 109.5 52.8 -68.4 -41.3 19.3 39.6 6.4 80 85 A A H X S+ 0 0 12 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.926 108.9 52.8 -57.0 -45.0 21.6 41.7 4.2 81 86 A E H X S+ 0 0 103 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.884 112.1 41.1 -58.6 -48.3 24.5 39.5 5.5 82 87 A T H <>S+ 0 0 5 -4,-1.8 5,-2.2 2,-0.2 -1,-0.2 0.846 112.3 54.4 -72.9 -35.4 23.0 36.1 4.6 83 88 A Q H ><5S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.891 103.4 58.8 -63.3 -38.0 21.6 37.4 1.3 84 89 A K H 3<5S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.862 100.3 55.1 -56.5 -39.8 25.2 38.4 0.6 85 90 A N T 3<5S- 0 0 108 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.233 121.8-112.2 -80.1 16.7 26.3 34.8 1.0 86 91 A G T < 5S+ 0 0 33 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.714 72.3 139.0 59.4 24.1 23.8 34.0 -1.6 87 92 A T < - 0 0 15 -5,-2.2 2,-0.5 -86,-0.1 -1,-0.2 -0.684 58.0-114.2 -97.8 154.2 21.5 32.1 0.9 88 93 A I E -b 3 0A 4 -86,-2.5 -84,-2.6 -2,-0.3 2,-0.4 -0.747 32.4-139.1 -85.9 129.5 17.7 32.4 0.9 89 94 A S E -bc 4 267A 0 177,-1.5 179,-2.0 -2,-0.5 2,-0.5 -0.762 16.9-170.4 -95.6 136.5 16.5 34.0 4.1 90 95 A V E -bc 5 268A 0 -86,-2.4 -84,-2.4 -2,-0.4 2,-0.4 -0.910 10.0-160.2-126.6 101.7 13.5 32.8 5.9 91 96 A V E -bc 6 269A 0 177,-2.8 179,-2.2 -2,-0.5 2,-0.6 -0.692 4.2-152.8 -87.8 129.7 12.3 35.1 8.7 92 97 A L E -bc 7 270A 0 -86,-2.6 -84,-2.7 -2,-0.4 179,-0.2 -0.891 28.8-141.0-102.9 114.5 10.1 33.8 11.5 93 98 A G E -b 8 0A 0 177,-2.1 180,-0.2 -2,-0.6 2,-0.2 -0.434 43.3-176.9 -79.0 149.1 7.8 36.5 13.1 94 99 A G S S- 0 0 0 -86,-1.3 178,-2.1 -84,-0.4 179,-0.4 0.379 88.8 -10.5 -38.8-146.3 6.4 37.9 15.8 95 100 A D S > S- 0 0 0 -85,-1.5 3,-1.3 176,-0.2 -1,-0.3 -0.035 73.5-106.1 -65.5 165.0 4.3 40.6 14.1 96 101 A H G > S+ 0 0 0 1,-0.3 3,-2.2 2,-0.1 4,-0.2 0.609 102.1 85.6 -68.8 -13.6 4.5 41.8 10.5 97 102 A S G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.693 75.2 73.0 -64.6 -13.9 6.3 45.1 11.3 98 103 A M G <> S+ 0 0 0 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.456 75.9 82.9 -76.4 0.5 9.5 43.1 11.1 99 104 A A H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 5,-0.4 0.755 77.1 69.0 -72.9 -26.5 8.9 43.1 7.3 100 105 A I H <> S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.2 -1,-0.2 0.966 110.4 30.5 -55.0 -56.6 10.5 46.6 7.2 101 106 A G H > S+ 0 0 0 -4,-0.4 4,-3.0 2,-0.2 5,-0.3 0.869 116.4 58.7 -72.7 -38.1 13.9 45.2 8.0 102 107 A S H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.928 115.6 34.9 -57.2 -48.3 13.4 41.8 6.4 103 108 A I H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.816 116.5 56.1 -76.4 -32.6 12.7 43.4 3.0 104 109 A S H X S+ 0 0 7 -4,-1.6 4,-1.9 -5,-0.4 -2,-0.2 0.961 109.2 44.5 -64.5 -53.7 15.2 46.2 3.5 105 110 A G H >X S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 4,-1.0 0.987 115.0 49.6 -51.8 -60.4 18.1 44.0 4.1 106 111 A H H >X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 3,-0.8 0.867 107.3 55.6 -44.0 -46.7 17.1 41.8 1.2 107 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.848 97.4 63.3 -58.0 -38.0 16.8 44.9 -1.0 108 113 A R H << S+ 0 0 134 -4,-1.9 -1,-0.2 -3,-1.3 -2,-0.2 0.842 114.7 31.4 -56.4 -37.5 20.4 45.9 -0.2 109 114 A V H << S+ 0 0 46 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.759 134.0 30.8 -91.2 -31.7 21.7 42.8 -1.9 110 115 A H >< + 0 0 52 -4,-2.5 3,-1.2 -5,-0.3 -1,-0.2 -0.731 63.4 171.1-130.4 82.9 18.9 42.5 -4.5 111 116 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.569 76.3 61.7 -68.3 -9.4 17.6 45.9 -5.4 112 117 A D T 3 S+ 0 0 77 -5,-0.1 2,-0.1 52,-0.1 -5,-0.1 0.118 76.8 130.2-105.7 24.1 15.6 44.5 -8.2 113 118 A L < - 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0 0 23 -2,-0.3 3,-2.9 -21,-0.2 4,-0.3 -0.595 36.9 -96.1-102.0 165.4 8.1 51.0 -5.8 166 171 A A T 3 S+ 0 0 4 1,-0.3 25,-0.6 -2,-0.2 3,-0.3 0.592 123.2 60.7 -52.7 -12.3 4.3 50.6 -6.2 167 172 A K T 3 S+ 0 0 107 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.626 96.4 57.8 -91.3 -17.4 5.2 48.6 -9.3 168 173 A D S < S+ 0 0 29 -3,-2.9 -53,-3.7 -54,-0.1 2,-0.4 0.325 94.8 78.9 -97.8 8.4 7.2 45.9 -7.5 169 174 A I E -e 115 0A 2 -3,-0.3 22,-0.8 -4,-0.3 2,-0.4 -0.929 48.6-176.8-125.1 144.9 4.4 44.8 -5.2 170 175 A V E -ef 116 191A 0 -55,-2.3 -53,-2.9 -2,-0.4 2,-0.4 -0.996 13.6-151.2-137.6 127.9 1.4 42.5 -5.5 171 176 A Y E -ef 117 192A 0 20,-1.6 22,-2.3 -2,-0.4 2,-0.4 -0.800 10.9-172.8-100.4 141.7 -1.2 41.9 -2.7 172 177 A I E +ef 118 193A 0 -55,-2.0 -53,-1.7 -2,-0.4 22,-0.2 -0.973 66.9 20.3-138.3 121.6 -3.1 38.6 -2.5 173 178 A G E S+ 0 0 0 20,-2.6 21,-0.2 -2,-0.4 22,-0.2 0.354 73.2 167.9 108.3 -2.4 -6.0 38.0 -0.1 174 179 A L E + f 0 194A 0 19,-0.6 21,-2.4 1,-0.1 22,-0.3 -0.114 16.0 135.2 -49.3 133.4 -7.0 41.6 0.8 175 180 A R + 0 0 19 -55,-2.9 -54,-0.2 19,-0.2 -1,-0.1 0.331 61.0 52.6-165.9 4.8 -10.3 41.9 2.7 176 181 A D + 0 0 71 -56,-1.9 2,-0.4 758,-0.1 -54,-0.2 -0.493 66.9 158.0-150.8 74.6 -9.9 44.3 5.5 177 182 A V - 0 0 21 756,-0.3 759,-0.3 -56,-0.2 -56,-0.1 -0.817 35.7-127.7-104.7 138.3 -8.5 47.5 4.2 178 183 A D > - 0 0 53 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.404 27.0-111.0 -79.2 158.9 -8.9 50.9 5.9 179 184 A P H > S+ 0 0 69 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.962 118.6 48.6 -53.3 -55.5 -10.2 53.9 4.0 180 185 A G H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 3,-0.1 0.896 113.5 47.8 -51.4 -45.3 -6.8 55.7 4.0 181 186 A E H > S+ 0 0 5 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.941 109.0 52.0 -62.4 -48.5 -5.1 52.6 2.8 182 187 A H H X S+ 0 0 9 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.787 110.0 51.3 -60.1 -27.4 -7.6 51.9 0.0 183 188 A Y H X S+ 0 0 19 -4,-1.9 4,-3.3 -5,-0.2 5,-0.2 0.937 109.8 49.8 -71.7 -49.4 -7.0 55.5 -1.1 184 189 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 6,-0.3 0.933 112.7 44.5 -54.3 -52.7 -3.3 54.9 -1.1 185 190 A I H X>S+ 0 0 1 -4,-2.8 5,-1.0 2,-0.2 4,-0.5 0.793 116.8 46.0 -66.9 -28.6 -3.4 51.7 -3.2 186 191 A K H <5S+ 0 0 90 -4,-1.2 3,-0.4 -5,-0.3 -2,-0.2 0.913 115.8 46.4 -77.4 -44.0 -5.9 53.2 -5.6 187 192 A T H <5S+ 0 0 71 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.926 115.1 44.5 -63.1 -47.9 -3.9 56.4 -6.0 188 193 A L H <5S- 0 0 38 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.572 107.0-122.6 -76.8 -8.8 -0.5 54.7 -6.4 189 194 A G T <5 + 0 0 40 -4,-0.5 -3,-0.2 -3,-0.4 -4,-0.1 0.718 44.4 176.9 75.4 21.3 -1.8 52.1 -8.9 190 195 A I < - 0 0 6 -5,-1.0 2,-0.3 -6,-0.3 -1,-0.2 -0.338 29.1-122.7 -61.8 134.9 -0.7 49.2 -6.7 191 196 A K E +f 170 0A 70 -22,-0.8 -20,-1.6 -25,-0.6 2,-0.3 -0.635 43.0 160.8 -82.5 134.3 -1.7 45.7 -8.2 192 197 A Y E -f 171 0A 32 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.992 37.8-148.1-153.5 155.7 -3.8 43.6 -5.9 193 198 A F E -f 172 0A 3 -22,-2.3 -20,-2.6 -2,-0.3 -19,-0.6 -0.893 25.1-168.3-127.6 96.0 -6.1 40.6 -5.8 194 199 A S E >> -f 174 0A 0 -2,-0.5 4,-1.8 -21,-0.2 3,-1.5 -0.329 45.6 -89.3 -76.5 168.3 -8.6 41.1 -3.0 195 200 A M H 3> S+ 0 0 0 -21,-2.4 4,-2.5 1,-0.3 5,-0.2 0.802 129.3 59.6 -50.4 -31.3 -10.8 38.1 -2.0 196 201 A T H 3> S+ 0 0 15 -22,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.872 104.9 48.1 -69.3 -32.9 -13.3 39.2 -4.6 197 202 A E H <> S+ 0 0 41 -3,-1.5 4,-3.3 2,-0.2 5,-0.4 0.870 110.9 51.0 -73.2 -33.5 -10.7 38.9 -7.4 198 203 A V H X S+ 0 0 1 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.937 111.9 47.3 -66.7 -44.6 -9.7 35.4 -6.2 199 204 A D H < S+ 0 0 20 -4,-2.5 635,-0.6 -5,-0.2 -2,-0.2 0.936 117.2 43.3 -60.3 -47.8 -13.4 34.4 -6.1 200 205 A K H < S+ 0 0 108 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.931 127.8 27.0 -62.8 -49.7 -13.9 35.8 -9.6 201 206 A L H < S- 0 0 55 -4,-3.3 4,-0.4 -5,-0.2 -3,-0.2 0.861 101.4-119.8 -87.7 -36.7 -10.7 34.5 -11.2 202 207 A G X - 0 0 30 -4,-2.9 4,-2.2 -5,-0.4 3,-0.4 0.136 32.6 -90.9 100.0 135.8 -9.7 31.3 -9.2 203 208 A I H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.803 125.2 60.8 -51.6 -29.4 -6.4 31.0 -7.4 204 209 A G H > S+ 0 0 5 310,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.952 105.8 40.9 -63.8 -54.8 -5.0 29.6 -10.5 205 210 A K H > S+ 0 0 87 -4,-0.4 4,-2.8 -3,-0.4 -1,-0.2 0.892 112.8 58.0 -62.4 -38.4 -5.5 32.6 -12.8 206 211 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.963 107.1 45.0 -56.0 -55.8 -4.5 34.9 -10.0 207 212 A M H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.894 111.3 55.4 -56.2 -40.4 -1.1 33.4 -9.6 208 213 A E H X S+ 0 0 112 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.951 111.7 43.2 -58.2 -49.7 -0.7 33.4 -13.3 209 214 A E H X S+ 0 0 46 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.967 107.4 57.0 -63.2 -53.0 -1.3 37.1 -13.5 210 215 A T H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.817 110.3 47.9 -49.2 -33.7 0.8 38.1 -10.6 211 216 A F H X S+ 0 0 28 -4,-1.6 4,-3.3 -5,-0.2 5,-0.5 0.931 110.7 46.6 -74.9 -47.1 3.8 36.5 -12.3 212 217 A S H X S+ 0 0 79 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.771 115.2 51.3 -66.1 -23.3 3.3 38.0 -15.7 213 218 A Y H < S+ 0 0 67 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.818 122.6 27.3 -81.0 -33.4 2.8 41.3 -13.9 214 219 A L H < S+ 0 0 7 -4,-1.4 -2,-0.2 -5,-0.3 -3,-0.2 0.626 138.5 25.1-102.1 -18.9 6.0 41.1 -11.8 215 220 A L H < S+ 0 0 14 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.1 0.349 86.4 105.9-125.7 -0.6 8.1 38.9 -14.1 216 221 A G S < S+ 0 0 47 -4,-0.6 3,-0.1 -5,-0.5 -3,-0.1 0.930 98.7 19.6 -46.2 -53.6 6.7 39.6 -17.5 217 222 A R S S+ 0 0 224 1,-0.3 2,-0.5 -5,-0.2 -2,-0.1 0.970 133.6 19.1 -80.8 -77.9 9.7 41.7 -18.5 218 223 A K S S- 0 0 139 -4,-0.2 2,-0.3 0, 0.0 -1,-0.3 -0.866 70.8-131.7-103.5 129.5 12.6 40.9 -16.2 219 224 A K + 0 0 136 -2,-0.5 -4,-0.1 -3,-0.1 -3,-0.0 -0.568 42.8 170.3 -71.0 128.7 12.9 37.8 -14.1 220 225 A R - 0 0 31 -2,-0.3 -107,-0.1 -6,-0.1 -106,-0.1 -0.937 39.5 -76.5-142.7 164.8 13.9 38.9 -10.6 221 226 A P - 0 0 25 0, 0.0 -107,-2.0 0, 0.0 2,-0.5 -0.273 48.3-138.0 -56.3 140.4 14.3 37.7 -7.0 222 227 A I E -dg 114 265A 0 42,-2.2 44,-2.5 -109,-0.2 45,-1.7 -0.907 11.7-160.5-109.9 128.8 11.0 37.2 -5.2 223 228 A H E -dg 115 267A 0 -109,-2.9 -107,-2.2 -2,-0.5 2,-0.7 -0.894 9.0-162.8-106.7 108.5 10.3 38.3 -1.6 224 229 A L E -dg 116 268A 0 43,-2.8 45,-1.9 -2,-0.7 2,-0.8 -0.808 5.7-172.7 -94.0 113.4 7.3 36.5 -0.2 225 230 A S E -dg 117 269A 0 -109,-2.2 -107,-1.2 -2,-0.7 2,-0.8 -0.888 12.3-167.3-105.2 102.5 5.9 38.2 2.9 226 231 A F E -dg 118 270A 2 43,-2.5 45,-2.1 -2,-0.8 2,-0.8 -0.785 12.1-164.7-102.6 105.8 3.3 35.8 4.2 227 232 A D E > - g 0 271A 1 -109,-2.9 3,-2.1 -2,-0.8 4,-0.2 -0.745 17.0-144.9 -85.4 116.6 0.9 37.0 6.9 228 233 A V G > S+ 0 0 1 43,-1.9 3,-1.3 -2,-0.8 -1,-0.2 0.713 94.8 70.7 -55.7 -20.5 -0.7 33.9 8.3 229 234 A D G 3 S+ 0 0 2 1,-0.2 14,-0.3 42,-0.1 -1,-0.3 0.344 76.6 82.8 -80.7 11.3 -4.0 35.9 8.7 230 235 A G G < S+ 0 0 0 -3,-2.1 17,-2.0 -112,-0.2 -1,-0.2 0.653 82.5 70.0 -83.8 -17.8 -4.4 35.9 5.0 231 236 A L B < S-j 247 0D 1 -3,-1.3 12,-0.3 15,-0.2 17,-0.2 -0.602 107.4 -82.1 -92.7 162.3 -5.9 32.4 5.2 232 237 A D >> - 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