==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-NOV-03 1RFT . COMPND 2 MOLECULE: PYRIDOXAL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OVIS ARIES; . AUTHOR D.-C.LIANG,T.JIANG,M.-H.LI . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.4 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 1 1 0 1 0 1 0 1 1 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 0 0 0 1 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 . 0 2 1 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 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 4 A E 0 0 209 0, 0.0 2,-0.4 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 57.8 31.8 68.6 -15.7 2 5 A C + 0 0 26 27,-0.2 29,-3.0 73,-0.1 2,-0.5 -0.795 360.0 169.7-131.2 91.2 34.0 65.8 -14.5 3 6 A R E -a 31 0A 85 -2,-0.4 73,-2.2 27,-0.2 72,-1.9 -0.898 7.3-176.6-107.6 131.0 32.1 62.6 -13.8 4 7 A V E -ab 32 76A 0 27,-2.1 29,-2.7 -2,-0.5 2,-0.9 -0.966 19.8-149.6-124.8 137.3 33.8 59.3 -13.1 5 8 A L E -ab 33 77A 5 71,-2.1 73,-1.2 -2,-0.4 2,-0.8 -0.796 22.0-171.5-107.1 88.5 32.1 55.9 -12.6 6 9 A S E -ab 34 78A 0 27,-2.0 29,-2.3 -2,-0.9 2,-0.9 -0.726 6.4-170.4 -87.6 111.3 34.5 54.2 -10.3 7 10 A I E +ab 35 79A 6 71,-2.2 73,-0.8 -2,-0.8 2,-0.3 -0.850 36.2 120.4-101.9 101.5 33.7 50.5 -9.8 8 11 A Q E -a 36 0A 5 27,-1.8 29,-2.7 -2,-0.9 30,-0.5 -0.924 61.4 -73.6-152.3 177.0 35.8 49.2 -7.0 9 12 A S E - 0 0 14 -2,-0.3 9,-2.5 27,-0.3 10,-0.6 -0.417 37.8-151.3 -79.4 154.4 35.9 47.7 -3.5 10 13 A H E -a 39 0A 37 28,-2.6 30,-1.8 7,-0.2 2,-0.4 -0.951 7.0-166.4-125.9 142.9 35.0 49.5 -0.4 11 14 A V E -a 40 0A 4 -2,-0.3 30,-0.2 5,-0.3 31,-0.1 -0.953 24.2-136.3-125.9 146.1 36.3 49.0 3.2 12 15 A V S S+ 0 0 89 28,-2.1 2,-0.3 -2,-0.4 30,-0.2 0.944 95.5 28.5 -65.9 -45.6 34.8 50.5 6.3 13 16 A R S S+ 0 0 120 28,-2.6 30,-0.2 27,-0.2 -1,-0.1 -0.818 109.3 17.8-113.6 152.9 38.3 51.2 7.6 14 17 A G S S- 0 0 6 -2,-0.3 2,-0.4 28,-0.1 -3,-0.2 -0.144 82.1 -76.5 87.2 176.1 41.4 52.0 5.7 15 18 A Y + 0 0 45 213,-0.2 2,-0.3 -5,-0.1 273,-0.3 -0.841 67.0 119.0-129.0 97.6 42.2 53.0 2.1 16 19 A V S > S- 0 0 19 -2,-0.4 3,-1.5 -7,-0.1 -5,-0.3 -0.976 70.2 -7.5-149.6 151.5 42.1 50.5 -0.6 17 20 A G T >> S- 0 0 1 -2,-0.3 3,-2.3 1,-0.3 4,-0.8 -0.307 133.5 -0.1 61.4-140.1 40.0 50.3 -3.8 18 21 A N H 3> S+ 0 0 2 -9,-2.5 4,-1.8 1,-0.3 -1,-0.3 0.726 130.9 61.6 -55.3 -27.1 37.2 53.0 -4.0 19 22 A R H <4 S+ 0 0 77 -3,-1.5 4,-0.4 -10,-0.6 -1,-0.3 0.715 108.0 45.0 -72.2 -18.2 38.3 54.4 -0.7 20 23 A A H <4 S+ 0 0 0 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.2 0.608 118.0 41.0 -99.8 -13.4 41.6 55.1 -2.2 21 24 A A H X S+ 0 0 0 -4,-0.8 4,-1.2 -5,-0.1 -2,-0.2 0.641 107.5 58.3-108.3 -17.5 40.4 56.6 -5.5 22 25 A T H X S+ 0 0 24 -4,-1.8 4,-1.6 -5,-0.2 5,-0.2 0.978 99.3 49.7 -77.6 -62.5 37.5 58.7 -4.3 23 26 A F H >> S+ 0 0 55 -4,-0.4 4,-2.7 -5,-0.3 3,-0.5 0.908 115.7 46.4 -45.6 -49.0 38.8 61.2 -1.9 24 27 A P H 3> S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.991 111.0 48.6 -56.0 -69.5 41.6 62.2 -4.3 25 28 A L H 3<>S+ 0 0 1 -4,-1.2 5,-2.6 1,-0.2 -2,-0.2 0.651 115.0 50.3 -46.4 -17.6 39.5 62.5 -7.4 26 29 A Q H X<5S+ 0 0 98 -4,-1.6 3,-3.0 -3,-0.5 -1,-0.2 0.911 104.6 50.5 -89.6 -50.5 37.2 64.7 -5.3 27 30 A V H 3<5S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.756 110.6 55.0 -58.5 -19.2 39.6 67.1 -3.7 28 31 A L T 3<5S- 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.010 127.7-105.4-101.5 22.9 40.8 67.6 -7.4 29 32 A G T < 5 + 0 0 60 -3,-3.0 2,-0.5 1,-0.2 -27,-0.2 0.455 69.2 145.3 72.7 9.7 37.1 68.4 -8.3 30 33 A F < - 0 0 7 -5,-2.6 2,-1.1 -6,-0.2 -1,-0.2 -0.658 51.2-130.2 -82.4 129.3 36.0 65.2 -10.0 31 34 A E E -a 3 0A 119 -29,-3.0 -27,-2.1 -2,-0.5 2,-0.7 -0.658 33.7-159.6 -72.8 101.8 32.3 64.3 -9.4 32 35 A V E -a 4 0A 12 -2,-1.1 2,-0.7 -29,-0.2 -27,-0.2 -0.800 17.6-166.5 -99.5 116.0 32.9 60.7 -8.4 33 36 A D E -a 5 0A 32 -29,-2.7 -27,-2.0 -2,-0.7 2,-0.5 -0.885 20.4-160.6 -93.5 117.9 30.1 58.2 -8.6 34 37 A A E -a 6 0A 48 -2,-0.7 2,-0.6 -29,-0.2 -27,-0.2 -0.915 16.6-168.5-114.4 124.8 31.3 55.1 -6.7 35 38 A V E -a 7 0A 22 -29,-2.3 -27,-1.8 -2,-0.5 2,-1.0 -0.938 21.6-139.4-106.7 113.0 30.0 51.6 -7.0 36 39 A N E -a 8 0A 64 -2,-0.6 -27,-0.3 -29,-0.2 -29,-0.1 -0.625 12.4-167.3 -77.1 104.1 31.3 49.4 -4.2 37 40 A S E S+ 0 0 10 -29,-2.7 17,-2.3 -2,-1.0 2,-0.3 0.670 78.2 0.2 -64.5 -16.3 32.1 46.0 -5.7 38 41 A V E - C 0 53A 30 -30,-0.5 -28,-2.6 15,-0.2 2,-0.4 -0.957 62.4-144.5-162.3 158.0 32.5 44.7 -2.1 39 42 A Q E +aC 10 52A 91 13,-2.6 13,-2.2 -2,-0.3 2,-0.3 -0.890 31.1 160.3-135.0 104.7 32.2 46.0 1.4 40 43 A F E -aC 11 51A 27 -30,-1.8 -28,-2.1 -2,-0.4 11,-0.3 -0.750 48.2-115.9-116.6 163.6 34.6 44.5 3.9 41 44 A S S S- 0 0 41 9,-2.4 -28,-2.6 -2,-0.3 2,-0.3 0.921 91.5 -14.8 -68.3 -42.9 35.7 45.8 7.3 42 45 A N S S- 0 0 25 -30,-0.2 -1,-0.2 8,-0.2 -28,-0.1 -0.929 91.1 -68.6-151.7 170.3 39.4 46.2 6.3 43 46 A H > - 0 0 13 -2,-0.3 3,-1.8 -30,-0.2 5,-0.0 -0.236 51.0-106.9 -66.6 158.6 41.6 45.1 3.4 44 47 A T T 3 S+ 0 0 80 1,-0.3 -1,-0.1 5,-0.0 5,-0.0 0.457 108.5 81.6 -66.4 3.7 42.4 41.4 3.3 45 48 A G T 3 S+ 0 0 45 238,-0.1 -1,-0.3 3,-0.0 239,-0.1 0.661 74.0 89.4 -82.8 -15.7 46.0 42.1 4.5 46 49 A Y S < S- 0 0 32 -3,-1.8 -4,-0.0 2,-0.2 236,-0.0 -0.316 96.0-105.4 -75.1 165.5 44.9 42.3 8.1 47 50 A S S S+ 0 0 115 -2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.968 104.0 19.7 -54.9 -54.2 44.9 39.2 10.2 48 51 A H + 0 0 154 2,-0.0 2,-0.2 -5,-0.0 -2,-0.2 -0.626 66.0 177.2-111.6 170.8 41.1 39.0 10.0 49 52 A W - 0 0 113 -2,-0.2 2,-0.4 -4,-0.1 -6,-0.1 -0.812 5.4-171.7-173.6 132.4 38.4 40.5 7.7 50 53 A K + 0 0 173 -2,-0.2 -9,-2.4 -8,-0.0 2,-0.3 -0.986 29.8 108.7-131.5 141.8 34.7 40.2 7.4 51 54 A G E -C 40 0A 30 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.3 -0.986 50.1 -96.8 177.0-171.7 32.5 41.5 4.7 52 55 A Q E -C 39 0A 121 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.3 -0.905 23.8-140.1-133.4 157.7 30.2 40.9 1.7 53 56 A V E -C 38 0A 92 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.894 16.3-124.3-120.6 151.1 30.7 41.0 -2.1 54 57 A L - 0 0 41 -17,-2.3 2,-0.1 -2,-0.3 33,-0.0 -0.826 29.4-146.1 -93.2 126.9 28.5 42.3 -4.8 55 58 A N > - 0 0 65 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.347 30.6 -93.6 -87.5 174.7 27.7 39.7 -7.4 56 59 A S H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.836 124.0 50.0 -56.1 -38.1 27.1 40.2 -11.1 57 60 A D H > S+ 0 0 128 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.965 110.4 49.3 -67.0 -50.0 23.4 40.5 -10.8 58 61 A E H > S+ 0 0 74 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.873 109.0 52.1 -55.5 -44.8 23.6 43.1 -8.0 59 62 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.882 110.2 51.5 -59.1 -38.2 26.0 45.2 -10.0 60 63 A Q H X S+ 0 0 61 -4,-1.5 4,-2.3 -5,-0.2 5,-0.3 0.967 100.6 60.0 -62.0 -55.2 23.5 45.0 -12.8 61 64 A E H X S+ 0 0 149 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.830 108.5 46.4 -42.2 -42.9 20.7 46.2 -10.6 62 65 A L H X S+ 0 0 91 -4,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.917 107.1 54.8 -72.0 -43.2 22.6 49.4 -10.0 63 66 A Y H >X S+ 0 0 12 -4,-1.9 4,-1.3 1,-0.2 3,-0.8 0.984 109.4 48.5 -52.8 -59.0 23.6 50.0 -13.5 64 67 A D H >X S+ 0 0 62 -4,-2.3 4,-2.8 1,-0.3 3,-1.1 0.871 103.3 64.1 -43.7 -45.7 19.9 49.9 -14.5 65 68 A G H 3X S+ 0 0 31 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.3 0.936 104.8 42.9 -45.7 -55.7 19.2 52.2 -11.7 66 69 A L H <<>S+ 0 0 52 -4,-1.9 5,-2.5 -3,-0.8 6,-0.3 0.710 113.7 56.8 -66.3 -18.1 21.2 54.9 -13.3 67 70 A K H X<5S+ 0 0 53 -4,-1.3 3,-3.4 -3,-1.1 -2,-0.2 0.978 100.6 51.7 -75.2 -60.0 19.6 54.0 -16.6 68 71 A L H 3<5S+ 0 0 128 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.776 113.6 47.8 -47.9 -31.4 16.0 54.4 -15.6 69 72 A N T 3<5S- 0 0 123 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.187 109.9-122.7 -98.0 17.3 16.9 57.9 -14.4 70 73 A H T < 5S+ 0 0 150 -3,-3.4 -3,-0.2 1,-0.1 -2,-0.1 0.892 80.6 112.9 42.5 57.6 18.8 58.9 -17.5 71 74 A V < + 0 0 52 -5,-2.5 2,-0.3 -6,-0.1 -4,-0.2 -0.014 31.5 114.4-141.5 27.6 22.0 59.7 -15.7 72 75 A N + 0 0 17 -6,-0.3 2,-0.5 -5,-0.2 29,-0.1 -0.278 46.9 111.5 -95.1 43.5 24.1 56.9 -17.1 73 76 A Q + 0 0 108 -2,-0.3 2,-0.2 -7,-0.1 26,-0.1 -0.908 40.1 164.1-124.0 105.6 26.4 59.3 -18.9 74 77 A Y - 0 0 3 -2,-0.5 -70,-0.2 24,-0.2 3,-0.1 -0.748 37.9-146.1-118.7 166.9 30.0 59.6 -17.7 75 78 A D S S+ 0 0 35 -72,-1.9 31,-1.9 1,-0.3 2,-0.3 0.896 88.4 20.9 -89.8 -57.4 33.3 61.0 -18.9 76 79 A Y E -bd 4 106A 29 -73,-2.2 -71,-2.1 29,-0.2 2,-0.4 -0.834 60.9-160.4-116.3 153.1 35.6 58.5 -17.3 77 80 A V E -bd 5 107A 0 29,-1.8 31,-1.9 -2,-0.3 2,-0.5 -0.997 15.0-164.1-130.9 123.0 35.0 55.0 -16.0 78 81 A L E +bd 6 108A 1 -73,-1.2 -71,-2.2 -2,-0.4 2,-0.3 -0.939 12.8 167.5-119.5 126.0 37.6 53.6 -13.5 79 82 A T E +bd 7 109A 4 29,-1.8 31,-2.0 -2,-0.5 -71,-0.2 -0.923 4.9 150.9-132.2 159.2 38.1 50.0 -12.5 80 83 A G + 0 0 1 -73,-0.8 2,-0.3 -2,-0.3 32,-0.2 -0.141 51.5 27.4-144.2-119.2 40.7 48.0 -10.6 81 84 A Y + 0 0 72 30,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.427 58.3 163.1 -66.3 121.7 40.8 44.8 -8.4 82 85 A T - 0 0 13 30,-0.4 3,-0.0 -2,-0.3 -74,-0.0 -0.984 23.3-172.1-137.6 145.4 38.1 42.3 -9.2 83 86 A R + 0 0 141 -2,-0.3 2,-0.5 42,-0.1 -1,-0.1 0.694 66.1 78.7-110.1 -27.3 38.0 38.6 -8.2 84 87 A D > - 0 0 59 1,-0.2 4,-2.0 41,-0.1 5,-0.1 -0.733 59.6-158.7 -89.0 126.9 34.9 37.4 -10.0 85 88 A K H > S+ 0 0 89 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.930 97.0 51.4 -65.9 -46.1 35.3 36.7 -13.8 86 89 A S H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.863 107.7 53.2 -59.6 -38.0 31.6 37.0 -14.3 87 90 A F H > S+ 0 0 5 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.952 106.1 51.5 -63.9 -49.0 31.6 40.4 -12.5 88 91 A L H X S+ 0 0 1 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.886 106.5 56.5 -56.1 -39.5 34.4 41.8 -14.7 89 92 A A H >X S+ 0 0 23 -4,-1.9 3,-3.1 1,-0.2 4,-1.6 0.984 104.3 50.5 -54.3 -62.9 32.4 40.7 -17.8 90 93 A M H 3X S+ 0 0 26 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.886 104.8 59.8 -37.3 -54.7 29.4 42.7 -16.7 91 94 A V H 3X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.717 103.8 51.1 -51.3 -28.8 31.7 45.7 -16.2 92 95 A V H X S+ 0 0 97 -4,-2.7 3,-2.3 2,-0.2 4,-1.6 0.998 110.0 41.2 -65.8 -67.3 30.5 49.6 -23.8 97 100 A E H 3X S+ 0 0 80 -4,-2.6 4,-1.5 1,-0.3 3,-0.4 0.910 114.7 57.3 -45.3 -44.9 27.0 50.9 -23.6 98 101 A L H 3X S+ 0 0 0 -4,-3.3 4,-0.8 -5,-0.3 -1,-0.3 0.701 102.3 53.0 -61.7 -23.2 28.5 53.8 -21.8 99 102 A K H << S+ 0 0 51 -3,-2.3 6,-0.2 -4,-0.8 -1,-0.2 0.825 105.6 51.5 -82.6 -34.0 30.9 54.7 -24.6 100 103 A Q H < S+ 0 0 171 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.814 107.4 57.4 -68.7 -28.6 28.2 54.8 -27.2 101 104 A Q H < S+ 0 0 93 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.849 126.6 12.7 -69.5 -34.0 26.6 57.1 -24.8 102 105 A N >< - 0 0 20 -4,-0.8 3,-1.0 1,-0.1 -1,-0.3 -0.835 64.0-159.5-147.9 105.8 29.7 59.4 -24.9 103 106 A P T 3 S+ 0 0 109 0, 0.0 2,-2.0 0, 0.0 -1,-0.1 0.921 92.4 59.2 -47.2 -56.6 32.4 59.1 -27.5 104 107 A R T 3 S+ 0 0 168 2,-0.1 2,-0.6 -28,-0.0 -5,-0.0 -0.012 76.7 140.1 -67.9 35.8 35.1 60.9 -25.5 105 108 A L < - 0 0 5 -2,-2.0 2,-0.6 -3,-1.0 -29,-0.2 -0.749 39.1-157.8 -85.3 119.5 34.6 58.2 -22.8 106 109 A V E -d 76 0A 37 -31,-1.9 -29,-1.8 -2,-0.6 2,-0.8 -0.875 2.0-155.1-100.6 124.5 38.0 57.3 -21.3 107 110 A Y E -d 77 0A 0 -2,-0.6 35,-2.7 33,-0.2 36,-1.2 -0.864 6.9-162.4-100.9 105.3 38.1 53.9 -19.7 108 111 A V E -de 78 143A 1 -31,-1.9 -29,-1.8 -2,-0.8 2,-0.5 -0.786 15.9-177.1 -90.6 113.6 41.0 53.9 -17.1 109 112 A C E -de 79 144A 0 34,-1.7 36,-1.0 -2,-0.8 -29,-0.2 -0.943 25.1-165.0-122.5 125.0 41.8 50.3 -16.3 110 113 A D - 0 0 12 -31,-2.0 2,-2.9 -2,-0.5 34,-0.1 -0.866 21.3-147.2-105.4 99.1 44.3 48.8 -13.8 111 114 A P - 0 0 0 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.329 20.4-167.2 -66.5 66.3 44.5 45.2 -14.8 112 115 A V + 0 0 10 -2,-2.9 -30,-0.4 1,-0.2 3,-0.1 -0.430 34.6 130.6 -64.8 112.7 45.1 43.9 -11.3 113 116 A M - 0 0 0 -2,-0.5 11,-2.3 1,-0.3 12,-0.6 0.587 64.5 -51.9-131.8 -33.8 46.3 40.2 -11.5 114 117 A G E -J 123 0B 0 9,-0.3 36,-0.4 10,-0.2 -1,-0.3 -0.977 45.6 -91.7 171.6 177.0 49.3 39.8 -9.3 115 118 A D E -J 122 0B 94 7,-0.9 7,-1.6 -2,-0.3 2,-0.2 -0.767 28.8-162.6-114.4 160.5 52.8 40.8 -8.2 116 119 A Q - 0 0 22 -2,-0.3 5,-0.2 5,-0.2 4,-0.0 -0.689 13.1-168.1-129.8-177.8 56.3 39.6 -9.2 117 120 A R S > S- 0 0 173 -2,-0.2 3,-1.5 32,-0.0 -2,-0.0 -0.324 78.5 -37.8-178.8 84.3 59.9 39.7 -8.1 118 121 A N T 3 S- 0 0 129 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.431 125.9 -42.3 73.4 2.1 62.7 38.7 -10.4 119 122 A G T 3 S+ 0 0 57 3,-0.0 2,-2.8 1,-0.0 -1,-0.3 -0.082 115.4 110.5 134.0 -32.3 60.5 36.0 -11.9 120 123 A E < + 0 0 168 -3,-1.5 2,-0.2 -4,-0.0 -5,-0.0 -0.434 50.9 133.4 -73.4 71.6 59.0 34.7 -8.7 121 124 A G + 0 0 24 -2,-2.8 2,-0.3 -5,-0.2 -5,-0.2 -0.696 27.4 170.5-116.0 171.1 55.6 36.1 -9.5 122 125 A A E -J 115 0B 66 -7,-1.6 -7,-0.9 -2,-0.2 2,-0.1 -0.860 36.6 -97.8-177.1 144.5 52.2 34.6 -9.3 123 126 A M E -J 114 0B 52 -2,-0.3 -9,-0.3 -9,-0.2 4,-0.1 -0.381 16.6-162.1 -71.0 149.8 48.6 35.8 -9.6 124 127 A Y S S+ 0 0 117 -11,-2.3 -10,-0.2 2,-0.1 -1,-0.1 0.046 77.3 63.0-117.0 21.6 46.6 36.5 -6.5 125 128 A V S S- 0 0 10 -12,-0.6 4,-0.1 -44,-0.0 -42,-0.1 -0.916 107.4 -72.8-135.9 158.2 43.3 36.4 -8.4 126 129 A P > - 0 0 41 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.244 38.6-129.9 -55.2 140.7 41.8 33.3 -10.2 127 130 A D G > S+ 0 0 123 1,-0.3 3,-1.3 2,-0.2 -3,-0.0 0.767 100.0 81.6 -64.4 -23.5 43.7 32.5 -13.4 128 131 A D G 3 S+ 0 0 65 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.420 85.3 64.5 -63.0 7.8 40.4 32.4 -15.3 129 132 A L G <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.1 3,-0.4 0.763 80.7 72.3 -99.9 -34.8 40.8 36.2 -15.3 130 133 A L H <> S+ 0 0 27 -3,-1.3 4,-2.3 -4,-0.3 5,-0.3 0.882 97.1 53.3 -48.0 -42.8 43.8 36.5 -17.5 131 134 A P H > S+ 0 0 51 0, 0.0 4,-3.4 0, 0.0 5,-0.4 0.909 109.6 46.7 -60.9 -43.6 41.8 35.5 -20.5 132 135 A V H >>S+ 0 0 15 -3,-0.4 4,-2.8 -4,-0.4 5,-2.0 0.946 113.4 46.4 -65.7 -51.2 39.1 38.2 -20.0 133 136 A Y H <>S+ 0 0 0 -4,-2.3 5,-3.0 3,-0.2 -1,-0.2 0.953 119.6 41.5 -56.5 -50.8 41.5 41.1 -19.4 134 137 A R H <5S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.955 130.7 25.5 -62.3 -51.5 43.6 40.0 -22.4 135 138 A E H <5S+ 0 0 136 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.902 137.8 13.9 -82.4 -46.3 40.6 39.2 -24.7 136 139 A K T X5S+ 0 0 119 -4,-2.8 4,-0.6 -5,-0.4 -3,-0.2 0.903 125.4 38.0 -97.4 -60.9 37.7 41.3 -23.4 137 140 A V H >>4 - 0 0 24 -36,-0.2 4,-2.0 -33,-0.2 5,-0.2 -0.091 36.8-106.1 -73.2 178.4 52.8 45.7 -13.2 148 151 A Q H > S+ 0 0 10 36,-0.5 4,-2.3 2,-0.2 11,-0.1 0.922 128.6 45.4 -70.9 -42.1 55.9 44.4 -14.9 149 152 A F H > S+ 0 0 21 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 113.4 48.0 -58.3 -58.5 54.4 41.1 -14.0 150 153 A E H > S+ 0 0 3 -36,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.872 113.3 47.3 -55.7 -42.8 50.9 42.0 -15.2 151 154 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 6,-0.4 0.895 110.2 53.3 -69.6 -35.0 52.2 43.5 -18.5 152 155 A E H X>S+ 0 0 15 -4,-2.3 4,-1.8 1,-0.2 5,-1.0 0.928 110.1 49.5 -62.3 -40.8 54.3 40.4 -19.0 153 156 A L H <5S+ 0 0 38 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.893 110.7 46.9 -65.1 -44.7 51.1 38.3 -18.5 154 157 A L H <5S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.917 121.6 36.4 -65.1 -43.3 49.0 40.2 -20.9 155 158 A T H <5S- 0 0 20 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.674 100.4-134.3 -82.3 -20.8 51.6 40.2 -23.6 156 159 A G T <5 + 0 0 66 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.2 0.691 68.7 117.1 73.2 17.0 52.8 36.8 -22.8 157 160 A R < - 0 0 78 -5,-1.0 2,-0.3 -6,-0.4 -1,-0.2 -0.966 61.4-132.2-127.0 132.1 56.3 38.1 -23.0 158 161 A K - 0 0 121 -2,-0.4 2,-0.5 -3,-0.1 -9,-0.1 -0.590 19.2-133.6 -82.7 137.2 59.0 38.5 -20.3 159 162 A I + 0 0 12 -2,-0.3 3,-0.1 1,-0.1 -7,-0.0 -0.761 36.8 153.5 -93.8 126.3 61.0 41.7 -19.9 160 163 A H + 0 0 146 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.661 65.7 28.1-117.5 -36.0 64.8 41.7 -19.6 161 164 A S S > S- 0 0 55 1,-0.1 4,-1.5 26,-0.1 -1,-0.2 -0.756 79.6-109.6-123.3 174.2 65.9 45.1 -20.8 162 165 A Q H > S+ 0 0 64 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.868 120.5 53.4 -69.9 -36.8 64.5 48.5 -21.0 163 166 A E H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.898 105.8 51.5 -66.1 -40.7 64.2 48.1 -24.7 164 167 A E H > S+ 0 0 33 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.865 108.6 55.4 -64.3 -32.4 62.3 45.0 -24.3 165 168 A A H >X S+ 0 0 1 -4,-1.5 3,-2.4 1,-0.2 4,-2.2 0.981 104.3 49.3 -61.4 -58.3 60.0 46.9 -22.0 166 169 A L H 3X S+ 0 0 21 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.797 112.1 52.5 -52.4 -28.1 59.3 49.6 -24.6 167 170 A E H 3X S+ 0 0 90 -4,-1.4 4,-0.9 2,-0.2 -1,-0.3 0.643 105.8 51.9 -83.7 -16.7 58.5 46.8 -26.9 168 171 A V H X S+ 0 0 0 -4,-0.8 3,-3.3 1,-0.2 4,-0.8 0.968 105.1 51.9 -73.3 -55.0 50.0 46.8 -25.4 173 176 A H H >< S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.853 104.5 59.6 -46.6 -38.8 49.1 49.8 -27.5 174 177 A S T 3< S+ 0 0 80 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.292 100.3 58.4 -76.5 11.6 48.4 47.3 -30.3 175 178 A M T <4 S- 0 0 55 -3,-3.3 -1,-0.3 2,-0.2 -2,-0.2 0.548 128.3 -86.9-111.7 -20.9 45.8 45.9 -28.0 176 179 A G S << S+ 0 0 29 -3,-1.1 -3,-0.1 -4,-0.8 -4,-0.1 -0.358 89.0 107.9 150.3 -64.1 43.9 49.1 -27.6 177 180 A P - 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.231 44.5-161.1 -52.9 126.6 45.0 51.5 -24.9 178 181 A D S S+ 0 0 69 -36,-0.5 25,-2.4 1,-0.1 2,-0.4 0.374 82.5 55.4 -86.7 0.1 46.7 54.7 -26.2 179 182 A T E + G 0 202A 9 23,-0.2 -35,-2.1 -37,-0.2 2,-0.4 -0.989 62.6 168.5-137.8 126.2 48.2 55.1 -22.8 180 183 A V E +fG 144 201A 0 21,-1.4 21,-2.1 -2,-0.4 2,-0.4 -0.991 5.2 178.8-139.4 127.5 50.2 52.5 -20.9 181 184 A V E - G 0 200A 0 -37,-1.7 2,-1.3 -2,-0.4 19,-0.3 -0.961 20.0-152.6-134.0 114.6 52.2 53.1 -17.8 182 185 A I E - G 0 199A 2 17,-3.6 17,-2.3 -2,-0.4 -35,-0.2 -0.770 17.1-154.7 -86.8 99.4 54.1 50.2 -16.2 183 186 A T E + 0 0 29 -2,-1.3 2,-0.3 -37,-1.0 -1,-0.2 0.615 66.9 0.2 -52.1 -19.8 54.0 51.7 -12.7 184 187 A S E - 0 0 32 -38,-0.4 -36,-0.5 15,-0.1 2,-0.3 -0.877 63.5-165.3-173.6 142.0 57.1 49.8 -11.5 185 188 A S E - G 0 197A 7 12,-2.1 12,-0.6 -2,-0.3 4,-0.1 -0.829 32.0-130.9-131.5 168.3 59.8 47.4 -12.7 186 189 A N S S+ 0 0 70 -2,-0.3 2,-0.1 10,-0.1 3,-0.1 0.508 72.3 119.1 -90.4 -9.8 62.6 45.1 -11.6 187 190 A L S S- 0 0 25 10,-0.1 10,-0.4 1,-0.1 2,-0.2 -0.376 78.0-108.6 -60.5 130.7 64.9 46.8 -14.1 188 191 A L - 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