==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-12 4GWC . COMPND 2 MOLECULE: ARGINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.L.D'ANTONIO,Y.HAI,D.W.CHRISTIANSON . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 14.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 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 . 60 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 28.9 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 2 1 1 1 1 1 0 0 0 2 1 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 6 4 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 . 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 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 0 127 0, 0.0 2,-0.7 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 134.8 -27.5 -18.3 8.4 2 6 A R - 0 0 130 298,-0.1 40,-0.4 38,-0.0 2,-0.2 -0.917 360.0-144.7-101.2 114.6 -27.9 -14.7 7.5 3 7 A T - 0 0 24 -2,-0.7 86,-2.8 84,-0.4 2,-0.3 -0.561 9.5-144.3 -86.0 146.3 -30.1 -14.6 4.4 4 8 A I E -ab 43 89A 0 38,-2.2 40,-1.3 84,-0.3 2,-0.4 -0.735 10.6-161.6-112.8 156.8 -29.9 -12.2 1.5 5 9 A G E -ab 44 90A 0 84,-2.1 86,-2.4 -2,-0.3 40,-0.2 -0.870 18.7-141.3-140.3 102.9 -32.3 -10.4 -0.9 6 10 A I E -ab 45 91A 2 38,-0.8 40,-2.7 -2,-0.4 2,-0.4 -0.389 17.6-176.3 -66.3 133.9 -30.9 -9.0 -4.2 7 11 A I E - b 0 92A 1 84,-2.9 86,-2.1 38,-0.2 2,-0.3 -0.899 10.0-158.5-133.6 100.2 -32.4 -5.6 -5.2 8 12 A G E -ab 48 93A 0 39,-1.1 41,-3.2 -2,-0.4 86,-0.2 -0.651 9.6-176.0 -80.0 136.2 -31.1 -4.4 -8.6 9 13 A A - 0 0 0 84,-2.8 2,-2.3 -2,-0.3 90,-0.1 -0.706 8.9-174.5-135.4 84.3 -31.5 -0.6 -9.0 10 14 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 41,-0.2 -0.386 37.0 139.0 -78.1 65.7 -30.5 0.6 -12.5 11 15 A F + 0 0 10 -2,-2.3 85,-0.7 9,-0.2 88,-0.1 -0.840 19.9 157.8-111.8 149.5 -30.9 4.3 -11.7 12 16 A S > + 0 0 12 -2,-0.3 3,-2.1 83,-0.2 8,-0.1 0.410 42.7 105.6-147.1 -7.3 -28.6 7.1 -12.8 13 17 A K T 3 + 0 0 55 1,-0.3 123,-0.3 55,-0.1 56,-0.2 0.347 67.9 79.9 -66.8 12.7 -30.4 10.4 -12.7 14 18 A G T 3 S+ 0 0 1 1,-0.2 123,-2.3 121,-0.1 -1,-0.3 0.529 106.8 15.1 -92.6 -8.6 -28.5 11.3 -9.5 15 19 A Q S < S- 0 0 7 -3,-2.1 -1,-0.2 121,-0.2 489,-0.1 -0.974 81.5-106.7-157.5 161.4 -25.5 12.3 -11.6 16 20 A P S S+ 0 0 52 0, 0.0 2,-1.2 0, 0.0 488,-0.3 0.951 93.9 77.0 -59.6 -60.6 -24.7 13.1 -15.3 17 21 A R > - 0 0 66 486,-0.2 3,-1.0 1,-0.2 485,-0.2 -0.376 64.8-166.2 -59.8 94.4 -22.7 10.1 -16.6 18 22 A G G > + 0 0 6 483,-1.6 3,-2.7 -2,-1.2 4,-0.2 0.555 61.5 99.4 -62.1 -11.2 -25.6 7.7 -17.2 19 23 A G G > + 0 0 6 483,-0.4 3,-0.8 1,-0.3 -1,-0.2 0.737 66.9 74.7 -48.8 -27.6 -23.5 4.5 -17.6 20 24 A V G X S+ 0 0 0 -3,-1.0 3,-0.9 1,-0.2 -1,-0.3 0.750 76.3 82.6 -57.9 -25.1 -24.2 3.6 -13.9 21 25 A E G < S+ 0 0 70 -3,-2.7 2,-1.4 1,-0.3 -1,-0.2 0.916 92.1 44.0 -42.6 -60.8 -27.7 2.6 -15.1 22 26 A E G <> S+ 0 0 120 -3,-0.8 4,-0.6 -4,-0.2 -1,-0.3 -0.411 83.4 107.1 -88.8 57.7 -26.6 -0.9 -16.3 23 27 A G H <> S+ 0 0 1 -2,-1.4 4,-1.5 -3,-0.9 -1,-0.2 0.779 72.2 54.4-101.2 -41.2 -24.5 -1.6 -13.3 24 28 A P H > S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.813 108.7 56.6 -62.8 -24.3 -26.7 -4.2 -11.6 25 29 A T H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.951 104.3 46.2 -70.1 -53.1 -26.4 -5.9 -14.9 26 30 A V H < S+ 0 0 21 -4,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.757 111.9 54.8 -64.0 -23.7 -22.7 -6.2 -15.2 27 31 A L H ><>S+ 0 0 0 -4,-1.5 5,-1.5 2,-0.2 3,-0.6 0.897 108.2 46.4 -76.6 -41.7 -22.6 -7.4 -11.5 28 32 A R H ><5S+ 0 0 46 -4,-1.6 3,-1.7 1,-0.2 6,-0.3 0.889 109.0 53.4 -67.9 -40.7 -25.0 -10.3 -12.1 29 33 A K T 3<5S+ 0 0 169 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.569 99.5 65.6 -71.6 -6.2 -23.4 -11.6 -15.3 30 34 A A T < 5S- 0 0 29 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.662 122.8-110.7 -84.2 -18.6 -20.2 -11.6 -13.1 31 35 A G T <>5 + 0 0 14 -3,-1.7 4,-3.4 -4,-0.3 5,-0.3 0.618 67.6 147.9 99.3 17.6 -22.0 -14.3 -11.2 32 36 A L H > S+ 0 0 21 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.944 116.1 50.0 -54.5 -51.0 -25.9 -14.2 -7.1 34 38 A E H > S+ 0 0 86 -6,-0.3 4,-3.3 1,-0.2 -2,-0.2 0.923 111.5 47.5 -52.8 -51.0 -24.3 -17.5 -8.1 35 39 A K H < S+ 0 0 69 -4,-3.4 -1,-0.2 2,-0.2 -2,-0.2 0.792 109.4 54.0 -63.8 -31.5 -21.2 -16.9 -5.9 36 40 A L H ><>S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.3 5,-1.1 0.934 114.1 40.7 -68.0 -45.7 -23.4 -15.9 -3.0 37 41 A K H 3<5S+ 0 0 114 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.905 104.5 66.9 -66.2 -40.1 -25.2 -19.1 -3.3 38 42 A E T 3<5S+ 0 0 148 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.655 104.9 57.3 -53.4 -13.9 -21.9 -20.8 -3.9 39 43 A Q T < 5S- 0 0 37 -3,-1.2 262,-0.1 -4,-0.2 -3,-0.1 -0.248 120.7 -77.5-101.9-166.6 -21.3 -19.7 -0.3 40 44 A E T 5S+ 0 0 99 260,-0.2 -3,-0.1 -2,-0.1 -2,-0.1 0.311 92.5 127.5 -78.5 11.5 -23.4 -20.6 2.8 41 45 A C < - 0 0 20 -5,-1.1 2,-0.6 -6,-0.2 -38,-0.1 -0.333 57.0-148.7 -78.0 152.2 -25.9 -18.1 1.6 42 46 A D - 0 0 71 -40,-0.4 -38,-2.2 -2,-0.1 2,-0.4 -0.962 32.8-168.8-115.2 101.7 -29.6 -18.3 1.1 43 47 A V E +a 4 0A 4 -2,-0.6 2,-0.4 -40,-0.2 -38,-0.2 -0.837 21.4 178.2-108.9 136.7 -30.2 -15.9 -1.8 44 48 A K E -a 5 0A 100 -40,-1.3 -38,-0.8 -2,-0.4 2,-0.7 -0.936 17.1-151.7-135.0 109.3 -33.4 -14.4 -3.3 45 49 A D E -a 6 0A 68 -2,-0.4 -38,-0.2 -40,-0.2 3,-0.1 -0.717 4.8-165.3 -84.2 112.9 -33.2 -11.9 -6.1 46 50 A Y E - 0 0 77 -40,-2.7 -1,-0.1 -2,-0.7 -39,-0.1 0.321 45.1-117.0 -80.1 9.8 -36.2 -9.5 -6.1 47 51 A G E - 0 0 24 -41,-0.1 -39,-1.1 2,-0.1 2,-0.2 0.088 42.1 -49.4 77.9 167.7 -35.3 -8.4 -9.6 48 52 A D E -a 8 0A 67 -41,-0.2 -39,-0.2 -3,-0.1 -41,-0.0 -0.549 56.5-115.8 -77.9 138.4 -34.2 -5.0 -11.0 49 53 A L - 0 0 15 -41,-3.2 2,-0.8 -2,-0.2 -1,-0.1 -0.642 24.7-140.5 -76.8 111.7 -36.4 -2.0 -10.0 50 54 A P - 0 0 109 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.636 15.3-161.9 -75.4 108.1 -38.0 -0.7 -13.2 51 55 A F - 0 0 38 -2,-0.8 3,-0.1 -41,-0.2 21,-0.1 -0.726 14.9-140.0 -96.3 88.3 -37.8 3.1 -12.7 52 56 A A - 0 0 86 -2,-1.1 2,-0.2 1,-0.1 20,-0.1 0.032 27.6 -96.8 -43.2 151.5 -40.3 4.5 -15.3 53 57 A D - 0 0 111 1,-0.1 -1,-0.1 2,-0.0 15,-0.0 -0.511 26.0-159.9 -76.5 141.2 -39.2 7.6 -17.1 54 58 A I + 0 0 47 -2,-0.2 14,-0.1 1,-0.2 13,-0.1 -0.680 13.0 178.4-120.6 74.2 -40.4 11.0 -15.8 55 59 A P S S+ 0 0 54 0, 0.0 2,-1.8 0, 0.0 -1,-0.2 0.834 70.7 65.1 -42.4 -49.1 -39.9 13.3 -18.9 56 60 A N + 0 0 103 1,-0.1 2,-0.1 11,-0.0 11,-0.0 -0.548 66.3 123.9 -83.0 78.2 -41.3 16.4 -17.2 57 61 A D + 0 0 16 -2,-1.8 8,-0.5 10,-0.1 -1,-0.1 -0.490 33.2 173.0-138.8 65.8 -38.6 16.8 -14.5 58 62 A S - 0 0 30 1,-0.2 9,-0.2 7,-0.1 -2,-0.0 -0.110 43.1 -75.1 -66.2 169.1 -37.1 20.3 -14.8 59 63 A P - 0 0 43 0, 0.0 2,-0.6 0, 0.0 5,-0.2 -0.247 29.2-143.4 -68.5 156.6 -34.6 21.6 -12.3 60 64 A F B > S-H 63 0B 58 3,-2.3 3,-1.8 -3,-0.1 2,-0.7 -0.917 73.9 -54.1-119.5 96.7 -35.6 22.8 -8.8 61 65 A Q T 3 S- 0 0 98 -2,-0.6 68,-0.1 1,-0.3 0, 0.0 -0.596 122.1 -25.1 68.9-110.4 -33.3 25.8 -8.2 62 66 A I T 3 S+ 0 0 76 -2,-0.7 -1,-0.3 66,-0.2 2,-0.2 0.630 112.9 109.6-105.2 -19.7 -30.0 24.0 -8.9 63 67 A V B < -H 60 0B 0 -3,-1.8 -3,-2.3 65,-0.1 2,-0.3 -0.404 60.0-143.7 -64.4 125.1 -31.1 20.5 -8.1 64 68 A K - 0 0 51 70,-2.2 72,-0.4 1,-0.2 5,-0.1 -0.653 67.5 -4.1 -95.2 148.9 -31.3 18.2 -11.1 65 69 A N S > S+ 0 0 54 -8,-0.5 4,-2.1 -2,-0.3 5,-0.3 0.842 73.5 164.0 41.5 47.9 -33.9 15.5 -11.8 66 70 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 71.0 45.4 -61.7 -38.0 -35.5 15.9 -8.4 67 71 A R H > S+ 0 0 83 -9,-0.2 4,-1.7 2,-0.2 5,-0.2 0.816 113.3 50.6 -75.2 -29.6 -38.7 13.9 -9.2 68 72 A S H > S+ 0 0 8 2,-0.2 4,-2.0 3,-0.2 -1,-0.2 0.860 115.6 41.8 -73.5 -39.2 -36.8 11.1 -10.9 69 73 A V H X S+ 0 0 0 -4,-2.1 4,-1.6 -56,-0.2 5,-0.2 0.908 116.1 48.8 -73.9 -45.7 -34.4 10.7 -8.0 70 74 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 86,-0.3 -2,-0.2 0.852 114.2 46.7 -63.5 -36.1 -37.2 11.1 -5.4 71 75 A K H X S+ 0 0 88 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.946 110.6 49.8 -71.6 -50.5 -39.4 8.6 -7.2 72 76 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.795 116.9 44.0 -58.7 -30.0 -36.7 5.9 -7.7 73 77 A S H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.880 109.1 53.2 -83.5 -41.6 -35.8 6.2 -4.0 74 78 A E H X S+ 0 0 75 -4,-2.2 4,-1.1 83,-0.2 -2,-0.2 0.844 114.2 46.2 -62.1 -30.7 -39.4 6.2 -2.7 75 79 A Q H X S+ 0 0 37 -4,-2.1 4,-1.4 2,-0.2 3,-0.4 0.959 111.1 49.3 -73.3 -54.4 -39.9 3.0 -4.7 76 80 A L H X S+ 0 0 0 -4,-1.8 4,-3.5 1,-0.3 3,-0.4 0.880 106.9 56.7 -52.3 -43.2 -36.6 1.4 -3.5 77 81 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.3 -1,-0.3 0.914 104.9 52.3 -56.0 -43.5 -37.5 2.2 0.1 78 82 A G H < S+ 0 0 30 -4,-1.1 4,-0.5 -3,-0.4 -1,-0.3 0.814 114.1 43.2 -62.4 -31.3 -40.7 0.3 -0.3 79 83 A K H >X S+ 0 0 74 -4,-1.4 4,-2.0 -3,-0.4 3,-0.8 0.923 111.8 51.3 -79.1 -49.4 -38.8 -2.7 -1.6 80 84 A V H 3X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.3 5,-0.2 0.933 109.4 52.1 -51.8 -49.1 -36.0 -2.5 0.9 81 85 A A H 3X S+ 0 0 5 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.3 0.781 108.0 55.4 -59.6 -26.7 -38.7 -2.5 3.6 82 86 A E H <> S+ 0 0 90 -3,-0.8 4,-0.7 -4,-0.5 -2,-0.2 0.938 108.8 41.5 -74.0 -50.1 -40.2 -5.6 2.0 83 87 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.5 1,-0.2 3,-0.9 0.917 112.9 54.4 -65.7 -42.8 -37.2 -7.9 2.0 84 88 A K H ><5S+ 0 0 19 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.856 108.4 50.0 -60.1 -33.1 -36.2 -6.8 5.5 85 89 A K H 3<5S+ 0 0 148 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.686 103.0 62.7 -76.3 -17.9 -39.7 -7.7 6.6 86 90 A N T <<5S- 0 0 87 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 -0.125 124.7-102.5 -97.0 34.6 -39.1 -11.1 4.8 87 91 A G T < 5S+ 0 0 64 -3,-0.8 -84,-0.4 1,-0.2 2,-0.3 0.755 83.6 115.6 50.9 38.0 -36.3 -11.9 7.2 88 92 A R < - 0 0 32 -5,-1.5 2,-0.4 -86,-0.1 -84,-0.3 -0.825 67.8-108.1-131.6 168.1 -33.5 -11.0 4.8 89 93 A I E -b 4 0A 6 -86,-2.8 -84,-2.1 -2,-0.3 2,-0.5 -0.783 38.0-121.2 -93.7 137.9 -30.6 -8.6 4.4 90 94 A S E -bc 5 268A 0 177,-2.1 179,-2.9 -2,-0.4 2,-0.7 -0.701 24.7-171.0 -85.4 122.4 -31.1 -6.0 1.6 91 95 A L E -bc 6 269A 0 -86,-2.4 -84,-2.9 -2,-0.5 2,-0.8 -0.902 6.2-168.2-113.0 102.3 -28.4 -6.1 -1.1 92 96 A V E -bc 7 270A 0 177,-3.0 179,-2.8 -2,-0.7 2,-0.9 -0.809 6.8-165.2 -97.0 107.4 -28.9 -3.1 -3.3 93 97 A L E -bc 8 271A 1 -86,-2.1 -84,-2.8 -2,-0.8 179,-0.2 -0.813 32.3-177.7 -87.1 111.3 -26.9 -3.3 -6.5 94 98 A G - 0 0 2 177,-2.8 180,-0.2 -2,-0.9 3,-0.1 -0.179 43.4-144.3-107.1-164.7 -27.1 0.3 -7.6 95 99 A G S S+ 0 0 0 1,-0.6 178,-1.6 -72,-0.1 2,-0.3 0.553 84.6 5.2-118.1 -79.3 -26.3 2.9 -10.2 96 100 A D S > S- 0 0 0 -85,-0.7 3,-1.4 176,-0.2 -1,-0.6 -0.775 74.0-111.6-113.1 160.1 -25.6 6.2 -8.4 97 101 A H G > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 4,-0.3 0.433 100.5 85.3 -68.0 -2.7 -25.4 6.9 -4.6 98 102 A S G > S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.775 77.4 71.8 -70.4 -22.7 -28.6 9.0 -4.5 99 103 A L G X> S+ 0 0 0 -3,-1.4 4,-2.4 1,-0.3 3,-0.5 0.709 76.1 79.5 -63.3 -20.5 -30.4 5.7 -4.1 100 104 A A H <>>S+ 0 0 0 -3,-1.2 4,-3.1 1,-0.2 5,-0.6 0.922 81.2 67.4 -55.0 -41.5 -29.0 5.5 -0.6 101 105 A I H <>5S+ 0 0 0 -3,-1.2 4,-1.4 -4,-0.3 -1,-0.2 0.904 110.6 32.6 -43.8 -52.4 -31.8 7.9 0.4 102 106 A G H <>5S+ 0 0 0 -3,-0.5 4,-2.5 -4,-0.4 -1,-0.2 0.848 116.9 56.3 -76.3 -34.3 -34.4 5.3 -0.3 103 107 A S H X5S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.922 114.2 37.1 -63.6 -48.3 -32.3 2.3 0.7 104 108 A I H X5S+ 0 0 1 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.847 114.5 58.4 -73.8 -33.3 -31.5 3.5 4.2 105 109 A S H XX S+ 0 0 0 -4,-1.8 4,-3.1 1,-0.2 3,-0.7 0.898 107.4 52.7 -55.4 -43.3 -34.3 -0.3 6.1 108 112 A A H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 95.9 66.5 -61.8 -40.5 -35.1 2.1 9.0 109 113 A R H 3< S+ 0 0 131 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 115.5 31.3 -50.3 -33.8 -38.9 1.6 8.6 110 114 A V H << S+ 0 0 41 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.912 136.6 24.0 -90.7 -52.4 -38.1 -1.9 9.8 111 115 A H >< + 0 0 51 -4,-3.1 3,-2.0 -5,-0.1 -1,-0.2 -0.721 64.3 174.3-117.5 82.6 -35.1 -1.4 12.1 112 116 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.612 77.7 63.4 -60.7 -13.6 -35.3 2.3 13.3 113 117 A D T 3 S+ 0 0 78 -5,-0.1 -5,-0.1 -3,-0.1 -2,-0.0 0.420 78.3 135.4 -92.3 1.1 -32.3 1.7 15.6 114 118 A L < - 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0 0 22 -2,-0.3 3,-1.8 -21,-0.2 4,-0.1 -0.443 34.7-108.8 -86.7 162.3 -29.0 11.2 13.9 167 171 A A G > S+ 0 0 3 1,-0.3 3,-0.7 2,-0.2 25,-0.6 0.772 118.4 57.8 -62.5 -25.9 -25.4 12.6 13.4 168 172 A K G 3 S+ 0 0 119 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.274 95.9 65.7 -89.3 11.6 -24.1 10.1 16.0 169 173 A D G < S+ 0 0 24 -3,-1.8 -53,-2.8 -54,-0.1 2,-0.4 0.293 90.5 70.7-114.0 7.8 -25.4 7.1 14.1 170 174 A I E < -e 116 0A 0 -3,-0.7 22,-0.7 -55,-0.2 2,-0.4 -0.979 54.8-167.8-130.8 140.9 -23.2 7.3 11.1 171 175 A V E -ef 117 192A 0 -55,-2.5 -53,-3.7 -2,-0.4 2,-0.3 -0.991 10.4-152.3-126.2 132.0 -19.5 6.7 10.5 172 176 A Y E -ef 118 193A 0 20,-1.4 22,-2.0 -2,-0.4 2,-0.4 -0.802 11.1-173.6-101.3 146.4 -17.7 7.6 7.4 173 177 A I E +ef 119 194A 0 -55,-2.1 -53,-1.5 -2,-0.3 22,-0.2 -0.983 63.7 23.3-141.0 126.4 -14.6 5.8 6.2 174 178 A G + 0 0 0 20,-2.3 22,-0.2 -2,-0.4 21,-0.2 0.271 69.9 165.0 109.2 -11.0 -12.4 6.8 3.3 175 179 A L + 0 0 3 19,-0.3 21,-2.4 1,-0.1 22,-0.3 -0.037 14.1 139.4 -46.9 133.6 -13.0 10.5 2.9 176 180 A R + 0 0 51 -55,-2.8 -54,-0.2 19,-0.2 -1,-0.1 0.313 64.3 52.5-157.4 7.1 -10.6 12.5 0.8 177 181 A D + 0 0 72 -56,-1.7 2,-0.4 67,-0.1 -54,-0.3 -0.572 66.7 156.9-150.6 76.0 -12.6 15.0 -1.3 178 182 A V - 0 0 48 -56,-0.1 -56,-0.1 -2,-0.1 5,-0.0 -0.893 35.7-129.1-111.1 133.8 -14.9 17.0 1.0 179 183 A D > - 0 0 49 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.178 27.3-111.5 -70.0 168.4 -16.3 20.5 0.2 180 184 A P H > S+ 0 0 113 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.872 119.2 48.9 -70.4 -37.2 -16.0 23.4 2.8 181 185 A G H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.880 110.9 51.7 -69.0 -36.4 -19.7 23.4 3.5 182 186 A E H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.895 108.6 49.5 -66.2 -41.5 -19.6 19.6 4.0 183 187 A H H X S+ 0 0 87 -4,-1.9 4,-2.2 1,-0.2 5,-0.3 0.917 108.1 55.1 -63.7 -42.1 -16.7 19.8 6.4 184 188 A Y H X S+ 0 0 160 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.886 105.8 51.2 -57.4 -42.7 -18.5 22.5 8.4 185 189 A I H X S+ 0 0 17 -4,-1.7 4,-2.8 2,-0.2 6,-0.3 0.869 108.8 53.4 -64.2 -37.3 -21.5 20.2 8.8 186 190 A L H X>S+ 0 0 2 -4,-1.7 5,-2.0 2,-0.2 4,-0.6 0.992 112.6 40.1 -59.7 -64.8 -19.2 17.4 10.1 187 191 A K H <5S+ 0 0 116 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.848 119.9 48.4 -52.8 -40.5 -17.6 19.4 12.8 188 192 A T H <5S+ 0 0 80 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.950 117.6 36.4 -68.0 -54.9 -21.0 21.1 13.7 189 193 A L H <5S- 0 0 36 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.362 109.9-125.3 -79.6 4.4 -23.2 18.0 13.8 190 194 A G T <5 - 0 0 48 -4,-0.6 2,-0.2 1,-0.2 -3,-0.2 0.864 39.3-172.0 52.5 45.0 -20.2 16.2 15.4 191 195 A I < - 0 0 8 -5,-2.0 2,-0.3 -6,-0.3 -1,-0.2 -0.498 21.1-122.9 -74.7 133.1 -20.2 13.5 12.8 192 196 A K E +f 171 0A 52 -22,-0.7 -20,-1.4 -25,-0.6 2,-0.3 -0.551 44.4 155.9 -75.2 132.9 -17.9 10.5 13.3 193 197 A Y E -f 172 0A 49 -2,-0.3 2,-0.5 -22,-0.2 -20,-0.2 -0.998 39.8-151.1-159.5 155.4 -15.5 9.9 10.5 194 198 A F E -f 173 0A 6 -22,-2.0 -20,-2.3 -2,-0.3 -19,-0.3 -0.859 25.2-171.2-129.3 93.3 -12.2 8.3 9.5 195 199 A S > - 0 0 16 -2,-0.5 4,-1.9 -22,-0.2 3,-0.2 -0.153 47.0 -89.5 -72.7 179.0 -10.8 10.2 6.5 196 200 A M H > S+ 0 0 18 -21,-2.4 4,-2.0 1,-0.2 5,-0.1 0.731 128.0 62.7 -64.3 -21.6 -7.7 8.8 4.7 197 201 A T H > S+ 0 0 81 -22,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.950 106.8 41.6 -67.1 -49.0 -5.6 10.9 7.1 198 202 A E H >>S+ 0 0 36 2,-0.2 4,-3.2 -3,-0.2 5,-0.5 0.825 112.5 55.1 -67.2 -33.1 -6.9 8.9 10.1 199 203 A V H X5S+ 0 0 3 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.909 110.9 45.3 -67.0 -39.9 -6.6 5.6 8.2 200 204 A D H <5S+ 0 0 122 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.873 117.9 44.7 -69.0 -37.7 -3.0 6.4 7.5 201 205 A R H <5S+ 0 0 147 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.934 128.7 22.4 -71.3 -48.4 -2.4 7.4 11.1 202 206 A L H <5S- 0 0 57 -4,-3.2 4,-0.4 -5,-0.1 -3,-0.2 0.857 101.8-120.5 -90.6 -41.3 -4.3 4.6 12.8 203 207 A G X< - 0 0 27 -4,-1.7 4,-2.2 -5,-0.5 5,-0.2 -0.110 29.7 -89.9 106.9 149.3 -4.4 1.7 10.3 204 208 A I H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.773 123.4 63.8 -66.4 -22.5 -7.5 0.1 8.9 205 209 A G H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.972 109.9 33.6 -64.5 -55.9 -7.3 -2.4 11.9 206 210 A K H > S+ 0 0 94 -4,-0.4 4,-3.2 1,-0.2 5,-0.3 0.876 113.0 61.9 -68.6 -36.9 -7.9 0.2 14.6 207 211 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.877 108.1 44.4 -56.8 -37.1 -10.2 2.3 12.4 208 212 A M H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.843 111.6 52.2 -76.8 -33.1 -12.5 -0.7 12.2 209 213 A E H X S+ 0 0 121 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.940 114.2 44.2 -64.2 -47.4 -12.2 -1.3 16.0 210 214 A E H X S+ 0 0 49 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.818 112.4 49.3 -68.6 -36.5 -13.1 2.3 16.7 211 215 A T H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.3 5,-0.2 0.930 113.3 47.3 -72.0 -40.5 -16.0 2.6 14.2 212 216 A L H X S+ 0 0 26 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.834 114.3 45.0 -68.0 -35.2 -17.7 -0.6 15.4 213 217 A S H X S+ 0 0 72 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.788 112.2 54.4 -78.5 -27.9 -17.4 0.3 19.1 214 218 A Y H < S+ 0 0 80 -4,-1.3 3,-0.5 -5,-0.2 4,-0.3 0.950 117.6 35.2 -66.9 -49.3 -18.6 3.8 18.2 215 219 A L H < S+ 0 0 3 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.858 131.2 31.7 -73.4 -36.2 -21.6 2.4 16.6 216 220 A L H < S+ 0 0 14 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.077 84.9 111.1-111.0 24.0 -22.1 -0.6 19.0 217 221 A G S < S+ 0 0 55 -4,-0.6 -1,-0.1 -3,-0.5 -3,-0.1 0.981 91.3 23.1 -59.7 -61.2 -20.8 1.0 22.2 218 222 A R S S- 0 0 241 -4,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.918 135.7 -5.2 -73.7 -47.2 -24.1 1.2 24.0 219 223 A K - 0 0 146 -4,-0.3 -1,-0.2 2,-0.0 2,-0.1 -0.996 67.9-106.7-151.2 154.2 -26.1 -1.5 22.2 220 224 A K + 0 0 147 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.494 48.2 165.1 -75.2 148.1 -25.9 -3.9 19.3 221 225 A R - 0 0 35 -2,-0.1 -106,-0.2 -106,-0.0 -107,-0.1 -0.973 43.5 -68.6-165.2 153.1 -28.1 -2.9 16.4 222 226 A P - 0 0 17 0, 0.0 -107,-2.4 0, 0.0 2,-0.5 -0.108 50.6-142.6 -44.8 131.0 -28.8 -3.5 12.7 223 227 A I E -dg 115 266A 0 42,-2.8 44,-2.9 -109,-0.2 45,-2.3 -0.891 12.4-164.0-107.7 128.2 -25.9 -2.3 10.5 224 228 A H E -dg 116 268A 0 -109,-3.1 -107,-2.3 -2,-0.5 2,-0.6 -0.943 6.8-161.5-108.3 122.1 -26.3 -0.7 7.1 225 229 A L E -dg 117 269A 0 43,-4.2 45,-2.7 -2,-0.5 2,-0.8 -0.921 3.8-167.7-108.4 116.0 -23.2 -0.5 5.0 226 230 A S E -dg 118 270A 0 -109,-2.7 -107,-2.4 -2,-0.6 2,-0.7 -0.890 11.3-171.0-103.1 104.5 -23.3 2.0 2.2 227 231 A F E -dg 119 271A 6 43,-2.1 45,-2.2 -2,-0.8 2,-0.6 -0.865 8.8-167.0-105.2 109.0 -20.3 1.2 -0.1 228 232 A D E > - g 0 272A 3 -109,-2.9 3,-2.7 -2,-0.7 4,-0.3 -0.842 22.7-136.6 -92.4 121.7 -19.5 3.7 -2.8 229 233 A V G > S+ 0 0 3 43,-2.0 3,-1.2 -2,-0.6 -1,-0.1 0.736 100.5 67.1 -51.6 -26.5 -17.0 2.1 -5.2 230 234 A D G 3 S+ 0 0 3 1,-0.2 14,-0.4 42,-0.1 -1,-0.3 0.484 78.1 82.9 -76.4 0.3 -15.0 5.3 -5.3 231 235 A G G < S+ 0 0 0 -3,-2.7 17,-2.1 -112,-0.3 -1,-0.2 0.862 86.9 65.7 -67.9 -33.9 -14.1 4.8 -1.7 232 236 A L B < S-j 248 0D 3 -3,-1.2 12,-0.3 -4,-0.3 17,-0.2 -0.424 106.8 -83.9 -83.2 162.6 -11.4 2.5 -3.0 233 237 A D >> - 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