==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-MAR-09 3GMZ . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DI COSTANZO,D.W.CHRISTIANSON . 632 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24740.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 14.7 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 . 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 . 61 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 29.9 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 4 0 0 2 2 0 1 2 0 0 0 2 0 2 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 4 3 5 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 5 A S 0 0 133 0, 0.0 2,-0.8 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 128.8 -27.2 18.8 26.3 2 6 A R E -a 41 0A 41 38,-0.7 40,-1.5 298,-0.1 2,-0.4 -0.843 360.0-171.4-102.3 100.6 -26.8 15.7 28.5 3 7 A T E -a 42 0A 31 -2,-0.8 86,-2.9 84,-0.2 2,-0.3 -0.768 8.3-157.9 -92.8 131.2 -29.9 15.3 30.7 4 8 A I E -ab 43 89A 0 38,-3.2 40,-2.4 -2,-0.4 2,-0.6 -0.871 16.2-156.2-118.3 146.5 -29.8 12.6 33.3 5 9 A G E -ab 44 90A 0 84,-2.7 86,-2.8 -2,-0.3 2,-0.2 -0.918 20.5-149.8-120.9 101.2 -32.4 10.6 35.2 6 10 A I E -ab 45 91A 1 38,-2.6 40,-2.6 -2,-0.6 2,-0.4 -0.524 15.5-177.6 -74.3 133.5 -30.9 9.3 38.5 7 11 A I E - b 0 92A 0 84,-2.8 86,-2.7 -2,-0.2 2,-0.4 -0.930 14.1-152.4-136.0 108.7 -32.3 6.0 39.9 8 12 A G E -ab 48 93A 0 39,-2.8 41,-2.9 -2,-0.4 86,-0.2 -0.659 11.1-174.5 -80.4 132.3 -31.1 4.6 43.2 9 13 A A - 0 0 0 84,-2.9 2,-2.1 -2,-0.4 86,-0.5 -0.618 2.8-175.1-129.2 73.7 -31.4 0.8 43.3 10 14 A P + 0 0 39 0, 0.0 2,-0.4 0, 0.0 41,-0.2 -0.459 34.9 136.9 -70.1 79.4 -30.5 -0.3 46.9 11 15 A F + 0 0 15 -2,-2.1 85,-2.0 9,-0.3 84,-0.7 -0.985 24.1 161.2-132.9 141.3 -30.7 -4.0 46.2 12 16 A S > + 0 0 27 -2,-0.4 3,-1.7 83,-0.2 -1,-0.1 0.484 47.5 100.7-134.8 -8.5 -28.4 -6.9 47.3 13 17 A K T 3 + 0 0 66 1,-0.3 123,-0.3 83,-0.1 56,-0.2 0.383 66.2 79.2 -68.5 6.5 -30.2 -10.2 47.0 14 18 A G T 3 S+ 0 0 1 121,-0.1 123,-2.9 122,-0.1 124,-0.3 0.475 108.8 20.1 -87.3 -3.2 -28.6 -11.1 43.7 15 19 A Q S < S- 0 0 6 -3,-1.7 81,-0.1 121,-0.2 491,-0.0 -0.944 85.7-104.6-153.2 171.0 -25.6 -12.1 45.8 16 20 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 490,-0.1 0.884 85.5 85.2 -70.5 -44.3 -24.6 -13.1 49.4 17 21 A R > - 0 0 62 488,-0.1 3,-0.6 489,-0.1 487,-0.2 -0.470 63.5-148.9 -73.0 122.7 -22.9 -10.0 50.8 18 22 A G T 3 S+ 0 0 11 485,-2.3 259,-0.1 -2,-0.3 -1,-0.0 -0.446 72.1 65.5 -82.3 160.0 -25.0 -7.2 52.3 19 23 A G T > S+ 0 0 2 -2,-0.1 3,-1.6 258,-0.1 -1,-0.2 -0.007 73.5 92.0 117.7 -29.9 -23.8 -3.7 52.2 20 24 A V G X S+ 0 0 0 -3,-0.6 3,-1.6 1,-0.3 -9,-0.3 0.698 74.7 70.2 -69.5 -18.8 -24.0 -3.3 48.4 21 25 A E G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -11,-0.2 4,-0.2 0.596 89.6 64.8 -74.0 -5.9 -27.5 -2.0 48.9 22 26 A E G <> S+ 0 0 80 -3,-1.6 4,-2.2 1,-0.2 -1,-0.3 0.436 72.1 100.1 -91.8 -4.0 -25.8 1.1 50.4 23 27 A G H <> S+ 0 0 0 -3,-1.6 4,-2.3 251,-0.3 5,-0.3 0.906 79.8 49.2 -49.4 -51.7 -24.2 1.9 47.0 24 28 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.893 111.5 51.6 -57.8 -39.3 -26.7 4.7 46.2 25 29 A T H > S+ 0 0 69 -4,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.919 112.0 42.8 -64.3 -48.3 -26.3 6.3 49.6 26 30 A V H X S+ 0 0 13 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.893 115.1 49.7 -68.4 -39.3 -22.5 6.5 49.5 27 31 A L H <>S+ 0 0 0 -4,-2.3 5,-1.4 -5,-0.3 3,-0.3 0.944 114.0 44.9 -64.5 -47.8 -22.3 7.7 45.9 28 32 A R H ><5S+ 0 0 44 -4,-2.2 3,-2.5 -5,-0.3 5,-0.3 0.941 111.0 53.8 -59.7 -48.1 -24.9 10.4 46.5 29 33 A K H 3<5S+ 0 0 159 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 98.1 65.8 -57.3 -27.5 -23.1 11.4 49.8 30 34 A A T 3<5S- 0 0 25 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.454 123.6-105.2 -75.5 0.5 -20.0 11.7 47.7 31 35 A G T <>5 + 0 0 10 -3,-2.5 4,-3.2 -5,-0.1 5,-0.3 0.729 67.6 152.7 83.3 24.3 -21.7 14.6 45.9 32 36 A L H > S+ 0 0 25 -5,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.931 114.7 49.4 -69.7 -45.4 -25.4 15.0 41.8 34 38 A E H > S+ 0 0 101 -6,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.941 113.2 45.9 -58.7 -49.8 -23.7 18.2 42.8 35 39 A K H < S+ 0 0 75 -4,-3.2 4,-0.4 2,-0.2 -1,-0.2 0.848 111.1 53.1 -63.5 -35.0 -20.6 17.4 40.7 36 40 A L H ><>S+ 0 0 0 -4,-1.7 3,-1.3 -5,-0.3 5,-1.0 0.924 110.9 46.4 -65.3 -43.6 -22.8 16.3 37.7 37 41 A K H 3<5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.808 100.9 67.7 -66.6 -29.1 -24.6 19.6 37.9 38 42 A E T 3<5S+ 0 0 146 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.669 103.9 54.9 -63.6 -16.2 -21.2 21.3 38.2 39 43 A Q T < 5S- 0 0 38 -3,-1.3 262,-0.1 -4,-0.4 -3,-0.1 -0.118 122.8 -69.7 -98.1-160.2 -20.8 20.1 34.6 40 44 A E T 5S+ 0 0 96 260,-0.3 -38,-0.7 -2,-0.1 2,-0.3 -0.006 90.1 138.5 -83.7 31.3 -23.0 20.7 31.6 41 45 A C E < -a 2 0A 18 -5,-1.0 2,-0.8 -40,-0.1 -38,-0.2 -0.657 50.5-159.0 -99.5 139.4 -25.6 18.5 33.2 42 46 A D E -a 3 0A 81 -40,-1.5 -38,-3.2 -2,-0.3 2,-0.5 -0.910 31.3-167.0-102.2 102.1 -29.4 18.7 33.5 43 47 A V E -a 4 0A 24 -2,-0.8 2,-0.5 -40,-0.2 -38,-0.2 -0.851 18.0-179.9-106.7 125.7 -30.0 16.3 36.5 44 48 A K E -a 5 0A 86 -40,-2.4 -38,-2.6 -2,-0.5 2,-0.6 -0.979 17.6-148.3-120.2 122.6 -33.3 14.9 37.7 45 49 A D E -a 6 0A 65 -2,-0.5 -38,-0.1 -40,-0.2 3,-0.1 -0.813 13.7-175.5 -94.5 119.1 -33.3 12.6 40.7 46 50 A Y E - 0 0 38 -40,-2.6 -39,-0.1 -2,-0.6 -1,-0.1 0.366 42.9-130.4 -91.6 5.0 -36.0 9.9 40.6 47 51 A G E - 0 0 26 -41,-0.1 -39,-2.8 2,-0.1 2,-0.5 -0.177 36.4 -44.1 79.4-173.1 -35.0 8.8 44.1 48 52 A D E -a 8 0A 76 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.831 58.1-119.5 -97.4 130.7 -34.3 5.4 45.5 49 53 A L - 0 0 19 -41,-2.9 2,-1.1 -2,-0.5 -2,-0.1 -0.527 22.4-130.2 -70.3 130.5 -36.6 2.6 44.5 50 54 A P - 0 0 110 0, 0.0 2,-1.5 0, 0.0 -1,-0.1 -0.724 19.7-160.3 -85.8 99.5 -38.3 1.0 47.6 51 55 A F - 0 0 38 -2,-1.1 3,-0.1 -41,-0.2 21,-0.1 -0.636 16.8-140.8 -83.5 87.3 -37.7 -2.7 47.1 52 56 A A - 0 0 78 -2,-1.5 2,-0.3 1,-0.1 20,-0.1 0.014 25.8 -96.7 -44.6 152.4 -40.4 -4.1 49.4 53 57 A D - 0 0 123 1,-0.1 -1,-0.1 2,-0.0 15,-0.0 -0.562 27.4-162.7 -80.6 136.0 -39.4 -7.2 51.4 54 58 A I + 0 0 43 -2,-0.3 14,-0.2 1,-0.1 13,-0.1 -0.789 12.3 176.1-120.3 83.9 -40.3 -10.7 50.1 55 59 A P + 0 0 59 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.814 69.2 64.2 -56.0 -39.8 -39.9 -12.9 53.2 56 60 A N + 0 0 104 1,-0.1 11,-0.0 2,-0.0 462,-0.0 -0.776 64.3 125.6 -94.1 98.9 -41.1 -16.1 51.5 57 61 A D + 0 0 19 -2,-1.1 8,-0.5 10,-0.1 -1,-0.1 -0.403 30.8 177.8-154.8 67.9 -38.5 -16.7 48.8 58 62 A S - 0 0 26 1,-0.1 9,-0.2 7,-0.1 5,-0.0 -0.326 43.3 -83.3 -70.4 156.9 -36.9 -20.2 49.0 59 63 A P - 0 0 47 0, 0.0 2,-0.8 0, 0.0 5,-0.2 -0.198 29.1-132.4 -61.3 151.9 -34.4 -21.2 46.3 60 64 A F B > S-H 63 0B 48 3,-2.4 3,-2.5 -3,-0.1 2,-0.5 -0.947 80.0 -47.7-104.0 107.3 -35.5 -22.4 42.9 61 65 A Q T 3 S- 0 0 111 -2,-0.8 68,-0.1 1,-0.3 0, 0.0 -0.520 125.2 -28.6 60.3-113.5 -33.2 -25.5 42.6 62 66 A I T 3 S+ 0 0 63 -2,-0.5 2,-0.4 66,-0.3 -1,-0.3 0.510 111.3 114.5-107.4 -7.1 -30.0 -23.7 43.7 63 67 A V B < -H 60 0B 0 -3,-2.5 -3,-2.4 65,-0.1 2,-0.3 -0.514 61.7-139.4 -66.5 119.9 -30.9 -20.2 42.4 64 68 A K - 0 0 50 70,-2.4 72,-0.4 -2,-0.4 5,-0.1 -0.616 65.7 -5.1 -92.3 144.1 -31.2 -18.0 45.5 65 69 A N S > S+ 0 0 43 -8,-0.5 4,-2.7 -2,-0.3 5,-0.3 0.832 72.8 164.3 48.7 43.5 -33.7 -15.2 46.3 66 70 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.875 70.5 45.9 -56.5 -43.6 -35.4 -15.6 42.8 67 71 A R H > S+ 0 0 86 -9,-0.2 4,-2.2 2,-0.2 5,-0.2 0.865 114.4 48.0 -69.7 -36.4 -38.6 -13.7 43.7 68 72 A S H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.955 116.8 42.8 -67.3 -50.0 -36.8 -10.8 45.4 69 73 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 -56,-0.2 5,-0.2 0.935 115.4 50.0 -60.3 -48.5 -34.3 -10.5 42.5 70 74 A G H X S+ 0 0 0 -4,-2.9 4,-1.8 86,-0.3 -1,-0.2 0.883 112.6 46.1 -58.9 -43.0 -37.1 -10.9 40.0 71 75 A K H X S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.903 109.4 53.5 -68.1 -44.3 -39.3 -8.2 41.6 72 76 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.899 112.5 45.0 -58.9 -41.7 -36.5 -5.7 42.1 73 77 A S H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.866 110.5 53.6 -69.9 -38.2 -35.6 -5.9 38.4 74 78 A E H X S+ 0 0 74 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.916 112.6 44.9 -62.2 -42.1 -39.3 -5.7 37.3 75 79 A Q H X S+ 0 0 46 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.948 114.6 47.5 -66.2 -50.1 -39.7 -2.5 39.4 76 80 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.879 106.7 57.9 -59.4 -40.0 -36.4 -1.1 38.1 77 81 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.916 107.7 47.8 -56.7 -43.7 -37.4 -1.9 34.5 78 82 A G H X S+ 0 0 32 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.915 112.2 48.1 -64.2 -43.4 -40.5 0.2 34.9 79 83 A K H X S+ 0 0 46 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.898 111.2 50.2 -64.2 -43.1 -38.6 3.1 36.4 80 84 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.876 108.2 52.3 -63.1 -40.8 -36.0 3.1 33.7 81 85 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.872 109.0 52.4 -63.8 -35.9 -38.6 3.0 30.9 82 86 A E H X S+ 0 0 82 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.895 109.5 47.5 -65.5 -43.7 -40.2 6.1 32.6 83 87 A V H ><>S+ 0 0 0 -4,-1.9 5,-1.4 2,-0.2 3,-0.7 0.907 112.2 49.7 -65.8 -42.0 -36.9 8.0 32.6 84 88 A K H ><5S+ 0 0 16 -4,-2.4 3,-2.6 1,-0.3 -2,-0.2 0.931 106.2 55.7 -63.0 -43.9 -36.2 7.2 29.0 85 89 A K H 3<5S+ 0 0 155 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.705 102.6 58.4 -60.6 -19.7 -39.7 8.3 28.0 86 90 A N T <<5S- 0 0 69 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.311 121.7-110.3 -91.4 7.2 -38.8 11.6 29.6 87 91 A G T < 5S+ 0 0 58 -3,-2.6 2,-0.3 1,-0.2 -84,-0.2 0.882 75.1 128.0 67.7 41.0 -35.9 11.9 27.3 88 92 A R < - 0 0 50 -5,-1.4 2,-0.6 -4,-0.1 -84,-0.2 -0.945 66.7-110.0-130.0 150.0 -33.1 11.4 29.9 89 93 A I E -b 4 0A 8 -86,-2.9 -84,-2.7 -2,-0.3 2,-0.2 -0.678 41.1-128.9 -76.0 116.1 -30.1 9.1 30.1 90 94 A S E -bc 5 268A 0 177,-1.3 179,-2.9 -2,-0.6 2,-0.5 -0.507 22.6-166.8 -70.5 132.1 -31.0 6.7 32.9 91 95 A L E -bc 6 269A 0 -86,-2.8 -84,-2.8 -2,-0.2 2,-0.6 -0.916 3.9-164.7-123.7 102.3 -28.3 6.4 35.6 92 96 A V E -bc 7 270A 0 177,-3.0 179,-2.5 -2,-0.5 2,-0.7 -0.778 5.2-157.7 -93.7 121.0 -28.9 3.4 37.9 93 97 A L E -bc 8 271A 0 -86,-2.7 -84,-2.9 -2,-0.6 179,-0.2 -0.862 36.6-114.8 -97.7 110.9 -26.9 3.4 41.1 94 98 A G + 0 0 0 177,-2.8 2,-0.2 -2,-0.7 180,-0.1 -0.325 47.1 172.1 -87.7 175.9 -26.6 -0.2 42.4 95 99 A G S S- 0 0 0 -84,-0.7 178,-2.3 -86,-0.5 179,-0.3 0.487 78.3 -27.1 88.8 146.8 -27.0 -2.4 44.1 96 100 A D > - 0 0 0 -85,-2.0 3,-1.5 176,-0.2 -1,-0.1 -0.359 67.4-104.1 -77.4 162.9 -25.7 -5.8 42.8 97 101 A H G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.510 105.0 85.9 -66.4 -7.9 -25.5 -6.5 39.1 98 102 A S G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.817 77.7 74.1 -61.8 -24.6 -28.7 -8.8 38.9 99 103 A L G <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.3 3,-0.4 0.628 72.3 82.4 -60.9 -17.3 -30.4 -5.4 38.5 100 104 A A H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 5,-0.4 0.798 81.5 64.4 -60.1 -28.5 -29.1 -5.3 34.9 101 105 A I H <> S+ 0 0 0 -3,-1.9 4,-1.4 -4,-0.2 -1,-0.2 0.953 110.4 36.0 -60.5 -47.1 -32.0 -7.5 34.0 102 106 A G H > S+ 0 0 0 -4,-0.4 4,-3.0 -3,-0.4 5,-0.3 0.937 117.8 51.0 -71.3 -46.5 -34.4 -4.7 34.9 103 107 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.922 116.4 38.7 -57.3 -51.8 -32.3 -1.8 33.7 104 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.832 116.1 53.9 -71.7 -31.2 -31.6 -3.2 30.2 105 109 A S H X S+ 0 0 9 -4,-1.4 4,-1.1 -5,-0.4 -2,-0.2 0.962 111.8 42.8 -66.6 -50.9 -35.1 -4.6 29.9 106 110 A G H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 3,-0.2 0.853 113.5 53.0 -63.0 -35.8 -36.8 -1.2 30.7 107 111 A H H >X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 3,-0.5 0.918 107.0 52.0 -65.3 -43.8 -34.3 0.6 28.4 108 112 A A H 3< S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.713 97.0 67.2 -66.6 -23.7 -35.1 -1.7 25.5 109 113 A R H 3< S+ 0 0 132 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.921 115.6 28.5 -63.1 -41.1 -38.8 -1.1 25.9 110 114 A V H << S+ 0 0 44 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.841 137.4 28.4 -86.4 -37.6 -38.2 2.5 24.8 111 115 A H >< + 0 0 56 -4,-2.8 3,-1.6 -5,-0.1 -1,-0.2 -0.676 63.1 170.5-127.8 78.8 -35.1 1.8 22.6 112 116 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.705 75.9 63.7 -59.9 -22.0 -35.2 -1.7 21.2 113 117 A D T 3 S+ 0 0 83 52,-0.1 -5,-0.1 2,-0.0 52,-0.0 0.282 77.7 137.1 -87.9 11.7 -32.2 -1.0 18.9 114 118 A L < - 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0 0 1 12,-2.0 16,-0.4 4,-0.1 56,-0.0 -0.395 50.1-136.4 -67.5 150.1 -24.6 -18.1 33.7 127 131 A T >> - 0 0 7 15,-0.1 4,-2.2 14,-0.1 3,-0.7 -0.582 32.2 -98.4 -99.2 168.7 -28.1 -19.6 33.3 128 132 A P T 34 S+ 0 0 1 0, 0.0 -66,-0.3 0, 0.0 -65,-0.1 0.720 128.3 46.0 -60.1 -15.8 -30.1 -20.9 36.2 129 133 A L T 34 S+ 0 0 103 22,-0.3 23,-0.1 1,-0.1 -3,-0.0 0.633 113.1 44.3-100.6 -19.1 -28.8 -24.3 35.1 130 134 A T T <4 S+ 0 0 51 -3,-0.7 51,-0.2 51,-0.0 52,-0.1 0.669 88.7 104.4 -97.8 -19.4 -25.1 -23.6 34.5 131 135 A T < - 0 0 10 -4,-2.2 -69,-0.1 1,-0.1 5,-0.0 -0.294 43.2-177.0 -62.0 143.9 -24.6 -21.5 37.7 132 136 A T S S+ 0 0 94 3,-0.1 -1,-0.1 -70,-0.0 402,-0.1 0.594 84.5 48.4-111.1 -24.0 -22.7 -23.2 40.5 133 137 A S S S- 0 0 25 2,-0.1 3,-0.1 5,-0.1 -2,-0.1 0.776 91.0-142.7 -86.0 -31.0 -23.1 -20.4 43.0 134 138 A G + 0 0 0 1,-0.3 -70,-2.4 -71,-0.1 2,-0.5 0.420 53.1 140.0 80.5 -3.1 -26.8 -19.8 42.6 135 139 A N > - 0 0 15 498,-0.4 3,-1.8 -72,-0.2 -1,-0.3 -0.647 49.1-147.5 -78.5 120.2 -26.2 -16.1 42.9 136 140 A L G > S+ 0 0 0 -2,-0.5 3,-1.6 -72,-0.4 -121,-0.2 0.627 90.4 74.0 -64.7 -14.7 -28.3 -14.2 40.4 137 141 A H G 3 S+ 0 0 1 -123,-2.9 -1,-0.3 1,-0.3 -122,-0.1 0.576 95.2 56.7 -75.1 -3.4 -25.8 -11.3 39.9 138 142 A G G < S+ 0 0 0 -3,-1.8 -12,-2.0 -124,-0.3 -1,-0.3 0.203 109.0 45.2-107.2 14.5 -23.9 -14.0 37.9 139 143 A Q X> + 0 0 0 -3,-1.6 4,-1.1 -14,-0.2 3,-0.9 0.416 69.6 109.8-135.3 -3.5 -26.8 -14.7 35.5 140 144 A P H >> S+ 0 0 0 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.878 80.5 52.2 -45.4 -48.9 -28.4 -11.4 34.4 141 145 A V H >> S+ 0 0 1 -17,-1.9 4,-1.6 1,-0.2 3,-0.7 0.833 100.9 60.9 -60.4 -33.9 -27.2 -11.6 30.8 142 146 A S H <4 S+ 0 0 1 -3,-0.9 -1,-0.2 -18,-0.5 6,-0.1 0.854 103.3 51.7 -62.5 -33.5 -28.6 -15.1 30.2 143 147 A F H << S+ 0 0 8 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.711 111.4 48.7 -73.7 -21.7 -32.1 -13.8 30.9 144 148 A L H << S+ 0 0 1 -4,-0.8 21,-2.2 -3,-0.7 20,-0.8 0.711 86.7 95.2 -92.6 -23.5 -31.6 -11.0 28.4 145 149 A L B >< -i 165 0C 1 -4,-1.6 3,-0.7 18,-0.2 21,-0.2 -0.574 59.8-153.1 -78.0 126.8 -30.3 -12.9 25.3 146 150 A K G > S+ 0 0 101 19,-2.7 3,-1.4 -2,-0.4 -1,-0.1 0.839 96.0 58.3 -62.6 -35.4 -32.9 -14.0 22.8 147 151 A E G 3 S+ 0 0 68 18,-0.3 -1,-0.2 1,-0.3 19,-0.1 0.749 98.3 59.2 -67.7 -25.3 -30.7 -16.9 21.7 148 152 A L G X> S+ 0 0 13 -3,-0.7 3,-1.8 -6,-0.1 4,-0.6 0.339 75.6 121.4 -86.7 7.2 -30.7 -18.3 25.2 149 153 A K T <4 S+ 0 0 155 -3,-1.4 -6,-0.0 1,-0.3 -3,-0.0 -0.587 71.8 35.3 -72.3 125.7 -34.5 -18.6 25.2 150 154 A G T 34 S+ 0 0 78 -2,-0.4 -1,-0.3 2,-0.3 -2,-0.1 0.067 108.9 67.5 115.6 -20.6 -35.3 -22.3 25.7 151 155 A K T <4 S+ 0 0 141 -3,-1.8 -22,-0.3 -9,-0.1 -2,-0.2 0.482 81.8 84.6-104.1 -10.6 -32.4 -22.7 28.1 152 156 A I S < S- 0 0 41 -4,-0.6 -2,-0.3 -25,-0.1 -1,-0.1 -0.849 73.1-147.8 -98.2 109.6 -33.9 -20.5 30.8 153 157 A P - 0 0 34 0, 0.0 2,-1.6 0, 0.0 -2,-0.1 -0.181 37.1 -83.7 -68.7 166.9 -36.3 -22.4 33.0 154 158 A D - 0 0 153 3,-0.0 5,-0.1 5,-0.0 3,-0.0 -0.577 55.0-171.8 -76.9 90.9 -39.4 -20.7 34.5 155 159 A V > - 0 0 7 -2,-1.6 3,-1.9 3,-0.1 4,-0.1 -0.691 31.9-103.2 -85.0 131.3 -37.8 -19.2 37.6 156 160 A P T 3 S+ 0 0 41 0, 0.0 -86,-0.3 0, 0.0 -1,-0.1 -0.321 106.0 26.0 -56.4 129.8 -40.2 -17.7 40.1 157 161 A G T 3 S+ 0 0 30 -87,-0.1 -83,-0.2 -88,-0.1 3,-0.2 0.285 106.5 76.8 101.2 -9.3 -40.2 -13.9 39.8 158 162 A F X + 0 0 13 -3,-1.9 3,-1.4 1,-0.1 -3,-0.1 0.150 49.4 109.9-120.5 20.4 -39.1 -13.6 36.2 159 163 A S T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -4,-0.1 -5,-0.0 0.772 77.6 62.2 -65.9 -21.5 -42.3 -14.5 34.2 160 164 A W T 3 S+ 0 0 43 -3,-0.2 -1,-0.3 -90,-0.0 2,-0.1 0.634 83.5 106.8 -76.3 -16.5 -42.4 -10.8 33.2 161 165 A V < + 0 0 23 -3,-1.4 -3,-0.1 1,-0.0 -17,-0.0 -0.407 42.7 178.9 -71.4 140.1 -39.0 -11.1 31.4 162 166 A T - 0 0 104 -2,-0.1 -16,-0.1 -13,-0.0 -19,-0.0 -0.916 37.5-113.2-140.4 108.3 -38.7 -11.1 27.6 163 167 A P + 0 0 38 0, 0.0 -18,-0.2 0, 0.0 -19,-0.2 -0.127 36.6 178.3 -43.9 128.9 -35.2 -11.4 26.2 164 168 A C + 0 0 28 -20,-0.8 2,-0.3 1,-0.0 -19,-0.2 0.448 51.1 61.6-118.1 -3.6 -34.5 -8.1 24.4 165 169 A I B -i 145 0C 3 -21,-2.2 -19,-2.7 -52,-0.0 -18,-0.3 -0.945 64.6-138.9-129.3 150.5 -30.9 -8.4 23.1 166 170 A S > - 0 0 20 -2,-0.3 3,-2.2 -21,-0.2 4,-0.1 -0.649 34.8-105.4-100.0 159.8 -29.2 -10.7 20.6 167 171 A A G > S+ 0 0 3 1,-0.3 3,-0.8 -2,-0.2 25,-0.5 0.822 120.4 57.7 -52.3 -33.8 -25.7 -12.1 21.0 168 172 A K G 3 S+ 0 0 126 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.516 93.6 66.5 -78.4 -6.3 -24.5 -9.6 18.4 169 173 A D G < S+ 0 0 31 -3,-2.2 -53,-3.3 -54,-0.1 2,-0.4 0.157 92.0 69.2-102.5 19.1 -25.6 -6.5 20.3 170 174 A I E < -e 116 0A 0 -3,-0.8 22,-0.7 -55,-0.2 2,-0.4 -0.998 54.0-167.6-141.0 141.6 -23.3 -6.7 23.3 171 175 A V E -ef 117 192A 0 -55,-2.5 -53,-3.3 -2,-0.4 2,-0.3 -0.996 12.6-149.0-128.4 132.8 -19.5 -6.3 23.9 172 176 A Y E -ef 118 193A 0 20,-1.6 22,-1.9 -2,-0.4 2,-0.4 -0.767 13.1-174.6 -98.7 144.9 -17.7 -7.4 27.0 173 177 A I E +ef 119 194A 0 -55,-2.3 -53,-2.1 -2,-0.3 22,-0.2 -0.978 62.7 22.6-142.6 126.2 -14.6 -5.6 28.3 174 178 A G S S+ 0 0 0 20,-2.2 21,-0.2 -2,-0.4 22,-0.2 0.381 70.2 166.7 105.5 -1.7 -12.4 -6.6 31.2 175 179 A L + 0 0 4 19,-0.4 21,-2.9 1,-0.1 22,-0.3 -0.126 15.6 138.9 -52.8 135.4 -13.0 -10.3 31.5 176 180 A R + 0 0 52 -55,-2.5 2,-0.2 19,-0.2 -54,-0.2 0.334 66.7 49.7-155.8 -3.1 -10.7 -12.3 33.7 177 181 A D + 0 0 74 -56,-2.0 2,-0.4 67,-0.1 -54,-0.3 -0.663 66.2 160.4-144.2 83.4 -12.8 -14.8 35.7 178 182 A V - 0 0 45 -2,-0.2 -56,-0.1 -56,-0.2 5,-0.0 -0.911 35.0-127.4-110.9 129.6 -15.2 -16.6 33.4 179 183 A D > - 0 0 31 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.341 26.5-111.2 -70.6 155.2 -16.9 -19.9 34.4 180 184 A P H > S+ 0 0 111 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.898 118.9 46.2 -52.9 -49.6 -16.7 -23.0 32.0 181 185 A G H > S+ 0 0 26 -51,-0.2 4,-2.1 1,-0.2 5,-0.2 0.899 112.5 52.7 -62.2 -39.3 -20.3 -23.0 31.0 182 186 A E H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.2 49.3 -62.1 -44.0 -20.1 -19.2 30.5 183 187 A H H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.904 108.1 54.9 -63.0 -40.4 -17.1 -19.6 28.2 184 188 A Y H X S+ 0 0 155 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.934 108.9 47.6 -56.0 -49.1 -19.0 -22.3 26.2 185 189 A I H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 6,-0.3 0.885 109.1 55.0 -60.4 -41.3 -21.8 -19.8 25.7 186 190 A L H X>S+ 0 0 3 -4,-2.2 5,-1.9 1,-0.2 4,-0.7 0.951 115.0 37.5 -57.1 -52.6 -19.4 -17.1 24.6 187 191 A K H <5S+ 0 0 123 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.807 117.3 51.9 -70.2 -33.1 -17.8 -19.2 21.9 188 192 A T H <5S+ 0 0 76 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.868 115.5 38.3 -74.9 -37.1 -21.1 -20.9 20.9 189 193 A L H <5S- 0 0 46 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.546 107.5-122.7 -90.2 -7.1 -23.1 -17.7 20.4 190 194 A G T <5 - 0 0 53 -4,-0.7 -3,-0.2 -5,-0.3 2,-0.1 0.843 42.2-176.4 70.0 33.6 -20.1 -15.8 18.9 191 195 A I < - 0 0 7 -5,-1.9 2,-0.4 -6,-0.3 -1,-0.2 -0.407 25.6-121.5 -67.9 136.5 -20.3 -13.1 21.5 192 196 A K E +f 171 0A 66 -22,-0.7 -20,-1.6 -25,-0.5 2,-0.3 -0.653 44.0 162.2 -80.5 127.5 -17.8 -10.2 21.0 193 197 A Y E -f 172 0A 54 -2,-0.4 2,-0.5 -22,-0.2 -20,-0.2 -0.995 36.6-155.7-149.0 152.1 -15.4 -9.8 24.0 194 198 A F E -f 173 0A 3 -22,-1.9 -20,-2.2 -2,-0.3 -19,-0.4 -0.864 25.4-170.3-127.6 90.7 -12.2 -8.2 25.0 195 199 A S >> - 0 0 21 -2,-0.5 4,-1.9 -21,-0.2 3,-0.6 -0.138 47.4 -88.3 -70.3 178.2 -10.9 -10.1 28.0 196 200 A M H 3> S+ 0 0 18 -21,-2.9 4,-2.2 1,-0.2 5,-0.2 0.816 130.7 62.0 -60.6 -26.6 -7.9 -8.7 29.9 197 201 A T H 3> S+ 0 0 81 -22,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.903 105.0 44.9 -64.5 -42.4 -5.8 -10.7 27.4 198 202 A E H <> S+ 0 0 36 -3,-0.6 4,-3.1 2,-0.2 5,-0.5 0.844 111.2 53.1 -70.2 -36.0 -7.1 -8.7 24.4 199 203 A V H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.903 111.4 46.8 -66.2 -39.6 -6.7 -5.4 26.3 200 204 A D H < S+ 0 0 135 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 117.0 44.3 -65.7 -44.5 -3.0 -6.3 27.0 201 205 A R H < S+ 0 0 158 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.939 128.8 22.0 -64.9 -52.0 -2.5 -7.3 23.4 202 206 A L H < S- 0 0 67 -4,-3.1 4,-0.5 -5,-0.1 -3,-0.2 0.761 101.7-121.6 -92.5 -28.4 -4.3 -4.4 21.6 203 207 A G X - 0 0 29 -4,-2.0 4,-2.0 -5,-0.5 3,-0.2 0.092 32.4 -86.5 93.7 147.5 -4.2 -1.6 24.2 204 208 A I H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.760 124.1 63.6 -60.8 -26.9 -7.4 0.1 25.5 205 209 A G H > S+ 0 0 32 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.970 108.7 36.9 -62.8 -54.2 -7.3 2.5 22.5 206 210 A K H > S+ 0 0 77 -4,-0.5 4,-2.9 -3,-0.2 5,-0.3 0.864 112.4 61.2 -66.7 -35.2 -7.8 -0.1 19.8 207 211 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.927 108.8 42.1 -56.3 -46.3 -10.2 -2.0 22.1 208 212 A M H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.861 111.7 54.3 -70.9 -36.2 -12.6 0.9 22.2 209 213 A E H X S+ 0 0 116 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.960 114.2 42.0 -61.3 -48.0 -12.2 1.6 18.5 210 214 A E H X S+ 0 0 50 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.862 112.7 53.9 -65.9 -38.6 -13.2 -2.0 17.8 211 215 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.942 114.6 38.7 -62.2 -48.9 -16.0 -2.0 20.4 212 216 A L H X S+ 0 0 24 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.859 116.3 51.8 -70.7 -36.7 -17.7 1.1 19.0 213 217 A S H X S+ 0 0 78 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.886 109.6 51.5 -66.5 -38.6 -17.1 0.1 15.4 214 218 A Y H < S+ 0 0 87 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.896 121.1 31.4 -64.5 -43.5 -18.6 -3.3 16.2 215 219 A L H < S+ 0 0 1 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.780 132.5 30.7 -87.6 -30.0 -21.8 -1.9 17.7 216 220 A L H < S+ 0 0 6 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.436 92.2 95.3-109.5 -1.3 -22.1 1.3 15.7 217 221 A G S < S+ 0 0 52 -4,-1.6 -3,-0.1 -5,-0.3 3,-0.1 0.940 90.5 38.5 -54.8 -57.1 -20.6 0.3 12.4 218 222 A R S S- 0 0 216 -4,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.900 137.0 -30.8 -62.8 -41.0 -23.7 -0.7 10.5 219 223 A K - 0 0 97 -4,-0.2 -1,-0.3 2,-0.0 2,-0.2 -0.975 67.9 -88.5-171.2 161.5 -25.6 2.2 12.1 220 224 A K + 0 0 143 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.536 49.4 154.7 -81.0 146.2 -25.9 4.5 15.1 221 225 A R - 0 0 12 -2,-0.2 -107,-0.1 -106,-0.0 -106,-0.1 -0.970 48.6 -66.8-163.2 159.7 -28.2 3.5 18.0 222 226 A P - 0 0 22 0, 0.0 -107,-2.5 0, 0.0 2,-0.4 -0.206 47.5-140.5 -54.8 140.9 -28.5 4.0 21.8 223 227 A I E -dg 115 266A 1 42,-2.8 44,-3.1 -109,-0.2 45,-1.9 -0.877 9.3-160.2-108.4 138.1 -25.7 2.6 23.9 224 228 A H E -dg 116 268A 0 -109,-2.9 -107,-2.7 -2,-0.4 2,-0.7 -0.977 7.3-163.0-116.3 117.5 -26.3 1.0 27.3 225 229 A L E -dg 117 269A 0 43,-3.0 45,-2.6 -2,-0.5 2,-0.9 -0.898 4.9-171.0-105.4 112.1 -23.2 0.8 29.5 226 230 A S E -dg 118 270A 0 -109,-2.4 -107,-1.6 -2,-0.7 2,-0.7 -0.875 12.5-169.4-102.5 102.8 -23.4 -1.6 32.4 227 231 A F E -dg 119 271A 2 43,-2.4 45,-2.8 -2,-0.9 2,-0.6 -0.840 11.1-167.0-103.4 110.4 -20.4 -0.9 34.5 228 232 A D E > - g 0 272A 0 -109,-2.8 3,-2.1 -2,-0.7 4,-0.3 -0.830 20.3-140.9 -90.7 123.4 -19.5 -3.4 37.3 229 233 A V G > S+ 0 0 3 43,-2.7 3,-1.2 -2,-0.6 -1,-0.1 0.722 97.7 69.3 -60.9 -20.2 -16.9 -1.7 39.5 230 234 A D G 3 S+ 0 0 1 1,-0.3 14,-0.4 42,-0.2 -1,-0.3 0.422 78.4 81.3 -79.0 6.4 -15.0 -5.0 39.9 231 235 A G G < S+ 0 0 0 -3,-2.1 17,-2.0 -112,-0.3 -1,-0.3 0.832 86.0 69.1 -73.9 -32.3 -14.1 -4.6 36.2 232 236 A L B < S-j 248 0D 2 -3,-1.2 12,-0.3 -4,-0.3 17,-0.2 -0.518 108.3 -84.6 -83.2 154.8 -11.4 -2.2 37.5 233 237 A D >> - 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