==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-AUG-04 1X7D . COMPND 2 MOLECULE: ORNITHINE CYCLODEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR S.ALAM,J.L.GOODMAN,S.WANG,F.J.RUZICKA,P.A.FREY,J.E.WEDEKIND . 681 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23388.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 0.9 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 . 57 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 6 0 2 0 0 0 6 0 0 0 0 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 PARALLEL BRIDGES PER LADDER . 4 2 0 2 2 0 0 2 2 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 . 2 0 0 0 0 0 4 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 2 A T 0 0 10 0, 0.0 318,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.4 11.1 51.7 11.1 2 3 A Y E -aB 100 318A 121 97,-2.5 99,-2.7 316,-0.2 2,-0.4 -0.838 360.0-150.0-107.4 147.6 14.2 53.9 10.6 3 4 A F E -aB 101 317A 13 314,-2.8 314,-2.5 -2,-0.4 2,-0.6 -0.960 9.8-167.5-121.7 130.2 17.5 52.6 9.5 4 5 A I E -a 102 0A 3 97,-2.1 99,-2.2 -2,-0.4 2,-0.1 -0.959 20.3-167.2-114.8 108.3 21.0 54.0 10.4 5 6 A D > - 0 0 28 -2,-0.6 4,-2.6 97,-0.2 5,-0.2 -0.209 37.4 -86.6 -87.3-177.0 23.6 52.3 8.2 6 7 A V H > S+ 0 0 8 655,-2.4 4,-2.3 1,-0.2 5,-0.1 0.930 125.1 44.5 -59.0 -51.3 27.4 52.4 8.5 7 8 A P H > S+ 0 0 23 0, 0.0 4,-2.0 0, 0.0 673,-0.4 0.870 114.5 50.5 -64.9 -31.8 28.1 55.6 6.6 8 9 A T H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 110.8 48.3 -69.9 -41.6 25.3 57.4 8.4 9 10 A X H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.888 108.8 56.0 -63.8 -37.1 26.6 56.2 11.8 10 11 A S H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.2 669,-0.3 0.930 109.3 44.9 -60.4 -45.7 30.0 57.4 10.7 11 12 A D H X S+ 0 0 46 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.901 113.9 50.8 -65.1 -40.5 28.7 60.9 10.0 12 13 A L H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 5,-0.2 0.936 112.0 45.1 -62.5 -49.1 26.7 60.9 13.3 13 14 A V H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 -1,-0.2 0.889 111.6 54.2 -63.3 -38.6 29.8 59.8 15.4 14 15 A H H < S+ 0 0 111 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.891 109.6 47.3 -63.3 -38.0 31.9 62.4 13.6 15 16 A D H < S+ 0 0 106 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 118.0 40.5 -72.6 -34.4 29.5 65.2 14.4 16 17 A I H < S- 0 0 20 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.869 111.7-125.1 -79.9 -38.4 29.2 64.2 18.1 17 18 A G X - 0 0 22 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.231 13.2-105.1 98.3 135.6 32.9 63.4 18.5 18 19 A V H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 118.8 45.9 -59.7 -49.0 34.3 60.1 19.7 19 20 A A H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.945 116.1 44.7 -61.3 -49.2 35.3 61.4 23.1 20 21 A P H > S+ 0 0 60 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.907 111.9 53.7 -62.2 -38.8 32.0 63.2 23.7 21 22 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.954 111.8 45.0 -58.3 -50.6 30.0 60.2 22.4 22 23 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.904 114.2 49.7 -61.0 -42.8 31.8 57.9 24.9 23 24 A G H X S+ 0 0 20 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.930 113.7 43.1 -63.5 -47.5 31.4 60.4 27.7 24 25 A E H X S+ 0 0 96 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.881 114.8 51.3 -66.8 -37.2 27.6 60.9 27.2 25 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 -2,-0.2 0.895 106.0 54.5 -66.9 -40.0 27.1 57.2 26.7 26 27 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.899 109.0 49.1 -60.4 -40.0 29.0 56.4 29.9 27 28 A A H X S+ 0 0 43 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.917 112.9 46.7 -65.2 -43.0 26.6 58.7 31.8 28 29 A A H X S+ 0 0 29 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.869 111.1 52.4 -66.7 -37.2 23.6 57.0 30.1 29 30 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.896 105.6 54.6 -65.4 -40.7 25.0 53.6 30.9 30 31 A R H X S+ 0 0 72 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.910 108.2 49.3 -60.1 -41.8 25.4 54.5 34.6 31 32 A D H X S+ 0 0 101 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.916 113.3 45.8 -64.7 -43.0 21.7 55.5 34.7 32 33 A D H < S+ 0 0 11 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.901 110.6 52.5 -68.3 -39.2 20.6 52.2 33.1 33 34 A F H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.857 104.1 58.9 -64.1 -32.4 22.9 50.1 35.3 34 35 A K H 3< S+ 0 0 72 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.836 106.5 46.6 -66.1 -31.0 21.4 51.8 38.4 35 36 A R T >< S+ 0 0 88 -4,-1.1 3,-2.4 -3,-0.5 4,-0.3 -0.064 75.2 135.2-100.8 34.8 17.9 50.6 37.4 36 37 A W G X + 0 0 13 -3,-1.4 3,-1.6 1,-0.3 -1,-0.2 0.833 64.9 59.6 -46.4 -43.5 19.3 47.1 36.8 37 38 A Q G 3 S+ 0 0 149 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.595 93.9 66.9 -67.8 -11.1 16.4 45.5 38.6 38 39 A A G < S+ 0 0 42 -3,-2.4 2,-0.3 -6,-0.2 -1,-0.3 0.546 87.1 87.9 -86.6 -9.0 14.0 47.1 36.1 39 40 A F S < S- 0 0 10 -3,-1.6 2,-1.2 -4,-0.3 22,-0.2 -0.708 76.6-130.2 -99.8 144.8 15.2 45.0 33.2 40 41 A D B -C 60 0A 77 20,-3.4 20,-0.9 -2,-0.3 2,-0.3 -0.797 45.0-167.4 -87.0 99.1 14.2 41.5 32.0 41 42 A K + 0 0 45 -2,-1.2 2,-0.3 18,-0.2 18,-0.1 -0.675 18.5 166.1 -98.8 148.8 17.7 40.1 31.8 42 43 A S - 0 0 33 16,-0.4 2,-0.3 -2,-0.3 254,-0.3 -0.984 41.9 -98.8-153.7 155.1 19.0 37.0 30.2 43 44 A A - 0 0 40 -2,-0.3 252,-0.1 1,-0.1 206,-0.0 -0.608 53.9-102.9 -75.6 136.9 22.3 35.4 29.2 44 45 A R - 0 0 15 -2,-0.3 2,-0.6 1,-0.1 13,-0.2 -0.187 32.0-117.8 -59.4 153.4 22.9 36.0 25.5 45 46 A V E -D 56 0A 36 11,-1.9 11,-2.1 -3,-0.1 2,-0.4 -0.852 33.3-164.8 -98.7 125.0 22.4 33.0 23.2 46 47 A A E -D 55 0A 34 -2,-0.6 2,-0.6 9,-0.2 9,-0.2 -0.872 19.3-159.2-117.4 144.3 25.5 31.9 21.3 47 48 A S E -D 54 0A 17 7,-2.6 7,-1.9 -2,-0.4 2,-0.3 -0.960 24.4-154.6-117.5 108.0 26.0 29.6 18.3 48 49 A H E +D 53 0A 88 -2,-0.6 2,-0.2 5,-0.2 5,-0.2 -0.610 16.5 175.1 -89.9 144.9 29.6 28.4 18.3 49 50 A S - 0 0 28 3,-2.6 354,-0.0 -2,-0.3 386,-0.0 -0.764 47.9 -92.7-132.6 178.1 31.7 27.3 15.3 50 51 A E S S+ 0 0 137 -2,-0.2 3,-0.1 1,-0.2 385,-0.1 0.830 123.2 29.0 -67.0 -31.0 35.3 26.2 14.9 51 52 A V S S- 0 0 52 383,-0.1 24,-0.5 1,-0.0 2,-0.3 0.512 128.5 -25.4-108.4 -5.9 36.5 29.7 14.0 52 53 A G - 0 0 0 21,-0.2 -3,-2.6 22,-0.1 2,-0.3 -0.900 57.8 -98.6-172.5-158.2 34.1 32.0 15.8 53 54 A V E -DE 48 72A 0 19,-0.8 19,-2.1 -2,-0.3 2,-0.4 -0.991 11.1-154.1-150.6 150.6 30.7 32.6 17.4 54 55 A I E -DE 47 71A 2 -7,-1.9 -7,-2.6 -2,-0.3 2,-0.3 -1.000 25.2-176.9-127.5 126.4 27.5 34.4 16.5 55 56 A E E -DE 46 70A 0 15,-3.2 15,-2.2 -2,-0.4 2,-0.5 -0.910 24.7-147.3-130.1 155.6 25.3 35.7 19.3 56 57 A L E -DE 45 69A 3 -11,-2.1 -11,-1.9 -2,-0.3 13,-0.2 -0.984 15.5-165.1-118.8 128.0 22.0 37.4 19.9 57 58 A X E + E 0 68A 1 11,-2.7 11,-0.8 -2,-0.5 2,-0.2 -0.787 14.5 173.9-120.7 88.9 21.9 39.8 22.9 58 59 A P E + E 0 67A 1 0, 0.0 -16,-0.4 0, 0.0 2,-0.3 -0.567 7.2 158.3 -95.4 158.2 18.3 40.8 24.0 59 60 A V E - E 0 66A 0 7,-2.0 7,-2.7 -2,-0.2 2,-0.3 -0.931 10.8-177.3-167.1 152.3 17.1 42.8 27.0 60 61 A A E -CE 40 65A 6 -20,-0.9 -20,-3.4 -2,-0.3 5,-0.2 -0.996 13.2-164.7-157.2 154.0 14.0 44.8 27.7 61 62 A D - 0 0 12 3,-2.4 -22,-0.1 -2,-0.3 -2,-0.0 -0.486 57.4 -72.6-120.9-164.4 12.3 47.0 30.3 62 63 A K S S+ 0 0 154 -24,-0.3 329,-0.1 -2,-0.2 3,-0.1 0.714 129.1 24.3 -67.9 -18.5 8.6 47.9 30.5 63 64 A S S S+ 0 0 55 1,-0.2 30,-2.3 30,-0.1 2,-0.4 0.763 118.4 43.5-114.9 -37.8 8.7 50.2 27.5 64 65 A R E - F 0 92A 62 28,-0.2 -3,-2.4 29,-0.1 2,-0.4 -0.907 51.8-163.5-122.2 145.3 11.6 49.3 25.2 65 66 A Y E +EF 60 91A 1 26,-2.5 26,-3.6 -2,-0.4 2,-0.3 -0.956 17.6 176.1-120.4 139.5 13.0 46.0 23.8 66 67 A A E +EF 59 90A 2 -7,-2.7 -7,-2.0 -2,-0.4 2,-0.3 -0.988 7.3 173.4-143.6 152.3 16.5 45.8 22.3 67 68 A F E -EF 58 89A 2 22,-1.6 22,-2.0 -2,-0.3 2,-0.4 -0.986 14.6-150.3-155.7 152.7 18.7 43.2 20.9 68 69 A K E -EF 57 88A 0 -11,-0.8 -11,-2.7 -2,-0.3 2,-0.5 -0.989 6.0-151.1-129.2 137.5 22.1 43.0 19.1 69 70 A Y E +EF 56 87A 0 18,-3.1 18,-1.8 -2,-0.4 2,-0.3 -0.905 32.8 164.5 -99.8 131.6 23.3 40.5 16.6 70 71 A V E -EF 55 86A 0 -15,-2.2 -15,-3.2 -2,-0.5 2,-0.3 -0.993 23.1-159.0-153.5 144.5 27.1 40.2 16.8 71 72 A N E -EF 54 85A 0 14,-1.9 14,-0.8 -2,-0.3 2,-0.3 -0.842 4.4-158.3-119.4 160.6 29.9 37.8 15.7 72 73 A G E +EF 53 84A 1 -19,-2.1 -19,-0.8 -2,-0.3 12,-0.2 -0.836 21.8 160.2-142.7 98.8 33.4 37.3 17.0 73 74 A H > - 0 0 0 10,-2.3 3,-2.1 -2,-0.3 4,-0.3 -0.861 19.1-169.1-125.1 94.0 35.8 35.7 14.5 74 75 A P G > S+ 0 0 23 0, 0.0 3,-0.6 0, 0.0 4,-0.2 0.770 87.3 55.7 -51.9 -31.2 39.5 36.3 15.4 75 76 A A G > S+ 0 0 59 -24,-0.5 3,-1.3 1,-0.2 4,-0.3 0.557 81.3 91.1 -82.6 -6.8 40.7 35.0 12.0 76 77 A N G X >S+ 0 0 2 -3,-2.1 5,-2.4 1,-0.3 3,-2.2 0.841 74.8 64.7 -56.4 -37.4 38.5 37.4 10.0 77 78 A T G X 5S+ 0 0 36 -3,-0.6 3,-1.5 -4,-0.3 -1,-0.3 0.778 92.5 62.6 -60.2 -25.4 41.3 40.0 9.8 78 79 A A G < 5S+ 0 0 88 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.652 107.1 45.3 -72.8 -13.5 43.4 37.6 7.7 79 80 A R G < 5S- 0 0 128 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.089 124.7-105.5-112.4 16.5 40.6 37.9 5.2 80 81 A N T < 5S+ 0 0 64 -3,-1.5 587,-2.1 1,-0.2 2,-0.3 0.754 83.6 124.9 62.6 27.6 40.3 41.6 5.5 81 82 A L < - 0 0 6 -5,-2.4 -1,-0.2 585,-0.2 -2,-0.2 -0.826 68.3-100.4-113.1 153.8 37.1 41.3 7.5 82 83 A H - 0 0 1 -2,-0.3 -9,-0.2 583,-0.3 589,-0.1 -0.502 18.2-138.0 -73.8 141.6 36.4 42.8 10.9 83 84 A T S S+ 0 0 26 587,-0.3 -10,-2.3 1,-0.2 2,-0.5 0.913 95.2 41.8 -62.2 -41.9 36.7 40.4 13.9 84 85 A V E +F 72 0A 26 -12,-0.2 2,-0.4 -10,-0.1 -1,-0.2 -0.931 66.0 166.7-114.5 126.1 33.6 42.0 15.3 85 86 A X E +F 71 0A 0 -14,-0.8 -14,-1.9 -2,-0.5 2,-0.3 -0.992 12.9 163.7-133.2 140.3 30.5 42.9 13.2 86 87 A A E +F 70 0A 0 -2,-0.4 18,-2.8 -16,-0.2 19,-0.8 -0.995 18.6 175.9-157.1 159.9 27.1 43.8 14.7 87 88 A F E -FG 69 103A 2 -18,-1.8 -18,-3.1 -2,-0.3 2,-0.3 -0.957 16.5-176.3-156.7 158.9 23.7 45.4 14.2 88 89 A G E -FG 68 102A 0 14,-2.6 14,-2.8 -2,-0.3 2,-0.3 -0.950 17.9-125.9-156.1 177.6 20.7 45.8 16.3 89 90 A V E -FG 67 101A 0 -22,-2.0 -22,-1.6 -2,-0.3 2,-0.5 -0.977 3.3-157.2-136.0 143.0 17.1 46.9 16.9 90 91 A L E -FG 66 100A 9 10,-2.1 10,-2.0 -2,-0.3 9,-1.6 -0.987 29.1-177.8-116.4 124.6 15.2 49.0 19.4 91 92 A A E -FG 65 98A 2 -26,-3.6 -26,-2.5 -2,-0.5 2,-0.5 -0.866 32.2-105.5-128.7 161.0 11.5 48.1 19.6 92 93 A D E >> -F 64 0A 59 5,-2.7 4,-2.8 -2,-0.3 3,-0.8 -0.711 24.9-152.0 -83.8 122.0 8.2 49.2 21.3 93 94 A V T 34 S+ 0 0 8 -30,-2.3 -1,-0.1 -2,-0.5 -29,-0.1 0.881 89.6 53.5 -63.9 -41.6 7.2 46.7 24.0 94 95 A D T 34 S+ 0 0 79 -31,-0.4 -1,-0.2 1,-0.2 -30,-0.1 0.571 127.1 19.6 -75.1 -6.2 3.5 47.2 23.9 95 96 A S T <4 S- 0 0 4 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.530 92.5-127.5-131.9 -22.4 3.2 46.6 20.1 96 97 A G < + 0 0 0 -4,-2.8 -3,-0.1 1,-0.3 -2,-0.1 0.454 55.3 153.2 83.1 1.1 6.4 44.7 19.2 97 98 A Y - 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0 0 3 24,-2.9 25,-0.2 -2,-0.7 66,-0.1 0.406 64.2-159.7 102.4 114.1 45.9 44.4 21.5 136 137 A N + 0 0 0 26,-0.1 33,-0.2 22,-0.1 32,-0.1 -0.169 51.0 110.5-120.8 39.7 45.9 47.4 19.2 137 138 A G S > S- 0 0 15 63,-0.4 4,-0.6 3,-0.1 3,-0.4 0.255 86.6 -40.3 -90.0-145.4 43.0 46.4 16.8 138 139 A A T 4 S+ 0 0 23 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.843 135.6 43.8 -52.9 -44.0 39.5 47.7 16.2 139 140 A Q T >> S+ 0 0 30 61,-0.2 4,-2.1 1,-0.2 3,-0.5 0.795 95.6 81.9 -74.7 -28.2 38.6 48.4 19.9 140 141 A S H 3> S+ 0 0 0 -3,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.811 86.5 49.2 -49.1 -49.9 42.0 50.0 20.8 141 142 A E H 3X S+ 0 0 0 -4,-0.6 4,-2.5 -3,-0.3 -1,-0.2 0.886 113.8 48.3 -60.7 -38.9 41.5 53.6 19.6 142 143 A F H <> S+ 0 0 1 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.912 113.3 46.1 -67.5 -44.3 38.2 53.8 21.4 143 144 A Q H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.941 112.5 52.9 -63.0 -46.0 39.5 52.4 24.6 144 145 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.935 112.4 42.7 -55.3 -51.8 42.5 54.7 24.4 145 146 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.4 0.866 108.8 58.3 -66.0 -37.1 40.4 57.9 23.9 146 147 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 5,-0.2 0.941 114.1 38.3 -57.4 -47.6 37.9 56.9 26.6 147 148 A F H X S+ 0 0 0 -4,-2.1 6,-2.1 3,-0.2 4,-1.4 0.855 118.3 48.5 -73.0 -36.4 40.7 56.7 29.2 148 149 A H H < S+ 0 0 28 -4,-2.3 4,-0.4 -5,-0.2 -2,-0.2 0.954 119.8 34.9 -69.3 -49.7 42.6 59.7 27.9 149 150 A K H < S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.748 133.4 24.2 -79.0 -24.6 39.8 62.1 27.7 150 151 A H H < S+ 0 0 67 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.2 0.544 126.0 38.8-120.4 -8.1 37.7 61.0 30.7 151 152 A L S < S- 0 0 37 -4,-1.4 -3,-0.1 -5,-0.2 -2,-0.1 0.132 102.4-110.9-129.3 21.2 40.1 59.3 33.1 152 153 A G + 0 0 46 -4,-0.4 2,-0.6 1,-0.2 -4,-0.2 0.690 55.2 161.8 60.6 23.2 43.2 61.4 32.9 153 154 A I + 0 0 1 -6,-2.1 -1,-0.2 1,-0.2 -23,-0.2 -0.665 8.7 170.9 -78.3 118.6 45.4 58.9 31.2 154 155 A E + 0 0 103 -25,-1.9 26,-2.5 -2,-0.6 2,-0.4 0.644 61.7 42.7-100.1 -20.8 48.3 60.8 29.7 155 156 A E E -hj 130 180B 48 -26,-1.8 -24,-2.5 24,-0.2 2,-0.4 -0.990 57.8-174.0-136.0 132.6 50.5 57.9 28.7 156 157 A I E -hj 131 181B 0 24,-3.1 26,-2.6 -2,-0.4 2,-0.6 -0.983 10.2-158.9-124.5 132.4 49.8 54.6 27.0 157 158 A V E -hj 132 182B 5 -26,-2.2 -24,-2.4 -2,-0.4 2,-0.3 -0.958 24.6-162.2-109.9 115.3 52.3 51.8 26.4 158 159 A A E +hj 133 183B 0 24,-3.1 26,-2.8 -2,-0.6 2,-0.3 -0.788 17.3 176.0-109.2 145.5 51.0 49.6 23.6 159 160 A Y E +h 134 0B 44 -26,-2.0 -24,-2.9 -2,-0.3 2,-0.3 -0.998 6.3 161.6-144.6 139.8 51.8 46.1 22.4 160 161 A D - 0 0 17 -2,-0.3 6,-0.1 24,-0.3 5,-0.0 -0.964 43.8-127.1-153.1 140.9 50.3 43.9 19.7 161 162 A T S S+ 0 0 121 -2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.778 105.0 68.6 -61.4 -24.0 51.8 40.9 18.1 162 163 A D S >> S- 0 0 47 1,-0.1 3,-1.2 -3,-0.0 4,-1.1 -0.856 73.4-162.6 -97.4 105.5 51.0 42.7 14.8 163 164 A P H 3> S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.772 87.8 60.9 -59.9 -27.1 53.4 45.7 14.7 164 165 A L H 3> S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.790 98.2 58.4 -71.4 -26.7 51.3 47.4 12.0 165 166 A A H <> S+ 0 0 1 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.932 107.4 45.8 -67.6 -44.5 48.3 47.5 14.4 166 167 A T H X S+ 0 0 2 -4,-1.1 4,-2.7 1,-0.2 5,-0.2 0.919 111.3 52.5 -63.8 -42.5 50.4 49.5 17.0 167 168 A A H X S+ 0 0 56 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.909 109.3 50.8 -59.1 -41.2 51.6 51.8 14.2 168 169 A K H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.927 110.0 49.2 -60.8 -47.6 47.9 52.3 13.2 169 170 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 -33,-0.2 -2,-0.2 0.940 112.8 46.6 -58.2 -50.9 46.9 53.1 16.8 170 171 A I H X S+ 0 0 37 -4,-2.7 4,-0.5 1,-0.2 3,-0.2 0.922 114.5 46.8 -59.5 -47.0 49.7 55.7 17.3 171 172 A A H >< S+ 0 0 72 -4,-2.5 3,-0.8 -5,-0.2 4,-0.3 0.890 109.1 55.5 -64.0 -40.3 49.1 57.4 13.9 172 173 A N H 3< S+ 0 0 15 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.834 117.1 33.9 -62.3 -34.4 45.3 57.5 14.6 173 174 A L H >< S+ 0 0 2 -4,-1.6 3,-1.9 -3,-0.2 -1,-0.2 0.280 82.1 105.6-108.1 11.7 45.6 59.4 17.9 174 175 A K T << S+ 0 0 136 -3,-0.8 -1,-0.2 -4,-0.5 5,-0.1 0.842 72.7 68.3 -58.2 -32.8 48.7 61.5 17.2 175 176 A E T 3 S+ 0 0 117 -4,-0.3 2,-1.5 -3,-0.3 -1,-0.3 0.674 80.1 81.8 -60.9 -20.2 46.4 64.5 16.9 176 177 A Y X - 0 0 53 -3,-1.9 3,-2.1 1,-0.2 -1,-0.2 -0.694 64.5-176.4 -89.8 85.2 45.6 64.2 20.6 177 178 A S T 3 S+ 0 0 119 -2,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.677 75.6 62.4 -57.1 -23.8 48.8 66.1 21.8 178 179 A G T 3 S+ 0 0 47 -3,-0.1 2,-0.5 1,-0.0 -1,-0.3 0.527 95.1 76.0 -81.9 -4.0 48.0 65.5 25.4 179 180 A L < - 0 0 14 -3,-2.1 2,-0.5 -6,-0.2 -24,-0.2 -0.930 63.1-162.9-114.4 127.0 48.3 61.8 24.9 180 181 A T E -j 155 0B 85 -26,-2.5 -24,-3.1 -2,-0.5 2,-0.5 -0.926 7.8-174.1-107.5 123.9 51.6 59.9 24.5 181 182 A I E -j 156 0B 14 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.972 6.0-177.6-121.9 118.5 51.4 56.4 23.0 182 183 A R E -j 157 0B 129 -26,-2.6 -24,-3.1 -2,-0.5 2,-0.4 -0.908 24.7-121.9-119.4 145.1 54.6 54.4 22.8 183 184 A R E -j 158 0B 82 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.673 24.3-164.5 -85.0 130.6 55.3 50.9 21.4 184 185 A A - 0 0 2 -26,-2.8 -24,-0.3 -2,-0.4 3,-0.1 -0.737 21.4-132.2-108.1 161.7 56.7 48.2 23.7 185 186 A S S S+ 0 0 88 -2,-0.3 2,-0.3 -26,-0.1 3,-0.1 0.430 82.7 14.4 -97.0 1.1 58.2 45.0 22.5 186 187 A S S > S- 0 0 44 1,-0.1 4,-2.2 -28,-0.1 5,-0.1 -0.977 74.8-109.3-163.8 163.8 56.4 42.6 24.9 187 188 A V H > S+ 0 0 23 -2,-0.3 4,-2.2 2,-0.2 5,-0.2 0.927 118.0 53.9 -65.9 -44.9 53.4 42.4 27.2 188 189 A A H > S+ 0 0 56 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.914 111.3 45.7 -55.4 -45.6 55.7 42.2 30.2 189 190 A E H 4 S+ 0 0 62 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.912 111.5 52.6 -64.6 -43.3 57.5 45.4 29.1 190 191 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.844 110.6 45.3 -63.0 -37.2 54.2 47.2 28.4 191 192 A V H >< S+ 0 0 2 -4,-2.2 3,-2.0 -5,-0.1 -1,-0.2 0.610 79.3 122.5 -85.8 -12.4 52.6 46.6 31.7 192 193 A K T 3< S- 0 0 145 -4,-0.9 23,-0.1 -3,-0.5 22,-0.0 -0.301 90.8 -8.8 -55.8 119.9 55.6 47.5 33.9 193 194 A G T 3 S+ 0 0 38 1,-0.2 -1,-0.3 -2,-0.1 2,-0.2 0.603 96.3 142.9 69.5 14.1 54.6 50.3 36.3 194 195 A V < - 0 0 3 -3,-2.0 -1,-0.2 1,-0.1 -63,-0.2 -0.507 48.4-145.8 -86.4 157.7 51.2 51.1 34.7 195 196 A D S S+ 0 0 28 -65,-2.4 25,-1.5 1,-0.3 2,-0.4 0.755 86.0 26.3 -88.9 -29.5 48.1 52.0 36.7 196 197 A I E -ik 131 220B 0 -66,-1.4 -64,-2.6 23,-0.2 2,-0.5 -0.997 63.6-157.5-137.8 139.4 45.7 50.3 34.4 197 198 A I E -ik 132 221B 0 23,-2.5 25,-3.1 -2,-0.4 2,-0.6 -0.977 10.0-169.9-117.7 118.3 46.0 47.4 32.0 198 199 A T E -ik 133 222B 0 -66,-3.0 -64,-2.7 -2,-0.5 2,-0.5 -0.945 3.4-167.4-108.6 123.7 43.5 47.2 29.2 199 200 A T E +ik 134 223B 2 23,-2.1 26,-2.1 -2,-0.6 25,-2.0 -0.958 21.9 157.1-114.5 121.5 43.6 43.9 27.3 200 201 A V + 0 0 17 -66,-3.2 -63,-0.4 -2,-0.5 -61,-0.2 -0.367 23.9 146.4-135.7 52.8 41.7 43.7 24.0 201 202 A T - 0 0 26 -66,-0.1 2,-0.5 -65,-0.1 -66,-0.1 -0.572 40.2-138.8 -89.7 156.2 43.4 40.9 22.2 202 203 A A + 0 0 54 -2,-0.2 2,-0.3 -128,-0.1 24,-0.1 -0.926 44.8 130.2-122.4 108.4 41.6 38.5 19.8 203 204 A D - 0 0 93 -2,-0.5 2,-2.2 22,-0.1 4,-0.1 -0.852 50.7-136.9-157.0 113.2 42.4 34.8 20.0 204 205 A K S S+ 0 0 56 -2,-0.3 2,-0.3 -153,-0.1 27,-0.1 -0.503 76.7 67.1 -75.7 79.5 39.8 32.1 20.3 205 206 A A S S- 0 0 40 -2,-2.2 27,-1.3 27,-0.1 2,-0.9 -0.967 97.7 -68.1-178.0 171.9 41.6 30.1 23.0 206 207 A Y E +o 232 0C 159 -2,-0.3 2,-0.3 25,-0.2 27,-0.1 -0.695 60.0 177.1 -79.9 105.9 42.9 30.0 26.6 207 208 A A E - 0 0 17 25,-1.9 2,-0.3 -2,-0.9 3,-0.2 -0.850 33.3-151.4-115.2 149.9 45.6 32.7 26.7 208 209 A T E + 0 0 81 -2,-0.3 26,-0.2 1,-0.2 25,-0.1 -0.535 35.8 152.3-113.5 60.8 47.7 33.9 29.5 209 210 A I E S+ 0 0 36 24,-1.2 2,-0.5 -2,-0.3 25,-0.2 0.938 75.0 37.9 -53.6 -47.4 48.3 37.4 28.2 210 211 A I E S-o 234 0C 0 23,-1.8 25,-2.3 -3,-0.2 28,-0.2 -0.924 77.3-170.4-111.3 127.2 48.6 38.6 31.8 211 212 A T > - 0 0 29 -2,-0.5 3,-2.1 23,-0.2 4,-0.4 -0.792 36.5-106.8-112.7 158.0 50.4 36.3 34.3 212 213 A P G > S+ 0 0 45 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.818 115.0 63.8 -50.3 -39.7 50.6 36.8 38.1 213 214 A D G 3 S+ 0 0 136 1,-0.3 -3,-0.0 3,-0.0 25,-0.0 0.633 96.4 60.1 -64.8 -12.5 54.2 37.9 38.1 214 215 A X G < S+ 0 0 31 -3,-2.1 -1,-0.3 2,-0.0 2,-0.1 0.649 82.4 108.3 -88.0 -17.5 53.2 40.9 36.1 215 216 A L < - 0 0 32 -3,-1.6 72,-0.0 -4,-0.4 -23,-0.0 -0.348 45.7-173.8 -68.1 139.9 50.9 42.2 38.8 216 217 A E > - 0 0 50 -22,-0.1 3,-1.6 -2,-0.1 -2,-0.0 -0.968 38.4 -88.6-129.7 143.4 51.8 45.3 40.9 217 218 A P T 3 S+ 0 0 104 0, 0.0 69,-0.2 0, 0.0 70,-0.1 -0.217 109.8 23.1 -53.8 138.1 49.9 46.6 43.9 218 219 A G T 3 S+ 0 0 1 67,-1.7 -93,-0.4 1,-0.3 68,-0.2 0.428 86.0 143.4 88.5 -1.1 47.1 49.0 43.0 219 220 A X < - 0 0 1 -3,-1.6 69,-2.3 66,-0.3 2,-0.5 -0.370 37.9-151.7 -74.6 152.2 46.5 48.0 39.4 220 221 A H E -kl 196 288B 0 -25,-1.5 -23,-2.5 67,-0.2 2,-0.6 -0.992 9.7-151.9-121.2 128.5 43.2 47.9 37.7 221 222 A L E -kl 197 289B 2 67,-3.0 69,-3.2 -2,-0.5 2,-1.1 -0.918 8.0-164.6-108.2 120.0 42.7 45.4 34.9 222 223 A N E -kl 198 290B 0 -25,-3.1 -23,-2.1 -2,-0.6 2,-1.1 -0.805 16.9-171.8 -99.7 84.5 40.2 46.3 32.2 223 224 A A E +kl 199 291B 1 67,-1.6 69,-1.6 -2,-1.1 34,-0.2 -0.710 25.7 144.1 -88.1 96.9 40.0 42.7 30.7 224 225 A V + 0 0 13 -25,-2.0 -24,-0.2 -2,-1.1 -1,-0.2 0.776 48.5 72.3-104.6 -33.4 37.9 43.1 27.6 225 226 A G S S+ 0 0 11 -26,-2.1 2,-0.3 2,-0.0 -22,-0.1 0.837 82.8 70.1 -56.3 -46.6 39.3 40.7 24.9 226 227 A G + 0 0 2 -27,-0.2 31,-0.2 1,-0.1 6,-0.2 -0.605 52.8 150.8 -75.8 133.1 38.1 37.4 26.3 227 228 A D + 0 0 14 -2,-0.3 29,-0.2 1,-0.2 -1,-0.1 0.211 48.5 39.5-154.8 27.7 34.3 37.0 26.0 228 229 A C B > S-P 231 0D 0 3,-0.9 3,-2.1 27,-0.6 -1,-0.2 -0.978 94.4 -58.9-165.5 167.1 33.2 33.4 25.6 229 230 A P T 3 S+ 0 0 57 0, 0.0 26,-0.1 0, 0.0 -2,-0.1 -0.306 123.0 13.1 -55.7 132.8 33.8 29.9 26.8 230 231 A G T 3 S+ 0 0 19 1,-0.1 2,-0.5 -25,-0.0 25,-0.1 0.537 105.8 101.7 78.5 7.3 37.4 28.8 26.1 231 232 A K B < +P 228 0D 10 -3,-2.1 -3,-0.9 24,-0.2 2,-0.3 -0.867 44.7 142.3-129.3 98.1 38.5 32.4 25.3 232 233 A T E -o 206 0C 3 -27,-1.3 -25,-1.9 -2,-0.5 -27,-0.1 -0.882 36.5-165.0-133.4 163.1 40.4 34.1 28.1 233 234 A E E + 0 0 2 -2,-0.3 -23,-1.8 -27,-0.1 -24,-1.2 0.565 68.7 73.8-120.5 -21.6 43.3 36.5 28.5 234 235 A L E S-o 210 0C 0 -26,-0.2 -23,-0.2 -25,-0.2 2,-0.1 -0.812 78.8-119.2-105.8 139.9 44.2 36.3 32.2 235 236 A H >> - 0 0 63 -25,-2.3 3,-2.2 -2,-0.4 4,-0.8 -0.476 33.8-118.4 -66.9 140.9 45.9 33.5 34.0 236 237 A A H >> S+ 0 0 16 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.836 112.7 61.0 -52.6 -35.3 43.5 32.2 36.7 237 238 A D H 3> S+ 0 0 66 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.656 91.9 66.4 -69.9 -13.1 45.9 33.2 39.5 238 239 A V H X4 S+ 0 0 0 -3,-2.2 3,-0.8 -28,-0.2 -1,-0.2 0.919 102.8 47.4 -69.8 -41.2 45.6 36.8 38.4 239 240 A L H X< S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.6 -2,-0.2 0.823 103.0 62.1 -67.6 -33.2 42.0 36.7 39.5 240 241 A R H 3< S+ 0 0 130 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.724 102.6 52.3 -66.6 -19.8 42.9 35.0 42.8 241 242 A N T << S+ 0 0 105 -3,-0.8 46,-0.4 -4,-0.6 2,-0.3 0.106 109.6 58.6-101.7 21.7 44.9 38.1 43.7 242 243 A A S < S- 0 0 23 -3,-1.6 2,-0.6 44,-0.1 46,-0.2 -0.925 80.4-109.0-147.6 169.4 42.1 40.6 43.0 243 244 A R E -m 288 0B 48 44,-2.3 46,-2.3 -2,-0.3 2,-0.5 -0.904 46.0-148.2 -97.4 121.9 38.6 41.8 43.7 244 245 A V E -m 289 0B 2 -2,-0.6 24,-2.7 22,-0.4 2,-0.4 -0.852 12.9-164.7-106.3 129.6 36.7 40.9 40.5 245 246 A F E -mn 290 268B 0 44,-3.1 46,-2.5 -2,-0.5 2,-0.3 -0.860 8.8-173.4-112.7 141.7 33.7 42.8 39.1 246 247 A V E - n 0 269B 0 22,-2.7 24,-2.8 -2,-0.4 25,-0.3 -0.812 26.1-138.4-130.6 169.2 31.2 41.6 36.5 247 248 A E S S+ 0 0 1 44,-0.5 2,-0.8 -2,-0.3 24,-0.3 0.833 94.3 0.3 -87.1 -92.8 28.3 42.8 34.3 248 249 A Y S >> S- 0 0 45 1,-0.2 4,-2.3 46,-0.1 3,-1.1 -0.876 73.5-153.7-104.2 103.1 25.6 40.1 34.4 249 250 A E H 3> S+ 0 0 63 -2,-0.8 4,-2.4 1,-0.3 5,-0.2 0.791 87.6 56.7 -46.1 -46.2 26.9 37.3 36.7 250 251 A P H 34 S+ 0 0 55 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.893 115.5 39.7 -58.0 -36.9 25.0 34.4 35.2 251 252 A Q H X> S+ 0 0 3 -3,-1.1 4,-2.2 1,-0.2 3,-0.8 0.898 114.4 51.2 -78.3 -42.8 26.5 35.1 31.8 252 253 A T H 3X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 7,-0.2 0.805 98.8 65.1 -67.7 -28.5 30.0 36.1 32.9 253 254 A R H 3< S+ 0 0 54 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.827 113.5 35.9 -61.4 -28.4 30.3 32.8 35.0 254 255 A I H <4 S+ 0 0 99 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.847 132.4 23.5 -90.9 -41.1 30.2 31.1 31.6 255 256 A E H < S+ 0 0 11 -4,-2.2 -27,-0.6 -26,-0.1 -3,-0.2 0.635 103.2 83.8-104.6 -19.0 32.0 33.5 29.3 256 257 A G S >< S- 0 0 0 -4,-2.5 3,-2.1 -5,-0.2 4,-0.2 -0.107 93.3 -91.3 -84.1-177.9 34.3 35.6 31.4 257 258 A E G > S+ 0 0 0 1,-0.3 3,-1.8 -31,-0.2 -18,-0.1 0.840 121.4 68.9 -58.2 -32.1 37.8 35.2 32.9 258 259 A I G > S+ 0 0 2 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.528 72.5 86.7 -67.5 -4.4 36.1 33.7 36.0 259 260 A Q G < S+ 0 0 43 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.717 85.5 58.5 -66.4 -17.0 35.1 30.6 33.9 260 261 A Q G < S+ 0 0 59 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.441 100.6 72.7 -89.6 -2.2 38.5 29.4 35.0 261 262 A L S < S- 0 0 16 -3,-1.8 -25,-0.0 1,-0.2 -3,-0.0 -0.682 97.3 -73.1-112.9 165.7 37.6 29.7 38.7 262 263 A P > - 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