==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 25-MAY-12 4FCI . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.D'ANTONIO,D.W.CHRISTIANSON . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 93 14.9 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 . 59 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 186 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 2 3 0 1 1 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 1 5 5 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 . 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 93 0, 0.0 2,-0.8 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 149.4 47.7 5.9 -7.6 2 6 A R - 0 0 68 298,-0.1 40,-1.2 86,-0.1 2,-0.5 -0.501 360.0-171.1 -69.9 106.4 45.1 4.3 -5.3 3 7 A T E -a 42 0A 26 -2,-0.8 86,-3.6 38,-0.2 2,-0.3 -0.867 12.2-155.9 -98.6 125.6 43.5 7.1 -3.3 4 8 A I E -ab 43 89A 0 38,-2.9 40,-2.0 -2,-0.5 2,-0.5 -0.791 19.4-158.8-112.7 149.8 41.2 5.8 -0.6 5 9 A G E -ab 44 90A 0 84,-3.0 86,-2.9 -2,-0.3 2,-0.3 -0.946 21.3-149.4-124.8 105.8 38.2 7.0 1.4 6 10 A I E -ab 45 91A 0 38,-2.3 40,-2.6 -2,-0.5 2,-0.4 -0.596 14.8-176.7 -81.1 134.1 37.8 5.2 4.7 7 11 A I E - b 0 92A 2 84,-2.9 86,-1.5 -2,-0.3 2,-0.4 -0.920 13.7-152.3-133.7 106.5 34.2 4.7 6.1 8 12 A G E -ab 48 93A 0 39,-3.4 41,-3.4 -2,-0.4 86,-0.2 -0.647 12.4-174.9 -78.8 128.5 33.8 3.1 9.4 9 13 A A - 0 0 0 84,-3.0 2,-2.1 -2,-0.4 14,-0.1 -0.662 5.7-176.4-126.7 77.5 30.4 1.4 9.7 10 14 A P + 0 0 33 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.476 34.4 137.9 -74.2 78.3 29.8 -0.0 13.2 11 15 A F + 0 0 15 -2,-2.1 85,-1.7 9,-0.2 88,-0.1 -0.972 22.6 161.4-128.2 143.2 26.4 -1.7 12.5 12 16 A S > + 0 0 17 -2,-0.4 3,-1.8 83,-0.2 -1,-0.1 0.491 46.8 101.0-135.4 -10.6 25.1 -5.1 13.6 13 17 A K T 3 + 0 0 71 1,-0.3 123,-0.3 83,-0.1 56,-0.2 0.315 67.1 80.5 -68.5 13.0 21.3 -5.2 13.3 14 18 A G T 3 S+ 0 0 1 1,-0.1 123,-2.8 121,-0.1 124,-0.3 0.462 106.7 19.0 -92.1 -5.9 21.5 -7.1 10.0 15 19 A Q S < S- 0 0 6 -3,-1.8 -1,-0.1 121,-0.2 81,-0.1 -0.972 86.8-104.1-155.7 161.2 22.0 -10.3 12.1 16 20 A P S S+ 0 0 43 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.814 90.7 81.3 -61.0 -38.8 21.5 -11.5 15.7 17 21 A R - 0 0 59 1,-0.1 3,-0.4 486,-0.1 485,-0.2 -0.533 62.0-158.3 -76.9 135.4 25.1 -11.4 17.1 18 22 A G > + 0 0 9 483,-1.6 3,-1.7 -2,-0.3 484,-0.2 0.736 69.2 81.9 -90.0 -24.2 26.3 -8.0 18.3 19 23 A G G > S+ 0 0 9 483,-0.3 3,-1.9 1,-0.3 -1,-0.2 0.633 73.0 83.8 -58.2 -13.8 30.1 -7.9 18.4 20 24 A V G > S+ 0 0 0 -3,-0.4 3,-1.8 1,-0.3 -1,-0.3 0.748 75.1 71.3 -62.4 -22.9 30.3 -7.2 14.6 21 25 A E G < S+ 0 0 77 -3,-1.7 -1,-0.3 1,-0.3 4,-0.2 0.517 89.0 65.3 -71.4 -2.1 29.8 -3.5 15.3 22 26 A E G <> S+ 0 0 87 -3,-1.9 4,-2.0 252,-0.2 -1,-0.3 0.386 71.9 100.2 -98.2 0.1 33.3 -3.5 16.7 23 27 A G H <> S+ 0 0 0 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.905 79.1 48.9 -53.4 -52.3 34.8 -4.3 13.3 24 28 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.901 110.9 54.2 -56.8 -41.2 36.0 -0.7 12.5 25 29 A T H > S+ 0 0 61 -4,-0.2 4,-2.5 1,-0.2 5,-0.2 0.966 111.2 40.1 -57.1 -61.4 37.6 -0.4 15.9 26 30 A V H X S+ 0 0 9 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.828 115.4 52.7 -61.4 -33.5 39.8 -3.6 15.8 27 31 A L H <>S+ 0 0 1 -4,-2.0 5,-1.5 -5,-0.3 -1,-0.2 0.864 111.9 46.1 -70.5 -35.6 40.7 -3.0 12.1 28 32 A R H ><5S+ 0 0 47 -4,-2.0 3,-1.6 -5,-0.2 5,-0.3 0.893 111.7 49.7 -72.8 -41.9 41.8 0.6 12.9 29 33 A K H 3<5S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.627 98.2 68.5 -73.9 -10.2 43.8 -0.4 16.0 30 34 A A T 3<5S- 0 0 25 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.516 122.3-108.9 -81.7 -4.1 45.5 -3.1 13.9 31 35 A G T <>5 + 0 0 13 -3,-1.6 4,-3.1 3,-0.1 5,-0.3 0.730 66.2 153.1 85.0 25.9 47.1 -0.1 12.1 32 36 A L H > S+ 0 0 24 -5,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.922 114.8 47.6 -67.0 -44.5 45.4 3.4 8.1 34 38 A E H > S+ 0 0 102 -6,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.954 113.8 47.2 -60.2 -51.1 49.1 3.5 8.9 35 39 A K H < S+ 0 0 73 -4,-3.1 4,-0.2 2,-0.2 -1,-0.2 0.876 110.9 51.4 -59.7 -40.8 49.9 0.4 6.9 36 40 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.1 -5,-0.3 3,-0.9 0.884 113.7 45.0 -64.2 -37.5 47.9 1.7 3.9 37 41 A K H 3<5S+ 0 0 116 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.783 98.7 69.9 -75.7 -26.6 49.9 4.9 4.2 38 42 A E T 3<5S+ 0 0 150 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.589 103.8 55.1 -65.4 -7.4 53.1 2.8 4.6 39 43 A Q T < 5S- 0 0 43 -3,-0.9 262,-0.1 -4,-0.2 -3,-0.0 -0.218 121.1 -80.2-104.6-162.9 52.3 2.1 0.9 40 44 A E T 5S+ 0 0 116 260,-0.2 2,-0.4 -2,-0.1 -3,-0.1 -0.006 85.2 138.2 -92.9 31.2 51.8 4.7 -1.8 41 45 A C < - 0 0 13 -5,-1.1 2,-0.9 -40,-0.1 -38,-0.2 -0.641 50.6-148.9 -88.9 132.7 48.3 5.2 -0.6 42 46 A D E -a 3 0A 88 -40,-1.2 -38,-2.9 -2,-0.4 2,-0.5 -0.844 30.3-171.1 -93.8 104.0 46.6 8.5 -0.3 43 47 A V E +a 4 0A 15 -2,-0.9 2,-0.5 -40,-0.2 -38,-0.2 -0.884 19.7 177.6-112.0 125.5 44.2 7.9 2.6 44 48 A K E -a 5 0A 103 -40,-2.0 -38,-2.3 -2,-0.5 2,-0.7 -0.985 20.9-145.8-121.4 121.2 41.4 10.2 3.9 45 49 A D E -a 6 0A 64 -2,-0.5 -38,-0.1 -40,-0.2 3,-0.1 -0.794 12.3-171.3 -93.0 115.4 39.4 8.8 6.8 46 50 A Y E - 0 0 53 -40,-2.6 -39,-0.1 -2,-0.7 -1,-0.1 0.371 45.0-127.4 -84.1 5.5 35.8 9.9 6.7 47 51 A G E - 0 0 21 -41,-0.2 -39,-3.4 2,-0.1 2,-0.6 -0.206 35.3 -44.0 84.3-174.1 35.3 8.5 10.2 48 52 A D E -a 8 0A 73 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.886 61.4-118.1 -99.3 117.8 32.9 6.0 11.9 49 53 A L - 0 0 16 -41,-3.4 2,-1.4 -2,-0.6 -2,-0.1 -0.340 22.9-126.8 -57.4 126.2 29.3 6.6 10.8 50 54 A P - 0 0 111 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.642 29.1-150.6 -78.2 96.3 27.3 7.5 14.0 51 55 A F - 0 0 41 -2,-1.4 21,-0.1 -41,-0.2 17,-0.0 -0.616 12.1-126.4 -80.2 115.0 24.5 5.0 13.6 52 56 A A - 0 0 61 -2,-0.7 2,-0.6 1,-0.1 -1,-0.1 0.091 15.0-118.2 -50.9 161.4 21.2 6.1 15.1 53 57 A D - 0 0 129 1,-0.0 3,-0.1 3,-0.0 -1,-0.1 -0.938 22.7-171.6-109.5 117.2 19.2 4.1 17.6 54 58 A I + 0 0 38 -2,-0.6 14,-0.2 1,-0.2 13,-0.1 -0.746 8.1 174.9-111.2 82.1 15.8 3.1 16.4 55 59 A P S S+ 0 0 56 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 0.799 72.1 63.6 -55.2 -33.8 14.1 1.7 19.6 56 60 A N + 0 0 97 -3,-0.1 11,-0.0 1,-0.1 -3,-0.0 -0.824 64.5 123.5 -98.4 98.5 10.9 1.3 17.8 57 61 A D - 0 0 16 -2,-0.9 8,-0.5 10,-0.1 3,-0.1 -0.430 34.1-178.8-157.5 69.9 11.6 -1.3 15.1 58 62 A S - 0 0 25 1,-0.1 9,-0.2 7,-0.1 5,-0.0 -0.337 41.8 -81.4 -71.2 154.2 9.3 -4.3 15.2 59 63 A P - 0 0 44 0, 0.0 2,-0.7 0, 0.0 5,-0.2 -0.100 30.1-135.2 -54.9 154.0 9.7 -7.1 12.7 60 64 A F B > S-H 63 0B 42 3,-2.6 3,-2.8 74,-0.1 2,-0.5 -0.955 76.4 -52.3-110.2 103.6 8.2 -6.8 9.3 61 65 A Q T 3 S- 0 0 113 -2,-0.7 68,-0.1 1,-0.3 0, 0.0 -0.513 124.5 -24.7 61.2-114.1 6.6 -10.3 8.9 62 66 A I T 3 S+ 0 0 79 -2,-0.5 2,-0.4 66,-0.3 -1,-0.3 0.509 112.8 113.1-103.6 -7.4 9.7 -12.3 9.8 63 67 A V B < -H 60 0B 0 -3,-2.8 -3,-2.6 65,-0.1 2,-0.3 -0.539 60.8-139.4 -71.7 123.1 12.3 -9.6 8.8 64 68 A K - 0 0 56 70,-2.9 72,-0.4 -2,-0.4 5,-0.1 -0.631 67.1 -8.1 -92.5 141.2 14.2 -8.3 11.8 65 69 A N S > S+ 0 0 48 -8,-0.5 4,-2.5 -2,-0.3 5,-0.3 0.820 72.7 164.7 47.9 43.2 15.2 -4.7 12.6 66 70 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.854 70.8 47.3 -56.2 -40.6 14.1 -3.4 9.1 67 71 A R H > S+ 0 0 87 -9,-0.2 4,-1.9 2,-0.2 5,-0.2 0.882 113.3 47.9 -71.2 -37.2 14.1 0.3 10.0 68 72 A S H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 116.4 43.5 -68.1 -45.0 17.5 0.2 11.7 69 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.1 -56,-0.2 5,-0.2 0.939 113.9 50.8 -66.0 -47.2 19.0 -1.7 8.8 70 74 A G H X S+ 0 0 0 -4,-2.6 4,-1.7 86,-0.3 -1,-0.2 0.852 112.2 47.2 -58.9 -37.6 17.3 0.5 6.2 71 75 A K H X S+ 0 0 98 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.892 109.0 52.5 -72.5 -42.0 18.5 3.6 7.8 72 76 A A H X S+ 0 0 2 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.915 113.4 44.5 -60.9 -43.5 22.2 2.5 8.3 73 77 A S H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.881 111.6 52.3 -69.7 -37.8 22.4 1.6 4.6 74 78 A E H X S+ 0 0 69 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.941 113.3 45.2 -62.9 -44.5 20.7 4.9 3.5 75 79 A Q H X S+ 0 0 39 -4,-2.8 4,-1.7 1,-0.2 3,-0.4 0.964 114.1 49.0 -61.2 -52.3 23.2 6.8 5.6 76 80 A L H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.874 104.8 58.6 -55.9 -41.0 26.1 4.7 4.3 77 81 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.914 105.7 48.9 -57.9 -43.5 25.0 5.2 0.6 78 82 A G H X S+ 0 0 28 -4,-1.6 4,-1.4 -3,-0.4 -1,-0.2 0.918 112.3 48.8 -62.0 -42.8 25.2 9.0 1.0 79 83 A K H X S+ 0 0 74 -4,-1.7 4,-2.4 2,-0.2 3,-0.4 0.950 111.7 47.9 -60.4 -52.8 28.7 8.7 2.5 80 84 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.887 111.2 50.6 -56.3 -43.3 30.0 6.3 -0.2 81 85 A A H X S+ 0 0 3 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.793 109.3 54.8 -66.1 -26.6 28.6 8.6 -2.9 82 86 A E H X S+ 0 0 99 -4,-1.4 4,-0.8 -3,-0.4 -2,-0.2 0.942 109.5 43.1 -71.4 -50.1 30.4 11.4 -1.2 83 87 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 3,-0.6 0.870 111.4 56.0 -65.5 -34.9 33.8 9.8 -1.2 84 88 A K H ><5S+ 0 0 18 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.869 105.5 51.5 -65.6 -33.9 33.3 8.6 -4.8 85 89 A K H 3<5S+ 0 0 162 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.695 103.3 60.1 -74.3 -16.7 32.6 12.2 -5.8 86 90 A N T <<5S- 0 0 87 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.309 119.8-112.5 -90.4 7.6 35.9 13.1 -4.1 87 91 A G T < 5S+ 0 0 55 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.865 75.3 123.8 64.8 41.6 37.7 10.7 -6.5 88 92 A R < - 0 0 27 -5,-1.6 2,-0.5 -86,-0.1 -84,-0.3 -0.957 67.7-106.9-133.0 149.8 38.6 8.1 -3.9 89 93 A I E -b 4 0A 4 -86,-3.6 -84,-3.0 -2,-0.3 2,-0.4 -0.633 39.8-124.9 -75.6 122.1 38.0 4.4 -3.6 90 94 A S E -bc 5 268A 0 177,-1.3 179,-3.0 -2,-0.5 2,-0.6 -0.534 24.2-168.9 -72.3 124.5 35.5 3.8 -0.9 91 95 A L E -bc 6 269A 0 -86,-2.9 -84,-2.9 -2,-0.4 2,-0.9 -0.925 4.3-164.9-116.9 105.1 36.7 1.4 1.8 92 96 A V E -bc 7 270A 0 177,-3.0 179,-2.2 -2,-0.6 2,-1.1 -0.792 7.2-161.0 -96.4 102.3 33.8 0.4 4.1 93 97 A L E -bc 8 271A 2 -86,-1.5 -84,-3.0 -2,-0.9 179,-0.2 -0.702 36.5-165.8 -78.0 105.6 35.0 -1.2 7.3 94 98 A G - 0 0 1 177,-2.6 180,-0.2 -2,-1.1 2,-0.1 -0.170 41.1-151.6 -98.9-174.7 31.8 -2.9 8.2 95 99 A G S S- 0 0 0 1,-0.6 178,-2.8 -72,-0.1 179,-0.3 0.235 82.6 -3.0-111.4-118.7 29.7 -4.6 10.7 96 100 A D S > S- 0 0 0 -85,-1.7 3,-1.6 176,-0.2 -1,-0.6 -0.345 74.1-110.1 -80.8 158.5 27.3 -7.0 9.0 97 101 A H G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.473 101.6 88.4 -63.6 -5.3 26.9 -7.5 5.3 98 102 A S G > S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.798 75.9 71.4 -63.9 -25.7 23.4 -5.8 5.2 99 103 A L G <> S+ 0 0 0 -3,-1.6 4,-2.5 1,-0.3 3,-0.3 0.614 74.3 83.5 -63.8 -14.0 25.4 -2.6 4.7 100 104 A A H <>>S+ 0 0 0 -3,-1.9 4,-2.9 1,-0.2 5,-0.5 0.884 81.1 64.2 -57.9 -37.1 26.2 -3.8 1.2 101 105 A I H <>5S+ 0 0 0 -3,-1.5 4,-1.4 -4,-0.3 -1,-0.2 0.926 110.7 34.5 -52.3 -50.0 22.8 -2.4 0.3 102 106 A G H >5S+ 0 0 0 -4,-0.4 4,-2.7 -3,-0.3 5,-0.2 0.854 117.4 53.7 -75.6 -35.4 23.9 1.1 1.1 103 107 A S H X5S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.950 115.5 37.0 -64.3 -52.8 27.5 0.7 -0.1 104 108 A I H X5S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.868 117.0 55.2 -69.0 -34.8 26.8 -0.6 -3.5 105 109 A S H XX S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.2 3,-0.7 0.924 107.1 51.3 -68.5 -45.9 28.6 3.7 -5.3 108 112 A A H 3< S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.710 97.5 67.9 -65.3 -23.7 26.3 3.1 -8.2 109 113 A R H 3< S+ 0 0 135 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.909 114.0 29.9 -62.3 -41.2 24.9 6.7 -7.9 110 114 A V H << S+ 0 0 41 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.801 137.5 27.5 -87.3 -32.9 28.2 8.0 -9.0 111 115 A H >< + 0 0 49 -4,-2.4 3,-2.2 -5,-0.1 -1,-0.2 -0.558 63.4 173.5-131.7 72.3 29.2 5.0 -11.2 112 116 A P T 3 S+ 0 0 102 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.635 77.8 62.7 -52.4 -15.2 26.0 3.3 -12.5 113 117 A D T 3 S+ 0 0 72 -3,-0.1 -5,-0.1 52,-0.1 52,-0.0 0.296 75.1 134.5 -97.0 10.9 28.1 1.1 -14.7 114 118 A L < - 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0 0 52 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.885 40.3-175.5 59.3 42.8 21.4 -16.8 -14.7 191 195 A I < - 0 0 7 -5,-2.3 2,-0.4 -6,-0.3 -1,-0.2 -0.531 24.7-122.8 -75.4 133.3 23.9 -15.3 -12.2 192 196 A K E +f 171 0A 69 -22,-0.6 -20,-1.5 -25,-0.5 2,-0.3 -0.620 44.0 161.4 -77.3 127.4 27.5 -16.1 -12.7 193 197 A Y E -f 172 0A 54 -2,-0.4 2,-0.4 -22,-0.2 -20,-0.2 -0.979 37.2-151.6-147.7 157.5 29.1 -17.8 -9.7 194 198 A F E -f 173 0A 3 -22,-1.9 -20,-2.2 -2,-0.3 -19,-0.5 -0.893 23.9-170.3-130.1 96.4 32.1 -19.8 -8.7 195 199 A S E >> -f 175 0A 19 -2,-0.4 4,-1.7 -21,-0.2 3,-0.9 -0.248 48.2 -88.4 -77.3 176.2 31.2 -22.0 -5.7 196 200 A M H 3> S+ 0 0 18 -21,-2.8 4,-2.2 1,-0.3 5,-0.1 0.798 130.2 62.6 -58.2 -24.3 33.9 -23.8 -3.8 197 201 A T H 3> S+ 0 0 80 -22,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.880 103.8 45.4 -67.1 -39.7 33.3 -26.6 -6.3 198 202 A E H <> S+ 0 0 42 -3,-0.9 4,-2.8 2,-0.2 5,-0.5 0.798 111.6 52.1 -73.4 -30.4 34.3 -24.5 -9.3 199 203 A V H X S+ 0 0 3 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.894 111.4 48.1 -70.8 -39.6 37.4 -23.2 -7.4 200 204 A D H < S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.908 117.3 42.2 -66.3 -41.7 38.3 -26.9 -6.7 201 205 A R H < S+ 0 0 158 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.961 129.3 23.0 -68.8 -54.1 37.8 -27.8 -10.4 202 206 A L H < S- 0 0 65 -4,-2.8 4,-0.5 -5,-0.1 -3,-0.2 0.788 101.1-121.4 -87.7 -32.2 39.4 -24.8 -12.1 203 207 A G X - 0 0 29 -4,-1.8 4,-2.4 -5,-0.5 3,-0.3 0.086 31.5 -87.8 96.7 145.4 41.9 -23.3 -9.5 204 208 A I H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.780 125.7 62.2 -59.1 -27.9 41.7 -19.8 -8.2 205 209 A G H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.967 109.7 36.9 -62.3 -53.4 43.9 -18.7 -11.2 206 210 A K H > S+ 0 0 79 -4,-0.5 4,-2.9 -3,-0.3 5,-0.3 0.894 113.5 59.5 -66.0 -39.9 41.3 -19.7 -13.8 207 211 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.924 109.4 42.2 -54.9 -46.8 38.5 -18.5 -11.5 208 212 A M H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.846 111.4 56.1 -70.4 -33.0 39.9 -15.0 -11.4 209 213 A E H X S+ 0 0 120 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.958 113.3 40.5 -61.9 -49.4 40.7 -15.1 -15.1 210 214 A E H X S+ 0 0 53 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.833 112.8 55.3 -67.9 -36.1 37.0 -15.9 -15.9 211 215 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 5,-0.2 0.958 113.4 39.1 -62.9 -51.6 35.6 -13.5 -13.3 212 216 A L H X S+ 0 0 22 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.860 116.8 50.7 -68.3 -37.0 37.4 -10.4 -14.6 213 217 A S H X S+ 0 0 77 -4,-1.9 4,-0.7 -5,-0.3 -1,-0.2 0.928 110.6 51.0 -65.0 -44.6 36.9 -11.4 -18.3 214 218 A Y H < S+ 0 0 85 -4,-2.4 4,-0.3 1,-0.2 3,-0.3 0.919 119.9 34.3 -57.4 -48.7 33.2 -11.9 -17.5 215 219 A L H < S+ 0 0 5 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.794 128.5 34.7 -80.6 -30.7 32.8 -8.5 -15.9 216 220 A L H < S+ 0 0 12 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.137 88.5 106.1-111.1 19.3 35.3 -6.5 -18.1 217 221 A G S < S+ 0 0 51 -4,-0.7 3,-0.1 -3,-0.3 -3,-0.1 0.982 85.7 31.0 -61.7 -66.2 34.6 -8.3 -21.3 218 222 A R S S- 0 0 242 -4,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.931 136.5 -21.5 -61.2 -48.0 32.6 -5.8 -23.4 219 223 A K S S- 0 0 145 -4,-0.2 -1,-0.2 2,-0.0 2,-0.2 -0.995 71.2 -87.7-161.8 159.9 34.3 -2.8 -21.7 220 224 A K + 0 0 145 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.483 51.0 162.2 -70.9 136.4 36.2 -1.6 -18.7 221 225 A R - 0 0 30 -2,-0.2 -106,-0.1 -106,-0.0 -107,-0.1 -0.986 43.6 -73.7-152.2 158.1 34.1 -0.4 -15.8 222 226 A P - 0 0 24 0, 0.0 -107,-2.8 0, 0.0 2,-0.4 -0.175 45.7-139.8 -54.1 144.2 34.5 0.4 -12.0 223 227 A I E -dg 115 266A 0 42,-2.5 44,-3.7 -109,-0.2 45,-2.2 -0.915 11.6-163.7-112.8 135.1 34.7 -2.6 -9.7 224 228 A H E -dg 116 268A 0 -109,-2.8 -107,-2.5 -2,-0.4 2,-0.7 -0.974 8.4-163.4-115.8 117.4 33.0 -3.0 -6.4 225 229 A L E -dg 117 269A 0 43,-3.3 45,-2.8 -2,-0.5 2,-0.9 -0.904 4.9-170.1-105.2 114.0 34.4 -5.8 -4.2 226 230 A S E -dg 118 270A 0 -109,-2.4 -107,-1.5 -2,-0.7 2,-0.7 -0.879 11.8-168.6-103.7 102.1 32.2 -6.8 -1.3 227 231 A F E -dg 119 271A 7 43,-2.6 45,-2.7 -2,-0.9 2,-0.6 -0.829 7.7-162.5 -99.0 111.5 34.4 -9.1 0.7 228 232 A D E > - g 0 272A 2 -109,-3.0 3,-2.7 -2,-0.7 4,-0.3 -0.837 19.0-137.9 -92.6 119.7 32.6 -11.1 3.4 229 233 A V G > S+ 0 0 4 43,-2.4 3,-1.4 -2,-0.6 -1,-0.1 0.764 99.6 63.7 -46.9 -33.9 35.2 -12.4 5.9 230 234 A D G 3 S+ 0 0 1 1,-0.3 14,-0.3 42,-0.1 -1,-0.3 0.423 79.0 84.1 -76.8 4.7 33.5 -15.8 6.1 231 235 A G G < S+ 0 0 0 -3,-2.7 17,-1.9 -112,-0.3 -1,-0.3 0.773 85.1 69.0 -73.5 -25.6 34.2 -16.4 2.5 232 236 A L B < S-j 248 0D 2 -3,-1.4 12,-0.3 -4,-0.3 17,-0.2 -0.603 107.9 -84.7 -88.9 155.1 37.6 -17.6 3.7 233 237 A D >> - 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