==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-11 3THJ . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.D'ANTONIO,D.W.CHRISTIANSON . 631 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 2 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 . 1 0.2 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 . 57 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 1 3 0 0 2 2 0 0 2 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 5 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 R 0 0 96 0, 0.0 40,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 145.4 45.8 4.4 -4.7 2 7 A T E -a 41 0A 40 38,-0.2 86,-3.1 84,-0.1 2,-0.3 -0.841 360.0-165.0 -99.1 124.0 43.7 7.0 -3.0 3 8 A I E -ab 42 88A 0 38,-2.7 40,-2.0 -2,-0.6 2,-0.5 -0.813 22.4-160.9-115.6 148.0 41.3 5.8 -0.3 4 9 A G E -ab 43 89A 0 84,-2.8 86,-2.9 -2,-0.3 2,-0.4 -0.947 22.5-152.6-123.5 104.9 38.3 7.1 1.6 5 10 A I E -ab 44 90A 1 38,-2.5 40,-3.3 -2,-0.5 2,-0.4 -0.657 14.1-177.9 -85.6 132.1 37.9 5.2 4.8 6 11 A I E - b 0 91A 0 84,-2.8 86,-2.2 -2,-0.4 2,-0.4 -0.956 15.3-149.7-132.8 112.5 34.4 4.8 6.3 7 12 A G E -ab 47 92A 0 39,-2.5 41,-2.9 -2,-0.4 86,-0.2 -0.678 11.0-172.7 -82.4 129.5 33.7 3.0 9.6 8 13 A A - 0 0 0 84,-3.1 2,-2.2 -2,-0.4 86,-0.2 -0.693 2.1-173.7-123.7 78.9 30.3 1.4 9.7 9 14 A P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.464 35.7 136.9 -73.3 76.7 29.8 0.1 13.3 10 15 A F + 0 0 14 -2,-2.2 85,-1.7 9,-0.3 12,-0.1 -0.967 23.5 159.2-129.3 143.4 26.5 -1.7 12.7 11 16 A S > + 0 0 11 -2,-0.3 3,-2.1 83,-0.2 125,-0.1 0.475 46.8 102.6-137.1 -12.3 25.2 -5.1 13.7 12 17 A K T 3 + 0 0 81 1,-0.3 123,-0.3 55,-0.1 56,-0.2 0.440 67.2 79.2 -61.0 1.5 21.4 -5.1 13.5 13 18 A G T 3 S+ 0 0 1 121,-0.1 123,-2.7 122,-0.1 124,-0.3 0.536 109.2 13.5 -84.1 -7.7 21.5 -7.1 10.2 14 19 A Q S < S- 0 0 7 -3,-2.1 81,-0.1 121,-0.2 490,-0.0 -0.917 88.4 -95.3-153.1 175.5 22.1 -10.2 12.3 15 20 A P S S+ 0 0 41 0, 0.0 2,-0.4 0, 0.0 -4,-0.0 0.846 90.3 79.2 -69.4 -43.1 21.9 -11.4 16.0 16 21 A R > - 0 0 66 487,-0.1 3,-0.7 1,-0.1 486,-0.2 -0.587 60.3-158.3 -77.8 127.0 25.4 -11.1 17.5 17 22 A G G > S+ 0 0 10 484,-2.3 3,-1.7 -2,-0.4 485,-0.2 0.707 72.6 82.6 -78.6 -22.4 26.4 -7.6 18.5 18 23 A G G > S+ 0 0 3 484,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.591 71.6 83.2 -60.5 -10.0 30.2 -7.6 18.6 19 24 A V G X S+ 0 0 0 -3,-0.7 3,-1.8 1,-0.3 -1,-0.3 0.739 76.1 69.4 -66.3 -24.6 30.3 -7.0 14.8 20 25 A E G < S+ 0 0 58 -3,-1.7 4,-0.3 1,-0.3 -1,-0.3 0.619 89.4 66.3 -69.8 -8.0 29.9 -3.2 15.4 21 26 A E G <> S+ 0 0 86 -3,-1.6 4,-2.3 1,-0.2 5,-0.3 0.421 72.2 98.2 -90.1 -0.8 33.4 -3.3 16.8 22 27 A G H <> S+ 0 0 0 -3,-1.8 4,-2.0 251,-0.2 5,-0.3 0.919 79.8 50.0 -54.2 -50.1 34.9 -4.2 13.5 23 28 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.909 112.1 50.0 -57.1 -40.8 35.9 -0.6 12.6 24 29 A T H > S+ 0 0 47 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.938 111.7 43.8 -63.8 -51.9 37.7 -0.3 16.0 25 30 A V H X S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.828 114.3 51.1 -66.2 -30.7 39.7 -3.5 15.9 26 31 A L H <>S+ 0 0 1 -4,-2.0 5,-1.5 -5,-0.3 -1,-0.2 0.903 112.3 45.4 -72.4 -41.3 40.8 -2.9 12.3 27 32 A R H ><5S+ 0 0 50 -4,-2.1 3,-2.0 -5,-0.3 5,-0.3 0.922 111.3 54.4 -65.0 -44.1 41.9 0.6 13.0 28 33 A K H 3<5S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 97.9 62.0 -56.5 -40.4 43.7 -0.6 16.2 29 34 A A T 3<5S- 0 0 25 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.485 125.1-106.7 -66.4 -0.2 45.6 -3.2 14.1 30 35 A G T <>5 + 0 0 10 -3,-2.0 4,-2.8 3,-0.1 5,-0.2 0.823 64.3 156.7 79.7 34.4 47.0 -0.1 12.4 31 36 A L H > S+ 0 0 25 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.944 113.5 46.7 -65.6 -50.9 45.6 3.4 8.4 33 38 A E H > S+ 0 0 98 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.957 114.5 47.6 -55.7 -53.4 49.2 3.5 9.2 34 39 A K H < S+ 0 0 75 -4,-2.8 4,-0.3 2,-0.2 -1,-0.2 0.860 111.4 50.0 -58.9 -39.8 49.9 0.3 7.1 35 40 A L H ><>S+ 0 0 0 -4,-2.1 3,-1.9 -5,-0.2 5,-0.8 0.946 112.0 47.9 -64.5 -46.8 47.9 1.7 4.1 36 41 A K H 3<5S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.823 98.3 70.0 -61.5 -31.2 49.9 5.0 4.3 37 42 A E T 3<5S+ 0 0 143 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.661 99.9 59.0 -60.8 -14.7 53.0 2.8 4.5 38 43 A Q T < 5S- 0 0 30 -3,-1.9 2,-2.1 -4,-0.3 262,-0.1 -0.503 121.8 -80.3-103.2 175.8 52.2 2.0 0.9 39 44 A E T 5S+ 0 0 132 -2,-0.2 2,-0.4 260,-0.1 -3,-0.1 -0.020 88.3 140.9 -71.0 40.5 51.9 4.7 -1.9 40 45 A C < - 0 0 14 -2,-2.1 2,-0.9 -5,-0.8 -38,-0.2 -0.718 51.3-150.1 -95.0 134.5 48.4 5.3 -0.5 41 46 A D E -a 2 0A 86 -40,-1.7 -38,-2.7 -2,-0.4 2,-0.5 -0.860 30.3-167.8 -96.7 100.6 46.6 8.6 -0.0 42 47 A V E +a 3 0A 17 -2,-0.9 2,-0.5 -40,-0.2 -38,-0.2 -0.831 18.7 176.4-105.0 125.1 44.4 7.9 3.0 43 48 A K E -a 4 0A 87 -40,-2.0 -38,-2.5 -2,-0.5 2,-0.6 -0.977 18.6-149.2-124.1 118.2 41.6 10.0 4.3 44 49 A D E -a 5 0A 55 -2,-0.5 -38,-0.2 -40,-0.2 3,-0.1 -0.769 11.5-172.6 -89.8 122.2 39.5 8.7 7.2 45 50 A Y E - 0 0 35 -40,-3.3 -39,-0.1 -2,-0.6 -1,-0.1 0.370 42.9-131.4 -91.5 3.7 35.9 9.9 7.2 46 51 A G E - 0 0 26 -41,-0.3 -39,-2.5 2,-0.1 2,-0.5 -0.149 37.9 -41.8 77.7-174.3 35.5 8.4 10.6 47 52 A D E -a 7 0A 73 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.799 59.9-119.7 -93.3 128.3 32.8 6.1 12.0 48 53 A L - 0 0 17 -41,-2.9 2,-1.3 -2,-0.5 -2,-0.1 -0.409 25.4-121.9 -65.2 139.0 29.2 6.9 10.9 49 54 A P - 0 0 107 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.682 26.9-165.8 -87.4 90.7 27.1 7.6 14.0 50 55 A F - 0 0 31 -2,-1.3 21,-0.1 -41,-0.2 -2,-0.0 -0.618 13.8-151.2 -79.3 92.0 24.3 5.0 13.7 51 56 A A - 0 0 71 -2,-1.4 2,-0.2 1,-0.1 20,-0.1 -0.200 22.2 -97.3 -62.5 154.3 21.7 6.4 16.1 52 57 A D - 0 0 144 1,-0.1 -1,-0.1 2,-0.0 3,-0.1 -0.480 21.3-156.2 -75.9 140.6 19.3 3.9 17.9 53 58 A I - 0 0 52 -2,-0.2 14,-0.2 1,-0.1 13,-0.1 -0.828 12.6-176.3-116.2 85.6 15.8 3.3 16.5 54 59 A P S S+ 0 0 75 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.819 73.0 61.0 -51.0 -39.4 14.1 2.1 19.8 55 60 A N + 0 0 102 -3,-0.1 11,-0.0 1,-0.1 461,-0.0 -0.815 64.4 127.1 -97.3 101.8 10.8 1.4 17.9 56 61 A D + 0 0 20 -2,-0.9 8,-0.6 10,-0.1 3,-0.1 -0.358 29.4 177.5-154.8 64.5 11.6 -1.2 15.3 57 62 A S - 0 0 24 1,-0.1 9,-0.2 7,-0.1 5,-0.0 -0.346 44.1 -82.4 -68.8 152.6 9.3 -4.2 15.5 58 63 A P - 0 0 44 0, 0.0 2,-0.8 0, 0.0 5,-0.2 -0.098 28.3-131.7 -55.9 152.6 9.8 -7.0 12.9 59 64 A F B > S-H 62 0B 41 3,-2.4 3,-2.2 74,-0.1 2,-0.5 -0.940 76.2 -56.0-104.0 103.2 8.3 -6.7 9.4 60 65 A Q T 3 S- 0 0 117 -2,-0.8 68,-0.1 1,-0.3 0, 0.0 -0.446 123.9 -19.6 60.0-110.9 6.7 -10.1 9.2 61 66 A I T 3 S+ 0 0 58 -2,-0.5 -1,-0.3 66,-0.3 2,-0.2 0.665 114.5 106.8 -97.6 -22.1 9.8 -12.3 9.9 62 67 A V B < -H 59 0B 0 -3,-2.2 -3,-2.4 65,-0.2 2,-0.3 -0.423 62.6-140.3 -65.7 124.3 12.4 -9.6 9.0 63 68 A K - 0 0 46 70,-2.7 72,-0.4 -2,-0.2 5,-0.1 -0.673 66.6 -5.9 -97.5 141.7 14.2 -8.1 12.0 64 69 A N S > S+ 0 0 46 -8,-0.6 4,-2.5 -2,-0.3 5,-0.3 0.863 72.0 163.5 51.1 45.8 15.3 -4.5 12.7 65 70 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 70.8 46.9 -60.9 -39.7 14.2 -3.3 9.3 66 71 A R H > S+ 0 0 83 2,-0.2 4,-2.2 -9,-0.2 5,-0.2 0.889 114.1 47.7 -70.1 -38.1 14.1 0.4 10.2 67 72 A S H > S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 117.1 41.9 -67.8 -44.4 17.5 0.3 11.9 68 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.0 -56,-0.2 5,-0.2 0.924 114.8 51.6 -68.8 -44.5 19.1 -1.6 9.0 69 74 A G H X S+ 0 0 0 -4,-2.7 4,-1.6 86,-0.3 -2,-0.2 0.885 112.4 45.7 -59.7 -40.4 17.3 0.5 6.4 70 75 A K H X S+ 0 0 96 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.899 108.9 54.3 -70.6 -43.1 18.6 3.7 8.1 71 76 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.880 112.7 44.1 -58.9 -40.4 22.2 2.6 8.5 72 77 A S H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.845 111.3 53.2 -73.4 -35.3 22.4 1.8 4.8 73 78 A E H X S+ 0 0 64 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.907 113.7 43.9 -64.9 -41.0 20.7 5.0 3.8 74 79 A Q H X S+ 0 0 68 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.888 115.3 47.8 -69.6 -42.2 23.2 6.9 5.9 75 80 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.873 106.0 58.2 -67.3 -37.2 26.1 4.8 4.6 76 81 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.912 106.5 49.8 -58.8 -42.3 24.9 5.3 1.0 77 82 A G H X S+ 0 0 32 -4,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.909 111.9 46.9 -63.3 -42.9 25.2 9.0 1.4 78 83 A K H X S+ 0 0 47 -4,-1.7 4,-2.3 2,-0.2 3,-0.2 0.938 111.6 50.0 -65.3 -47.7 28.8 8.8 2.9 79 84 A V H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.880 109.5 51.1 -58.3 -41.6 30.0 6.4 0.1 80 85 A A H X S+ 0 0 5 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.2 0.825 109.7 53.3 -65.9 -30.2 28.6 8.7 -2.6 81 86 A E H X S+ 0 0 66 -4,-1.3 4,-0.7 -3,-0.2 -2,-0.2 0.934 110.4 43.6 -69.1 -50.2 30.5 11.6 -0.9 82 87 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 3,-0.7 0.884 113.8 52.0 -64.6 -37.9 33.9 9.8 -0.9 83 88 A K H ><5S+ 0 0 18 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.904 106.6 53.5 -65.0 -39.0 33.3 8.7 -4.5 84 89 A K H 3<5S+ 0 0 146 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.687 102.5 60.3 -66.9 -17.1 32.5 12.3 -5.4 85 90 A N T <<5S- 0 0 77 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.357 120.4-109.9 -90.1 3.5 35.9 13.1 -3.8 86 91 A G T < 5S+ 0 0 56 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.846 77.3 124.2 71.6 36.2 37.7 10.9 -6.2 87 92 A R < - 0 0 41 -5,-1.6 2,-0.6 -86,-0.1 -1,-0.3 -0.926 68.6-108.1-129.0 152.0 38.6 8.2 -3.7 88 93 A I E -b 3 0A 4 -86,-3.1 -84,-2.8 -2,-0.3 2,-0.3 -0.681 39.9-128.6 -77.7 116.7 38.1 4.5 -3.4 89 94 A S E -bc 4 267A 0 177,-1.2 179,-2.6 -2,-0.6 2,-0.6 -0.509 22.6-167.6 -70.0 129.6 35.5 4.0 -0.6 90 95 A L E -bc 5 268A 0 -86,-2.9 -84,-2.8 -2,-0.3 2,-0.8 -0.921 4.1-162.4-121.2 101.4 36.7 1.5 2.0 91 96 A V E -bc 6 269A 0 177,-3.2 179,-2.5 -2,-0.6 2,-1.0 -0.770 5.3-160.9 -90.7 111.5 33.9 0.5 4.3 92 97 A L E -bc 7 270A 1 -86,-2.2 -84,-3.1 -2,-0.8 179,-0.2 -0.801 37.1-163.5 -87.0 105.9 35.1 -1.1 7.5 93 98 A G - 0 0 1 177,-2.3 180,-0.3 -2,-1.0 2,-0.1 -0.203 42.9-152.8-102.9-175.9 31.9 -2.8 8.4 94 99 A G S S- 0 0 0 1,-0.5 178,-2.6 -86,-0.2 179,-0.3 0.173 81.6 -5.2-107.8-126.8 29.7 -4.5 10.9 95 100 A D S > S- 0 0 0 -85,-1.7 3,-1.5 176,-0.2 -1,-0.5 -0.169 73.2-108.4 -73.6 161.6 27.3 -6.9 9.2 96 101 A H G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.518 102.6 86.1 -66.3 -7.7 26.8 -7.5 5.5 97 102 A S G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.822 76.7 73.7 -62.5 -26.1 23.4 -5.8 5.3 98 103 A L G <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.3 3,-0.4 0.615 72.9 82.1 -60.8 -15.2 25.5 -2.6 4.9 99 104 A A H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 5,-0.5 0.816 81.3 65.7 -61.1 -29.4 26.2 -3.7 1.3 100 105 A I H <> S+ 0 0 0 -3,-1.9 4,-1.5 -4,-0.2 -1,-0.2 0.938 109.7 34.7 -57.9 -48.5 22.8 -2.2 0.4 101 106 A G H > S+ 0 0 0 -3,-0.4 4,-3.0 -4,-0.4 5,-0.3 0.896 117.5 52.8 -74.6 -40.5 24.0 1.3 1.3 102 107 A S H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.928 116.3 37.7 -61.8 -48.6 27.6 0.9 0.1 103 108 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.873 117.0 53.4 -72.1 -35.4 26.7 -0.4 -3.4 104 109 A S H X S+ 0 0 9 -4,-1.5 4,-1.0 -5,-0.5 -2,-0.2 0.943 112.7 42.3 -63.3 -48.9 23.8 2.0 -3.6 105 110 A G H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -1,-0.2 0.859 114.4 52.0 -65.6 -37.2 25.9 5.0 -2.8 106 111 A H H >X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.3 3,-0.9 0.919 107.7 52.0 -64.2 -45.0 28.7 3.8 -5.0 107 112 A A H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 96.7 68.2 -65.8 -23.9 26.3 3.3 -8.0 108 113 A R H 3< S+ 0 0 135 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.862 114.2 28.9 -64.7 -34.6 24.9 6.9 -7.6 109 114 A V H << S+ 0 0 47 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.764 136.9 28.4 -95.1 -29.2 28.3 8.2 -8.7 110 115 A H >< + 0 0 53 -4,-2.2 3,-1.8 -5,-0.1 -1,-0.2 -0.632 63.3 172.8-134.6 75.9 29.2 5.2 -10.9 111 116 A P T 3 S+ 0 0 101 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.641 76.3 63.8 -57.8 -17.3 26.1 3.5 -12.3 112 117 A D T 3 S+ 0 0 76 52,-0.1 -5,-0.1 2,-0.0 52,-0.0 0.288 76.2 137.1 -92.9 10.8 28.1 1.3 -14.6 113 118 A L < - 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0 0 18 -2,-0.4 3,-2.4 -21,-0.2 4,-0.1 -0.602 32.5-110.1 -91.1 154.5 21.5 -6.0 -13.0 166 171 A A G > S+ 0 0 3 1,-0.3 3,-0.7 -2,-0.2 25,-0.5 0.771 118.9 58.3 -53.8 -27.7 21.9 -9.8 -12.5 167 172 A K G 3 S+ 0 0 128 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.540 93.1 67.2 -82.0 -7.6 24.6 -9.7 -15.1 168 173 A D G < S+ 0 0 18 -3,-2.4 -53,-3.3 -54,-0.1 2,-0.4 0.153 90.9 71.4-100.6 18.9 26.8 -7.2 -13.2 169 174 A I E < -e 115 0A 1 -3,-0.7 22,-0.7 -55,-0.2 2,-0.4 -0.995 53.2-168.8-138.5 142.4 27.7 -9.4 -10.3 170 175 A V E -ef 116 191A 0 -55,-2.4 -53,-3.0 -2,-0.4 2,-0.4 -0.996 12.7-149.6-128.7 133.3 30.0 -12.4 -9.7 171 176 A Y E -ef 117 192A 0 20,-1.6 22,-1.6 -2,-0.4 2,-0.4 -0.808 12.6-173.3-101.0 143.0 30.0 -14.5 -6.5 172 177 A I E +ef 118 193A 0 -55,-2.3 -53,-1.9 -2,-0.4 22,-0.2 -0.980 63.4 20.4-139.5 124.7 33.2 -16.3 -5.4 173 178 A G E S+ 0 0 0 20,-2.4 21,-0.2 -2,-0.4 22,-0.2 0.399 71.2 167.1 105.3 -0.1 33.4 -18.8 -2.5 174 179 A L E + f 0 194A 2 19,-0.6 21,-2.9 1,-0.1 22,-0.3 -0.149 14.7 141.3 -52.8 135.4 29.8 -19.9 -2.1 175 180 A R + 0 0 53 -55,-2.7 -54,-0.2 19,-0.2 -1,-0.1 0.319 65.7 49.0-155.7 1.9 29.2 -23.0 0.1 176 181 A D + 0 0 75 -56,-1.9 2,-0.4 67,-0.1 -54,-0.3 -0.603 65.9 159.1-149.3 80.9 26.0 -22.3 2.1 177 182 A V - 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0 0 52 -4,-1.0 -3,-0.2 -5,-0.3 2,-0.2 0.868 41.5-176.7 71.0 36.8 21.5 -16.5 -14.6 190 195 A I < - 0 0 7 -5,-1.9 2,-0.4 -6,-0.3 -1,-0.2 -0.479 25.6-122.3 -71.4 134.9 23.8 -15.0 -12.0 191 196 A K E +f 170 0A 64 -22,-0.7 -20,-1.6 -25,-0.5 2,-0.3 -0.621 44.1 161.0 -78.6 129.3 27.5 -15.8 -12.5 192 197 A Y E -f 171 0A 48 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.980 36.6-155.2-149.3 158.7 29.1 -17.6 -9.6 193 198 A F E -f 172 0A 3 -22,-1.6 -20,-2.4 -2,-0.3 -19,-0.6 -0.899 24.0-170.2-135.3 98.0 32.0 -19.7 -8.6 194 199 A S E >> -f 174 0A 20 -2,-0.4 4,-1.9 -21,-0.2 3,-0.6 -0.238 48.3 -86.5 -78.7 178.3 31.1 -21.7 -5.5 195 200 A M H 3> S+ 0 0 16 -21,-2.9 4,-2.4 1,-0.2 5,-0.2 0.816 131.1 61.9 -58.6 -27.0 33.8 -23.7 -3.7 196 201 A T H 3> S+ 0 0 80 -22,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.922 104.9 45.1 -64.0 -44.1 33.1 -26.5 -6.1 197 202 A E H <> S+ 0 0 36 -3,-0.6 4,-3.0 2,-0.2 5,-0.5 0.849 111.4 52.7 -67.8 -36.4 34.2 -24.3 -9.1 198 203 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.926 111.2 47.2 -65.5 -42.5 37.3 -23.0 -7.2 199 204 A D H < S+ 0 0 125 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.908 116.5 45.5 -63.5 -41.7 38.3 -26.7 -6.6 200 205 A R H < S+ 0 0 158 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.942 128.9 19.9 -66.4 -52.0 37.6 -27.5 -10.2 201 206 A L H X S- 0 0 65 -4,-3.0 4,-0.5 -5,-0.1 -3,-0.2 0.735 101.8-120.5 -95.1 -26.1 39.4 -24.6 -11.9 202 207 A G H X - 0 0 31 -4,-2.3 4,-2.1 -5,-0.5 3,-0.3 0.081 33.1 -85.9 92.9 148.2 41.7 -23.2 -9.3 203 208 A I H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.781 125.2 63.3 -60.4 -28.2 41.6 -19.6 -8.1 204 209 A G H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.960 108.8 37.2 -62.0 -52.3 43.7 -18.5 -11.0 205 210 A K H X S+ 0 0 74 -4,-0.5 4,-2.9 -3,-0.3 5,-0.3 0.872 112.9 59.9 -67.5 -37.3 41.2 -19.5 -13.7 206 211 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.914 109.8 42.2 -55.6 -45.5 38.3 -18.4 -11.4 207 212 A M H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.855 111.0 55.2 -71.8 -36.0 39.7 -14.8 -11.4 208 213 A E H X S+ 0 0 119 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.966 114.3 41.2 -60.1 -49.9 40.6 -14.8 -15.1 209 214 A E H X S+ 0 0 53 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.854 112.6 55.0 -64.6 -39.8 36.9 -15.7 -15.8 210 215 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.960 113.0 39.9 -60.2 -52.4 35.5 -13.3 -13.2 211 216 A L H X S+ 0 0 24 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.858 116.6 50.1 -67.3 -36.1 37.3 -10.2 -14.6 212 217 A S H X S+ 0 0 80 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.896 110.1 52.5 -68.1 -38.9 36.7 -11.2 -18.2 213 218 A Y H < S+ 0 0 86 -4,-2.5 4,-0.3 -5,-0.2 -2,-0.2 0.899 120.3 31.8 -62.2 -44.2 33.0 -11.7 -17.3 214 219 A L H < S+ 0 0 4 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.756 130.9 32.4 -87.6 -26.8 32.7 -8.3 -15.8 215 220 A L H < S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.449 89.6 96.6-110.9 -2.1 35.2 -6.3 -17.9 216 221 A G S < S+ 0 0 52 -4,-1.8 3,-0.1 -5,-0.2 -3,-0.1 0.950 89.0 39.9 -51.5 -63.1 34.9 -8.0 -21.3 217 222 A R S S- 0 0 252 -4,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.920 136.9 -27.7 -54.7 -47.8 32.5 -5.7 -23.0 218 223 A K S S- 0 0 144 -4,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.980 70.2 -88.9-166.3 156.3 34.1 -2.7 -21.4 219 224 A K + 0 0 135 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.497 51.5 166.7 -71.2 141.2 36.2 -1.5 -18.5 220 225 A R - 0 0 30 -2,-0.2 -107,-0.1 -106,-0.0 -106,-0.1 -0.973 42.9 -78.5-151.4 156.6 33.9 -0.3 -15.6 221 226 A P - 0 0 22 0, 0.0 -107,-2.7 0, 0.0 2,-0.4 -0.291 46.6-136.4 -60.3 145.2 34.4 0.5 -11.9 222 227 A I E -dg 114 265A 0 42,-2.8 44,-3.4 -109,-0.2 45,-1.9 -0.897 12.5-162.2-110.1 133.0 34.7 -2.5 -9.6 223 228 A H E -dg 115 267A 0 -109,-3.2 -107,-2.8 -2,-0.4 2,-0.6 -0.959 8.4-163.5-111.2 121.3 32.9 -2.9 -6.2 224 229 A L E -dg 116 268A 0 43,-3.2 45,-2.4 -2,-0.5 2,-0.8 -0.921 5.4-170.9-109.3 113.5 34.4 -5.6 -4.1 225 230 A S E -dg 117 269A 0 -109,-2.6 -107,-1.9 -2,-0.6 2,-0.7 -0.887 11.9-169.8-103.9 104.5 32.2 -6.7 -1.2 226 231 A F E -dg 118 270A 3 43,-2.7 45,-2.9 -2,-0.8 2,-0.6 -0.854 9.2-167.7-103.5 111.9 34.4 -9.0 0.9 227 232 A D E > - g 0 271A 0 -109,-2.8 3,-2.2 -2,-0.7 4,-0.3 -0.854 19.9-141.4 -93.9 125.0 32.7 -10.9 3.7 228 233 A V G > S+ 0 0 2 43,-2.7 3,-1.0 -2,-0.6 -1,-0.1 0.693 98.0 68.8 -64.1 -15.6 35.3 -12.4 5.9 229 234 A D G 3 S+ 0 0 1 1,-0.2 14,-0.3 42,-0.2 -1,-0.3 0.502 79.7 79.6 -80.7 1.4 33.3 -15.6 6.3 230 235 A G G < S+ 0 0 0 -3,-2.2 17,-1.9 -112,-0.3 -1,-0.2 0.843 87.5 69.0 -71.0 -32.0 34.1 -16.2 2.6 231 236 A L B < S-j 247 0D 2 -3,-1.0 12,-0.3 -4,-0.3 17,-0.2 -0.473 107.5 -85.5 -82.8 158.1 37.5 -17.4 3.9 232 237 A D >> - 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