==== 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 04-MAY-04 1T5F . COMPND 2 MOLECULE: ARGINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.SHIN,E.CAMA,D.W.CHRISTIANSON . 942 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 141 15.0 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 . 74 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 4 0 0 3 3 0 1 3 0 0 0 3 0 3 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 9 9 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 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 0 143 0, 0.0 40,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.2 55.3 54.9 2.8 2 7 A P E -a 41 0A 49 0, 0.0 86,-3.4 0, 0.0 2,-0.4 -0.795 360.0-158.7-105.6 144.6 56.4 55.9 -0.7 3 8 A I E -ab 42 88A 2 38,-3.4 40,-2.5 -2,-0.3 2,-0.5 -0.942 2.2-164.4-117.4 137.8 58.9 54.2 -3.0 4 9 A E E -ab 43 89A 15 84,-2.7 86,-2.2 -2,-0.4 2,-0.4 -0.954 9.1-150.6-126.5 115.3 60.7 55.9 -5.9 5 10 A I E -ab 44 90A 0 38,-1.9 40,-2.8 -2,-0.5 2,-0.4 -0.690 14.3-174.4 -83.5 132.5 62.5 53.9 -8.5 6 11 A I E - b 0 91A 0 84,-2.9 86,-2.4 -2,-0.4 2,-0.4 -0.982 13.3-146.8-130.4 116.2 65.4 55.5 -10.1 7 12 A G E -ab 47 92A 0 39,-2.3 41,-2.3 -2,-0.4 86,-0.2 -0.685 11.4-172.2 -86.6 137.1 67.2 53.9 -13.0 8 13 A A - 0 0 0 84,-2.9 2,-2.3 -2,-0.4 86,-0.2 -0.701 2.7-177.1-127.0 76.1 70.9 54.3 -13.4 9 14 A P + 0 0 34 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.484 34.5 138.1 -74.6 74.5 71.8 52.8 -16.8 10 15 A F + 0 0 10 -2,-2.3 85,-2.0 9,-0.2 88,-0.1 -0.961 25.4 163.6-126.1 140.7 75.5 53.4 -16.4 11 16 A S > + 0 0 21 -2,-0.4 3,-1.8 83,-0.2 8,-0.1 0.456 48.1 101.2-134.7 -1.2 78.5 51.2 -17.3 12 17 A K T 3 + 0 0 64 1,-0.3 123,-0.3 83,-0.1 56,-0.1 0.577 68.4 80.3 -65.5 -6.5 81.7 53.3 -17.5 13 18 A G T 3 S+ 0 0 0 122,-0.1 123,-2.9 121,-0.1 124,-0.4 0.585 105.3 20.4 -74.9 -8.0 82.6 52.0 -14.0 14 19 A C S < S- 0 0 29 -3,-1.8 81,-0.1 121,-0.2 -1,-0.0 -0.970 81.3-109.3-153.3 163.5 83.9 48.8 -15.6 15 20 A P S S+ 0 0 93 0, 0.0 2,-0.8 0, 0.0 -3,-0.1 0.662 88.2 87.6 -71.3 -20.7 85.1 47.4 -19.0 16 21 A R > - 0 0 139 -5,-0.1 3,-0.8 2,-0.0 224,-0.1 -0.727 68.8-146.8 -89.7 109.3 82.1 45.1 -19.8 17 22 A G T 3 S+ 0 0 47 -2,-0.8 259,-0.0 1,-0.2 257,-0.0 -0.305 70.3 69.0 -66.0 156.1 79.3 46.9 -21.6 18 23 A G T > + 0 0 1 257,-0.1 3,-1.8 258,-0.1 4,-0.2 -0.059 63.2 94.4 127.6 -36.8 75.8 45.7 -20.9 19 24 A V G X S+ 0 0 1 -3,-0.8 3,-1.4 1,-0.3 -9,-0.2 0.697 76.8 70.6 -62.7 -18.1 75.1 46.7 -17.3 20 25 A E G 3 S+ 0 0 56 1,-0.3 4,-0.4 -11,-0.2 -1,-0.3 0.794 92.3 58.7 -67.0 -26.0 73.4 49.8 -18.6 21 26 A K G <> S+ 0 0 104 -3,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.517 81.0 95.6 -78.7 -5.2 70.7 47.5 -19.9 22 27 A G H <> S+ 0 0 0 -3,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.912 80.2 48.1 -51.1 -55.2 70.1 46.4 -16.3 23 28 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.907 111.6 50.9 -55.6 -44.4 67.2 48.8 -15.5 24 29 A A H > S+ 0 0 56 -4,-0.4 4,-3.0 1,-0.2 -2,-0.2 0.923 109.0 50.5 -60.7 -46.2 65.3 47.9 -18.7 25 30 A A H X S+ 0 0 21 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.892 112.2 47.7 -59.7 -40.2 65.6 44.1 -18.0 26 31 A L H <>S+ 0 0 0 -4,-2.0 5,-1.8 -5,-0.2 -2,-0.2 0.895 114.4 44.9 -69.3 -40.6 64.3 44.6 -14.5 27 32 A R H ><5S+ 0 0 46 -4,-2.5 3,-2.1 1,-0.2 6,-0.2 0.897 108.8 58.1 -69.0 -39.2 61.4 46.8 -15.6 28 33 A K H 3<5S+ 0 0 187 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.824 100.4 57.9 -57.8 -33.8 60.7 44.3 -18.5 29 34 A A T 3<5S- 0 0 33 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.433 125.0-103.4 -79.6 2.1 60.3 41.6 -15.9 30 35 A G T <>5 + 0 0 14 -3,-2.1 4,-3.0 3,-0.1 5,-0.3 0.651 69.2 149.1 87.9 15.2 57.5 43.6 -14.2 31 36 A L H > S+ 0 0 7 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.911 115.1 46.6 -60.3 -47.3 57.4 48.2 -11.0 33 38 A E H > S+ 0 0 110 -6,-0.2 4,-0.7 1,-0.2 3,-0.5 0.925 111.3 51.6 -61.9 -45.8 54.0 46.6 -11.4 34 39 A K H >< S+ 0 0 92 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.843 106.7 55.3 -61.6 -33.2 54.8 43.8 -8.8 35 40 A L H >< S+ 0 0 0 -4,-1.8 3,-1.6 -5,-0.3 5,-0.4 0.830 98.5 61.3 -68.8 -31.8 55.9 46.5 -6.3 36 41 A K H 3< S+ 0 0 124 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.705 93.6 65.1 -67.9 -18.6 52.5 48.2 -6.6 37 42 A E T << S+ 0 0 152 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.567 92.0 81.6 -79.1 -8.9 50.9 45.0 -5.3 38 43 A T S < S- 0 0 26 -3,-1.6 262,-0.1 -4,-0.2 -3,-0.0 -0.324 103.8 -94.3 -88.2 177.6 52.6 45.6 -2.0 39 44 A E S S+ 0 0 130 260,-0.3 2,-0.2 -2,-0.1 -3,-0.1 0.403 96.4 96.8 -73.3 3.8 51.5 47.9 0.8 40 45 A Y S S- 0 0 40 -5,-0.4 2,-0.5 259,-0.2 -2,-0.1 -0.598 76.1-122.5 -98.3 157.0 53.7 50.7 -0.6 41 46 A N E -a 2 0A 127 -40,-2.3 -38,-3.4 -2,-0.2 2,-0.4 -0.850 34.0-155.5 -93.9 125.5 53.0 53.6 -2.9 42 47 A V E +a 3 0A 25 -2,-0.5 2,-0.4 -40,-0.2 -38,-0.2 -0.903 18.8 178.4-113.8 133.0 55.3 53.4 -5.9 43 48 A R E -a 4 0A 145 -40,-2.5 -38,-1.9 -2,-0.4 2,-0.7 -0.992 18.9-147.6-130.1 123.0 56.5 56.1 -8.2 44 49 A D E -a 5 0A 61 -2,-0.4 -38,-0.1 -40,-0.2 3,-0.1 -0.823 7.8-169.2 -93.2 115.9 58.8 55.4 -11.1 45 50 A H E - 0 0 69 -40,-2.8 -39,-0.2 -2,-0.7 -1,-0.1 0.501 37.3-132.4 -81.3 -5.1 61.2 58.3 -11.8 46 51 A G E - 0 0 27 -41,-0.3 -39,-2.3 2,-0.0 2,-0.4 -0.317 40.3 -43.1 82.2-170.7 62.3 56.8 -15.0 47 52 A D E -a 7 0A 74 -41,-0.2 2,-0.2 -3,-0.1 -39,-0.2 -0.807 54.9-121.8-100.2 137.8 66.0 56.4 -16.1 48 53 A L - 0 0 14 -41,-2.3 2,-0.7 -2,-0.4 -2,-0.0 -0.499 20.6-134.0 -73.6 140.3 68.5 59.2 -15.7 49 54 A A - 0 0 84 -2,-0.2 2,-0.5 -41,-0.1 -1,-0.1 -0.876 20.8-150.0 -96.4 118.1 70.2 60.4 -18.9 50 55 A F - 0 0 41 -2,-0.7 2,-0.4 -41,-0.2 21,-0.1 -0.804 7.7-134.2 -95.9 126.2 73.9 60.6 -18.3 51 56 A V - 0 0 99 -2,-0.5 2,-0.5 19,-0.1 20,-0.1 -0.616 22.2-129.1 -76.8 126.4 75.9 63.2 -20.3 52 57 A D - 0 0 103 -2,-0.4 -1,-0.1 1,-0.1 15,-0.0 -0.652 13.6-134.1 -82.0 126.8 79.1 61.7 -21.7 53 58 A V > - 0 0 38 -2,-0.5 3,-0.6 11,-0.1 14,-0.2 -0.687 23.1-137.1 -81.6 108.6 82.2 63.7 -20.9 54 59 A P T 3 S+ 0 0 110 0, 0.0 3,-0.2 0, 0.0 -1,-0.0 -0.289 82.7 19.6 -65.6 149.2 84.3 64.0 -24.2 55 60 A N T 3 S+ 0 0 154 1,-0.2 2,-1.9 0, 0.0 -2,-0.0 0.893 75.2 175.9 59.4 43.4 88.0 63.5 -24.0 56 61 A D < - 0 0 22 -3,-0.6 8,-0.5 9,-0.0 -1,-0.2 -0.559 12.0-167.8 -81.6 79.8 87.8 61.7 -20.6 57 62 A S - 0 0 64 -2,-1.9 9,-0.2 -3,-0.2 2,-0.0 -0.413 28.2 -99.4 -69.1 144.0 91.5 60.8 -20.3 58 63 A P - 0 0 82 0, 0.0 2,-1.1 0, 0.0 5,-0.2 -0.342 24.9-128.7 -65.8 144.5 92.4 58.3 -17.6 59 64 A F B > S-H 62 0B 46 3,-2.2 3,-1.6 74,-0.1 2,-0.9 -0.793 71.3 -58.3 -95.1 95.1 93.7 59.7 -14.3 60 65 A Q T 3 S- 0 0 130 -2,-1.1 73,-0.1 1,-0.3 68,-0.1 -0.585 124.9 -17.2 67.2-103.5 96.9 57.6 -13.9 61 66 A I T 3 S+ 0 0 82 -2,-0.9 72,-0.3 66,-0.3 -1,-0.3 0.758 113.5 107.8 -98.1 -32.8 95.2 54.1 -14.0 62 67 A V B < -H 59 0B 0 -3,-1.6 -3,-2.2 65,-0.2 2,-0.2 -0.245 60.6-145.9 -53.8 119.0 91.7 55.2 -13.3 63 68 A K - 0 0 89 70,-1.3 72,-0.3 -5,-0.2 5,-0.1 -0.609 68.8 -3.4 -91.8 146.4 89.4 55.0 -16.3 64 69 A N S > S+ 0 0 55 -8,-0.5 4,-2.4 -2,-0.2 5,-0.3 0.788 74.2 162.9 44.4 42.4 86.6 57.3 -17.2 65 70 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.907 70.6 43.5 -54.5 -48.7 87.0 59.4 -14.0 66 71 A R H > S+ 0 0 78 -9,-0.2 4,-2.7 2,-0.2 5,-0.2 0.902 113.8 49.6 -66.2 -42.4 85.0 62.5 -15.2 67 72 A S H > S+ 0 0 2 2,-0.2 4,-2.2 -14,-0.2 -1,-0.2 0.911 116.5 42.8 -63.3 -42.8 82.1 60.5 -16.8 68 73 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.929 115.0 50.0 -69.5 -43.4 81.8 58.4 -13.7 69 74 A G H X S+ 0 0 0 -4,-2.8 4,-1.4 -5,-0.3 -2,-0.2 0.889 113.7 45.0 -62.2 -40.0 82.1 61.4 -11.4 70 75 A K H X S+ 0 0 75 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.917 110.6 51.9 -70.7 -45.1 79.5 63.4 -13.3 71 76 A A H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.873 113.1 47.8 -59.5 -35.5 77.0 60.6 -13.6 72 77 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.792 107.3 53.8 -76.8 -29.8 77.3 60.1 -9.8 73 78 A E H X S+ 0 0 71 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.927 111.5 47.0 -67.7 -44.8 77.0 63.9 -9.0 74 79 A Q H X S+ 0 0 52 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 112.6 48.8 -63.2 -43.5 73.7 63.9 -11.0 75 80 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.883 108.1 54.4 -64.8 -39.9 72.5 60.7 -9.2 76 81 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.880 106.9 51.7 -61.2 -38.2 73.3 62.1 -5.8 77 82 A A H X S+ 0 0 51 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.974 111.7 46.1 -62.4 -53.4 71.2 65.2 -6.6 78 83 A V H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.929 114.7 46.6 -55.1 -50.0 68.2 63.1 -7.6 79 84 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.883 110.2 52.4 -63.3 -39.3 68.5 60.8 -4.6 80 85 A A H X S+ 0 0 17 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.911 109.6 53.1 -60.4 -40.7 68.9 63.7 -2.1 81 86 A E H X S+ 0 0 103 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.955 111.8 40.9 -60.2 -55.2 65.7 65.1 -3.7 82 87 A T H <>S+ 0 0 5 -4,-2.3 5,-1.8 1,-0.2 -1,-0.2 0.899 114.4 53.5 -64.7 -37.8 63.5 62.0 -3.2 83 88 A Q H ><5S+ 0 0 3 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.870 103.2 58.2 -62.2 -36.9 64.9 61.4 0.3 84 89 A K H 3<5S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.882 101.2 54.4 -60.0 -40.7 64.1 64.9 1.2 85 90 A N T 3<5S- 0 0 116 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.374 122.6-108.4 -76.8 6.1 60.4 64.3 0.4 86 91 A G T < 5S+ 0 0 34 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.795 73.6 134.5 74.4 29.5 60.6 61.4 2.8 87 92 A T < - 0 0 16 -5,-1.8 2,-0.6 -86,-0.1 -1,-0.2 -0.730 59.6-109.3-109.0 160.4 60.4 58.6 0.2 88 93 A I E -b 3 0A 7 -86,-3.4 -84,-2.7 -2,-0.3 2,-0.3 -0.778 32.6-140.8 -89.2 122.0 62.5 55.4 -0.1 89 94 A S E -bc 4 267A 0 177,-1.2 179,-2.1 -2,-0.6 2,-0.5 -0.653 15.9-171.3 -87.0 138.0 64.9 55.5 -3.0 90 95 A V E -bc 5 268A 0 -86,-2.2 -84,-2.9 -2,-0.3 2,-0.5 -0.953 7.7-161.4-129.2 108.5 65.5 52.3 -5.0 91 96 A V E -bc 6 269A 0 177,-3.0 179,-2.6 -2,-0.5 2,-0.8 -0.808 5.6-151.7 -95.6 124.8 68.4 52.6 -7.5 92 97 A L E -bc 7 270A 0 -86,-2.4 -84,-2.9 -2,-0.5 179,-0.2 -0.861 31.4-126.7-101.5 118.2 68.5 50.1 -10.3 93 98 A G + 0 0 1 177,-2.7 2,-0.2 -2,-0.8 180,-0.2 -0.095 45.0 171.7 -81.7 165.1 71.8 49.5 -11.4 94 99 A G S S- 0 0 0 1,-0.5 178,-2.3 -86,-0.2 179,-0.3 0.026 86.3 -13.4-119.2-139.7 74.3 49.5 -14.1 95 100 A D S > S- 0 0 0 -85,-2.0 3,-1.8 -2,-0.2 -1,-0.5 -0.161 71.7-106.3 -75.9 161.9 77.6 49.0 -12.3 96 101 A H G > S+ 0 0 0 1,-0.3 3,-1.7 2,-0.2 4,-0.2 0.548 103.7 83.2 -62.3 -8.1 78.4 49.4 -8.6 97 102 A S G > S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.818 77.6 73.8 -65.6 -23.3 80.2 52.7 -8.9 98 103 A M G <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.3 -1,-0.3 0.582 75.1 79.5 -65.4 -7.6 76.7 54.3 -8.9 99 104 A A H <> S+ 0 0 0 -3,-1.7 4,-2.7 2,-0.2 5,-0.4 0.753 81.9 66.9 -70.4 -23.3 76.7 53.6 -5.1 100 105 A I H <> S+ 0 0 0 -3,-2.1 4,-2.1 -4,-0.2 -1,-0.2 0.979 109.5 33.4 -60.2 -55.1 78.8 56.7 -4.7 101 106 A G H > S+ 0 0 0 -4,-0.4 4,-2.8 2,-0.2 5,-0.3 0.907 118.4 53.9 -67.2 -42.7 76.0 59.0 -5.8 102 107 A S H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.924 116.2 36.7 -58.1 -49.3 73.3 56.8 -4.3 103 108 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.856 115.8 54.8 -74.0 -35.3 74.8 56.8 -0.8 104 109 A S H X S+ 0 0 8 -4,-2.1 4,-1.2 -5,-0.4 -2,-0.2 0.942 111.5 43.5 -62.6 -50.0 76.1 60.4 -1.0 105 110 A G H X S+ 0 0 0 -4,-2.8 4,-0.9 1,-0.2 3,-0.5 0.909 114.1 51.5 -62.4 -42.3 72.7 61.8 -1.9 106 111 A H H >X S+ 0 0 0 -4,-1.7 4,-2.4 -5,-0.3 3,-0.8 0.928 107.7 52.6 -60.7 -44.4 71.1 59.6 0.8 107 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.737 95.9 67.8 -65.3 -23.9 73.5 60.8 3.4 108 113 A R H 3< S+ 0 0 133 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.878 114.5 29.4 -63.1 -35.3 72.8 64.4 2.7 109 114 A V H << S+ 0 0 47 -4,-0.9 -2,-0.2 -3,-0.8 -1,-0.2 0.787 133.9 32.6 -92.3 -35.9 69.3 63.9 4.2 110 115 A H >< + 0 0 55 -4,-2.4 3,-1.7 -5,-0.2 -1,-0.2 -0.688 65.3 170.7-125.3 78.2 70.1 61.1 6.6 111 116 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.736 75.8 59.1 -59.3 -24.6 73.7 61.8 7.8 112 117 A D T 3 S+ 0 0 80 -3,-0.1 -5,-0.1 52,-0.1 52,-0.0 0.281 79.2 133.1 -92.5 14.9 73.4 59.1 10.5 113 118 A L < - 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0 0 22 -2,-0.3 3,-2.2 -21,-0.2 4,-0.2 -0.566 38.0 -96.0-101.3 169.8 82.9 56.1 8.7 166 171 A A G > S+ 0 0 2 1,-0.3 3,-0.9 -2,-0.2 25,-0.5 0.742 121.4 63.1 -55.1 -27.4 84.3 52.6 9.1 167 172 A K G 3 S+ 0 0 117 1,-0.2 -1,-0.3 23,-0.1 22,-0.0 0.618 96.5 58.8 -73.9 -15.0 81.9 52.1 12.0 168 173 A D G < S+ 0 0 32 -3,-2.2 -53,-3.4 -54,-0.1 2,-0.4 0.303 92.1 76.0-101.7 9.9 78.8 52.5 9.8 169 174 A I E < -e 115 0A 3 -3,-0.9 22,-0.6 -55,-0.2 2,-0.4 -0.957 49.3-173.8-127.5 143.1 79.4 49.8 7.2 170 175 A V E -ef 116 191A 0 -55,-2.2 -53,-2.8 -2,-0.4 2,-0.3 -0.994 12.8-151.3-133.3 126.5 78.9 46.0 7.3 171 176 A Y E -ef 117 192A 0 20,-1.6 22,-1.7 -2,-0.4 2,-0.4 -0.735 11.7-173.1 -95.5 146.0 79.9 43.7 4.5 172 177 A I E +ef 118 193A 0 -55,-2.4 -53,-1.8 -2,-0.3 22,-0.2 -0.983 63.8 22.1-141.7 126.9 78.2 40.4 3.8 173 178 A G E S+ 0 0 0 20,-2.3 21,-0.2 -2,-0.4 22,-0.2 0.448 71.8 168.3 101.8 3.1 79.2 37.7 1.3 174 179 A L E + f 0 194A 0 19,-0.7 21,-2.6 1,-0.1 22,-0.3 -0.204 17.8 135.3 -54.0 135.3 82.9 38.5 0.8 175 180 A R + 0 0 19 -55,-2.5 2,-0.2 19,-0.2 -54,-0.2 0.298 63.4 55.9-161.5 1.1 85.0 35.9 -1.0 176 181 A D + 0 0 66 -56,-2.0 2,-0.5 758,-0.1 -54,-0.4 -0.625 63.7 156.9-144.2 79.0 87.1 37.8 -3.6 177 182 A V - 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0 0 6 -5,-1.7 2,-0.2 -6,-0.2 -1,-0.2 -0.530 29.8-120.6 -73.5 130.1 85.6 47.3 9.3 191 196 A K E +f 170 0A 66 -22,-0.6 -20,-1.6 -25,-0.5 2,-0.3 -0.504 44.4 163.6 -71.3 133.9 83.0 44.8 10.4 192 197 A Y E -f 171 0A 33 -2,-0.2 2,-0.4 -22,-0.2 -20,-0.2 -0.990 36.4-152.1-151.7 156.9 82.5 42.0 7.8 193 198 A F E -f 172 0A 4 -22,-1.7 -20,-2.3 -2,-0.3 -19,-0.7 -0.895 23.3-170.4-130.3 96.9 81.0 38.5 7.3 194 199 A S E >> -f 174 0A 0 -2,-0.4 4,-1.9 -21,-0.2 3,-0.9 -0.301 48.1 -88.1 -77.9 173.7 82.9 36.7 4.6 195 200 A M H 3> S+ 0 0 0 -21,-2.6 4,-2.5 1,-0.3 5,-0.2 0.836 129.8 61.4 -54.9 -29.9 81.5 33.5 3.3 196 201 A T H 3> S+ 0 0 16 -22,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.904 104.9 45.5 -67.2 -34.5 83.6 31.8 6.0 197 202 A E H <> S+ 0 0 42 -3,-0.9 4,-3.0 2,-0.2 5,-0.4 0.855 112.9 51.5 -71.8 -34.9 81.6 33.6 8.8 198 203 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.895 111.7 47.2 -65.3 -40.4 78.4 32.8 7.0 199 204 A D H < S+ 0 0 18 -4,-2.5 635,-0.6 -5,-0.2 -2,-0.2 0.917 117.0 43.4 -65.8 -44.5 79.4 29.2 6.9 200 205 A K H < S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.932 127.4 26.4 -66.5 -48.8 80.4 29.2 10.6 201 206 A L H X S- 0 0 56 -4,-3.0 4,-0.6 -5,-0.1 -3,-0.2 0.730 100.6-123.0 -91.2 -27.5 77.4 31.1 12.0 202 207 A G H X - 0 0 31 -4,-2.2 4,-1.9 -5,-0.4 3,-0.5 0.220 33.5 -88.5 88.8 141.5 74.6 30.5 9.6 203 208 A I H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.815 124.2 63.0 -56.8 -31.4 72.8 33.4 7.9 204 209 A G H > S+ 0 0 6 310,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.944 108.5 38.7 -59.8 -48.6 70.4 33.8 10.9 205 210 A K H X S+ 0 0 89 -4,-0.6 4,-2.4 -3,-0.5 -1,-0.2 0.826 110.3 62.0 -72.1 -31.3 73.1 34.6 13.4 206 211 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.937 107.0 44.0 -59.7 -45.7 74.9 36.8 10.8 207 212 A M H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.860 109.5 56.9 -67.8 -35.3 71.9 39.1 10.6 208 213 A E H X S+ 0 0 95 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.945 111.9 42.7 -58.0 -49.7 71.5 39.1 14.3 209 214 A E H X S+ 0 0 54 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.837 109.3 54.2 -70.6 -35.0 75.0 40.4 14.8 210 215 A T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 5,-0.3 0.879 112.2 47.3 -69.2 -31.6 75.0 42.9 12.0 211 216 A F H X S+ 0 0 31 -4,-1.9 4,-3.0 2,-0.2 5,-0.4 0.921 111.6 47.7 -73.1 -41.8 71.9 44.5 13.5 212 217 A S H X S+ 0 0 77 -4,-2.2 4,-0.6 3,-0.2 -1,-0.2 0.821 115.3 49.0 -68.5 -25.8 73.3 44.6 17.1 213 218 A Y H < S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.898 123.1 28.2 -77.5 -43.5 76.5 46.1 15.6 214 219 A L H < S+ 0 0 7 -4,-2.2 4,-0.3 -5,-0.2 -2,-0.2 0.798 136.2 26.2 -89.7 -30.0 74.8 48.8 13.5 215 220 A L H < S+ 0 0 12 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.408 88.0 102.4-114.3 0.4 71.7 49.4 15.5 216 221 A G S < S+ 0 0 49 -4,-0.6 -3,-0.1 -5,-0.4 3,-0.1 0.862 97.2 24.0 -51.5 -44.1 72.6 48.4 19.1 217 222 A R S S+ 0 0 230 1,-0.3 2,-0.4 -4,-0.2 -1,-0.1 0.924 133.7 14.8 -88.9 -56.6 73.1 52.0 20.3 218 223 A K - 0 0 150 -4,-0.3 2,-0.5 2,-0.0 -1,-0.3 -0.951 68.9-129.5-125.6 141.5 70.9 54.1 18.0 219 224 A K + 0 0 141 -2,-0.4 -4,-0.1 -3,-0.1 -3,-0.0 -0.767 44.3 165.3 -84.7 131.0 68.2 53.1 15.5 220 225 A R - 0 0 30 -2,-0.5 -107,-0.1 -110,-0.0 -106,-0.1 -0.941 41.9 -74.1-144.5 164.6 69.1 54.8 12.2 221 226 A P - 0 0 23 0, 0.0 -107,-2.3 0, 0.0 2,-0.4 -0.289 46.4-139.3 -59.3 144.2 68.2 54.7 8.5 222 227 A I E -dg 114 265A 2 42,-2.6 44,-3.0 -109,-0.2 45,-1.7 -0.901 11.7-163.2-110.7 135.2 69.6 51.7 6.7 223 228 A H E -dg 115 267A 0 -109,-2.6 -107,-2.5 -2,-0.4 2,-0.7 -0.977 8.7-162.1-114.9 120.0 71.0 51.8 3.1 224 229 A L E -dg 116 268A 0 43,-3.0 45,-2.3 -2,-0.5 2,-0.7 -0.911 4.4-170.2-106.8 112.9 71.2 48.4 1.5 225 230 A S E -dg 117 269A 0 -109,-1.9 -107,-2.3 -2,-0.7 2,-0.7 -0.915 11.4-165.9-102.9 112.8 73.6 48.3 -1.4 226 231 A F E -dg 118 270A 3 43,-2.2 45,-2.7 -2,-0.7 2,-0.6 -0.862 12.4-166.8-109.9 108.8 73.1 44.9 -3.1 227 232 A D E > - g 0 271A 1 -109,-3.0 3,-2.2 -2,-0.7 4,-0.3 -0.802 20.3-142.0 -89.1 121.9 75.6 43.7 -5.7 228 233 A V G > S+ 0 0 2 43,-2.3 3,-1.4 -2,-0.6 -1,-0.1 0.746 96.5 69.6 -58.1 -23.4 73.9 40.7 -7.4 229 234 A D G 3 S+ 0 0 5 1,-0.3 14,-0.4 42,-0.2 -1,-0.3 0.456 76.3 85.2 -75.6 3.9 77.3 38.8 -7.6 230 235 A G G < S+ 0 0 0 -3,-2.2 17,-1.9 -112,-0.3 -1,-0.3 0.844 84.2 67.7 -69.3 -31.4 77.0 38.5 -3.8 231 236 A L B < S-j 247 0D 2 -3,-1.4 12,-0.3 -4,-0.3 17,-0.2 -0.550 107.4 -84.5 -86.0 156.1 74.9 35.4 -4.6 232 237 A D >> - 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