==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION, TRANSFERASE 12-NOV-04 1XZN . COMPND 2 MOLECULE: PYRR BIFUNCTIONAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CALDOLYTICUS; . AUTHOR P.CHANDER,K.M.HALBIG,J.K.MILLER,C.J.FIELDS,H.K.BONNER, . 321 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.7 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 . 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 . 30 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 0 0 0 0 0 0 0 1 1 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 2 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 PARALLEL BRIDGES PER LADDER . 1 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 1 A M 0 0 154 0, 0.0 160,-2.1 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.5 42.0 57.7 -6.0 2 2 A Q E +A 160 0A 81 158,-0.2 158,-0.3 1,-0.2 3,-0.1 -0.398 360.0 176.0 -62.4 113.1 42.1 54.6 -8.1 3 3 A K E - 0 0 122 156,-2.6 2,-0.3 -2,-0.4 157,-0.2 0.943 61.5 -15.0 -81.7 -55.0 44.0 51.9 -6.3 4 4 A A E -A 159 0A 47 155,-1.6 155,-2.6 0, 0.0 2,-0.7 -0.998 56.0-116.5-154.6 155.6 43.5 49.0 -8.7 5 5 A V E +A 158 0A 69 -2,-0.3 153,-0.3 153,-0.2 3,-0.1 -0.830 30.5 172.1 -92.9 113.5 41.5 47.6 -11.6 6 6 A V E + 0 0 38 151,-1.3 2,-0.4 -2,-0.7 152,-0.2 0.737 68.5 27.7 -94.3 -25.5 39.6 44.5 -10.5 7 7 A M E -A 157 0A 6 150,-2.0 150,-2.8 127,-0.0 -1,-0.3 -0.986 66.9-163.3-140.4 129.5 37.5 44.0 -13.6 8 8 A D > - 0 0 78 -2,-0.4 4,-2.6 148,-0.2 5,-0.2 -0.496 43.3 -89.2-101.2 174.8 38.2 45.0 -17.2 9 9 A E H > S+ 0 0 104 146,-0.4 4,-2.1 1,-0.2 5,-0.1 0.839 126.2 47.1 -52.0 -43.4 35.7 45.3 -20.1 10 10 A Q H > S+ 0 0 65 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.882 112.3 50.0 -69.2 -38.7 36.1 41.7 -21.2 11 11 A A H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.895 111.1 49.9 -65.4 -41.1 35.7 40.4 -17.6 12 12 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 112.2 47.7 -64.0 -42.5 32.6 42.5 -17.2 13 13 A R H X S+ 0 0 90 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.896 113.3 47.1 -66.2 -41.4 31.2 41.1 -20.5 14 14 A R H X S+ 0 0 175 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.855 112.3 50.9 -69.6 -32.5 32.0 37.5 -19.5 15 15 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.933 113.8 43.5 -68.7 -46.1 30.5 38.0 -16.1 16 16 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 111.0 53.8 -65.6 -43.7 27.3 39.5 -17.4 17 17 A T H X S+ 0 0 50 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.875 111.4 46.8 -59.4 -38.2 26.9 36.9 -20.2 18 18 A R H X S+ 0 0 99 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.908 108.7 53.4 -71.0 -43.9 27.2 34.1 -17.6 19 19 A I H X S+ 0 0 3 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.910 105.8 55.3 -57.6 -40.9 24.7 35.7 -15.3 20 20 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.951 110.6 44.4 -56.2 -49.7 22.2 35.9 -18.1 21 21 A H H X S+ 0 0 96 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.851 112.0 53.4 -64.4 -34.2 22.7 32.1 -18.6 22 22 A E H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.889 107.3 51.7 -67.4 -39.2 22.4 31.6 -14.9 23 23 A I H X S+ 0 0 1 -4,-2.9 4,-1.2 2,-0.2 -2,-0.2 0.924 110.9 46.1 -63.2 -46.1 19.1 33.5 -14.7 24 24 A I H <>S+ 0 0 15 -4,-2.0 5,-2.9 -5,-0.2 4,-0.3 0.929 113.9 51.1 -61.3 -46.2 17.5 31.5 -17.5 25 25 A E H ><5S+ 0 0 143 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.950 109.7 45.5 -57.0 -58.7 18.7 28.3 -15.9 26 26 A R H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.710 121.4 39.7 -62.3 -22.2 17.5 28.8 -12.4 27 27 A N T 3<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.304 107.8-124.6-108.4 7.1 14.1 30.0 -13.6 28 28 A K T < 5S- 0 0 202 -3,-1.5 -3,-0.2 -4,-0.3 3,-0.2 0.956 84.1 -13.5 47.6 60.0 14.0 27.4 -16.4 29 29 A G S S+ 0 0 8 -2,-0.1 3,-1.6 23,-0.1 2,-0.1 0.213 73.0 135.0-104.9 18.4 12.5 33.7 -18.4 31 31 A D T 3 S+ 0 0 141 1,-0.3 3,-0.1 -3,-0.2 30,-0.1 -0.436 77.5 11.9 -68.4 136.1 8.7 33.5 -18.4 32 32 A G T 3 S+ 0 0 42 1,-0.3 50,-3.2 -2,-0.1 2,-0.3 0.493 104.1 123.9 77.1 2.4 7.0 35.4 -15.6 33 33 A C E < -c 82 0B 8 -3,-1.6 2,-0.4 48,-0.2 -1,-0.3 -0.728 41.0-169.2 -98.8 147.6 10.4 37.1 -14.9 34 34 A V E -c 83 0B 0 48,-2.8 50,-3.8 -2,-0.3 2,-0.6 -0.998 15.8-139.0-136.4 138.0 11.0 40.8 -14.9 35 35 A L E -cd 84 63B 1 27,-2.8 29,-3.4 -2,-0.4 2,-0.5 -0.870 19.8-174.9 -99.8 120.8 14.3 42.7 -14.7 36 36 A V E -cd 85 64B 12 48,-2.6 50,-2.4 -2,-0.6 29,-0.2 -0.926 10.0-153.7-120.1 108.9 14.3 45.8 -12.4 37 37 A G E -cd 86 65B 0 27,-2.4 29,-2.0 -2,-0.5 2,-0.6 -0.530 8.4-138.8 -82.1 145.2 17.4 48.0 -12.4 38 38 A I E > - d 0 66B 0 48,-2.6 4,-1.0 -2,-0.2 50,-0.3 -0.916 63.8 -31.2-106.0 119.2 18.3 50.1 -9.4 39 39 A K H > S- 0 0 81 27,-2.8 4,-2.3 -2,-0.6 5,-0.2 0.094 101.2 -46.6 62.3-179.5 19.6 53.6 -10.2 40 40 A T H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 136.6 36.1 -48.1 -64.4 21.5 54.5 -13.4 41 41 A R H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 114.7 56.8 -65.4 -36.4 24.2 51.8 -13.7 42 42 A G H X S+ 0 0 0 -4,-1.0 4,-3.0 1,-0.2 -1,-0.2 0.918 107.7 49.9 -59.2 -41.0 21.8 49.1 -12.4 43 43 A I H X S+ 0 0 18 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.908 109.2 49.7 -65.0 -43.3 19.4 50.0 -15.2 44 44 A Y H X S+ 0 0 61 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 113.5 47.3 -63.6 -36.8 22.1 49.8 -17.8 45 45 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.939 110.7 50.8 -68.4 -46.6 23.1 46.4 -16.5 46 46 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.899 111.0 50.0 -58.0 -40.9 19.5 45.2 -16.4 47 47 A R H X S+ 0 0 113 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.916 109.4 50.2 -64.9 -42.7 19.1 46.3 -20.0 48 48 A R H X S+ 0 0 25 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.921 111.6 49.7 -60.8 -43.2 22.3 44.5 -21.0 49 49 A L H X S+ 0 0 2 -4,-2.8 4,-3.4 2,-0.2 -2,-0.2 0.943 110.9 48.3 -60.3 -49.4 21.0 41.4 -19.3 50 50 A A H X S+ 0 0 11 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.899 111.3 50.4 -59.4 -42.1 17.6 41.6 -21.0 51 51 A E H X S+ 0 0 134 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.945 114.5 44.4 -61.5 -46.8 19.2 42.1 -24.4 52 52 A R H X S+ 0 0 41 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.910 112.7 52.1 -63.0 -43.0 21.4 39.1 -23.8 53 53 A I H X S+ 0 0 1 -4,-3.4 4,-2.9 1,-0.2 5,-0.4 0.931 108.9 48.9 -61.2 -46.9 18.5 37.0 -22.4 54 54 A E H X S+ 0 0 88 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.889 108.2 52.5 -62.0 -41.5 16.2 37.7 -25.4 55 55 A Q H < S+ 0 0 147 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.824 115.3 45.1 -64.2 -27.7 18.9 36.8 -28.0 56 56 A I H < S+ 0 0 50 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.935 128.3 22.1 -80.3 -50.8 19.4 33.5 -26.1 57 57 A E H < S- 0 0 94 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.592 95.2-127.8 -94.5 -12.2 15.7 32.5 -25.5 58 58 A G S < S+ 0 0 64 -4,-2.8 2,-0.4 -5,-0.4 -4,-0.2 0.629 75.9 114.3 74.0 11.2 14.2 34.4 -28.3 59 59 A A - 0 0 31 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.3 -0.958 66.8-126.5-118.5 133.9 11.8 35.8 -25.7 60 60 A S - 0 0 81 -2,-0.4 -9,-0.1 -3,-0.1 -10,-0.0 -0.441 20.3-148.7 -75.8 150.8 11.7 39.5 -24.7 61 61 A V - 0 0 10 -11,-0.1 -27,-0.1 -2,-0.1 2,-0.1 -0.987 18.3-115.7-127.1 131.3 12.0 40.4 -20.9 62 62 A P - 0 0 54 0, 0.0 -27,-2.8 0, 0.0 2,-0.5 -0.394 28.3-157.2 -65.2 134.2 10.3 43.4 -19.3 63 63 A V E -d 35 0B 37 -29,-0.2 -27,-0.2 -2,-0.1 2,-0.2 -0.967 10.6-173.8-120.2 129.7 12.8 45.9 -17.8 64 64 A G E -d 36 0B 2 -29,-3.4 -27,-2.4 -2,-0.5 2,-0.4 -0.700 14.9-135.5-113.3 167.3 11.8 48.3 -15.1 65 65 A E E -d 37 0B 77 -2,-0.2 2,-0.4 -29,-0.2 -27,-0.2 -0.978 14.1-171.4-126.9 138.0 13.6 51.2 -13.4 66 66 A L E -d 38 0B 24 -29,-2.0 -27,-2.8 -2,-0.4 2,-1.1 -0.986 12.5-156.6-132.4 123.1 13.8 52.0 -9.7 67 67 A D + 0 0 133 -2,-0.4 2,-0.6 -29,-0.2 -29,-0.1 -0.778 28.1 164.9 -98.9 90.6 15.2 55.2 -8.3 68 68 A I + 0 0 25 -2,-1.1 2,-0.4 2,-0.0 31,-0.1 -0.917 1.5 162.0-113.5 111.2 16.2 54.2 -4.7 69 69 A T - 0 0 97 -2,-0.6 2,-0.3 29,-0.1 -2,-0.0 -0.994 16.3-164.4-129.9 133.4 18.5 56.5 -2.8 70 70 A L - 0 0 90 -2,-0.4 2,-0.2 1,-0.0 25,-0.0 -0.726 35.7 -88.1-110.3 162.3 19.0 56.6 0.9 71 71 A Y 0 0 187 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 -0.519 360.0 360.0 -76.0 137.7 20.6 59.3 3.0 72 72 A R 0 0 244 -2,-0.2 -1,-0.2 0, 0.0 0, 0.0 0.949 360.0 360.0 44.8 360.0 24.4 59.3 3.4 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 91 A V 0 0 78 0, 0.0 -10,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.8 9.0 52.1 -14.8 75 92 A P + 0 0 104 0, 0.0 -11,-0.0 0, 0.0 -10,-0.0 0.912 360.0 77.4 -53.3-126.8 5.6 50.3 -15.2 76 93 A F S S- 0 0 60 2,-0.0 -42,-0.0 -13,-0.0 -12,-0.0 0.648 73.4 -3.4 26.7-166.7 4.5 46.9 -15.8 77 94 A P + 0 0 46 0, 0.0 3,-0.1 0, 0.0 30,-0.1 0.196 46.6 137.0 -48.6 157.2 4.1 43.6 -13.9 78 95 A V > + 0 0 10 1,-0.3 3,-2.3 30,-0.1 32,-0.4 0.102 48.8 95.5-162.4 -53.8 5.0 42.7 -10.4 79 96 A T T 3 S- 0 0 72 27,-0.3 -1,-0.3 1,-0.3 3,-0.1 -0.295 107.3 -3.8 -58.7 127.5 2.2 40.6 -9.0 80 97 A E T 3 S+ 0 0 159 28,-2.6 -1,-0.3 1,-0.2 2,-0.3 0.686 112.8 115.1 61.9 20.0 2.8 36.9 -9.4 81 98 A R S < S- 0 0 88 -3,-2.3 29,-2.0 27,-0.1 30,-1.5 -0.735 74.6-114.1-113.5 164.0 6.0 37.6 -11.3 82 99 A N E -ce 33 111B 11 -50,-3.2 -48,-2.8 -2,-0.3 2,-0.8 -0.889 32.8-156.8 -95.2 106.6 9.6 37.0 -10.4 83 100 A V E -ce 34 112B 1 28,-2.5 30,-2.4 -2,-0.9 2,-0.9 -0.764 3.7-161.3 -89.2 113.7 11.1 40.4 -10.0 84 101 A I E -ce 35 113B 1 -50,-3.8 -48,-2.6 -2,-0.8 30,-0.2 -0.809 7.5-152.3 -99.3 101.5 14.8 40.3 -10.6 85 102 A L E -ce 36 114B 0 28,-2.5 30,-2.8 -2,-0.9 2,-0.4 -0.452 10.1-160.2 -68.9 142.0 16.5 43.3 -9.0 86 103 A V E +ce 37 115B 3 -50,-2.4 -48,-2.6 28,-0.2 2,-0.3 -0.994 17.7 161.5-130.6 128.6 19.7 44.4 -10.7 87 104 A D E - e 0 116B 9 28,-2.2 30,-1.2 -2,-0.4 31,-0.1 -0.953 39.7-130.9-140.2 157.2 22.4 46.6 -9.2 88 105 A D E S+ 0 0 31 -2,-0.3 30,-2.3 -50,-0.3 2,-0.4 0.888 91.5 24.2 -78.9 -36.2 26.1 47.2 -9.9 89 106 A V E - e 0 118B 27 28,-0.2 2,-0.6 27,-0.1 -1,-0.2 -0.985 58.9-156.8-137.2 130.1 27.4 46.8 -6.4 90 107 A L E + e 0 119B 5 28,-3.0 30,-2.2 -2,-0.4 31,-0.3 -0.911 37.9 139.2-101.8 123.0 26.2 44.9 -3.3 91 108 A F S S- 0 0 71 -2,-0.6 -1,-0.1 28,-0.2 33,-0.1 0.326 75.3 -3.0-126.2-104.9 27.7 46.4 -0.2 92 109 A T S S- 0 0 24 31,-0.2 32,-2.8 32,-0.1 33,-0.6 0.799 85.9-132.1 -66.9 -27.7 25.7 47.0 3.1 93 110 A G S > S+ 0 0 4 30,-0.2 4,-1.7 31,-0.1 -1,-0.1 0.420 73.3 120.3 89.3 -0.3 22.6 45.7 1.3 94 111 A R H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.872 70.1 53.6 -64.9 -38.1 20.6 48.7 2.6 95 112 A T H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.914 108.1 49.8 -63.5 -43.5 19.7 49.9 -0.9 96 113 A V H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 107.1 55.5 -63.1 -37.9 18.3 46.5 -1.9 97 114 A R H X S+ 0 0 30 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.892 111.3 43.0 -62.5 -40.6 16.2 46.3 1.2 98 115 A A H X S+ 0 0 13 -4,-1.6 4,-2.4 2,-0.2 3,-0.3 0.899 110.6 57.0 -69.9 -41.2 14.6 49.7 0.4 99 116 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.856 104.5 52.3 -58.1 -35.4 14.2 48.5 -3.2 100 117 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.839 105.8 54.3 -70.0 -32.7 12.3 45.5 -2.0 101 118 A D H X S+ 0 0 51 -4,-1.1 4,-1.0 -3,-0.3 -2,-0.2 0.950 108.5 49.4 -62.5 -49.4 10.0 47.8 -0.1 102 119 A A H >X S+ 0 0 20 -4,-2.4 3,-1.3 1,-0.2 4,-0.7 0.939 109.0 51.5 -55.1 -50.9 9.3 49.7 -3.3 103 120 A V H >< S+ 0 0 4 -4,-2.3 3,-1.3 1,-0.3 4,-0.4 0.896 107.4 53.5 -53.9 -43.3 8.6 46.5 -5.2 104 121 A M H 3< S+ 0 0 43 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.668 100.4 61.2 -67.0 -20.0 6.0 45.4 -2.5 105 122 A D H << S+ 0 0 139 -3,-1.3 -1,-0.3 -4,-1.0 -2,-0.2 0.640 104.7 49.8 -79.6 -16.5 4.2 48.8 -2.9 106 123 A L S << S- 0 0 106 -3,-1.3 -27,-0.3 -4,-0.7 2,-0.3 0.492 128.0 -64.2 -98.9 -6.8 3.5 47.9 -6.5 107 124 A G - 0 0 22 -4,-0.4 -1,-0.3 -3,-0.2 0, 0.0 -0.947 59.7 -64.2 151.8-171.3 2.1 44.4 -5.8 108 125 A R - 0 0 134 -2,-0.3 -28,-2.6 -3,-0.1 -27,-0.1 -0.906 47.0-156.6-116.9 99.7 3.0 40.9 -4.5 109 126 A P - 0 0 0 0, 0.0 -27,-0.2 0, 0.0 -30,-0.2 -0.343 26.7-122.1 -71.9 157.7 5.6 39.2 -6.7 110 127 A A S S- 0 0 51 -29,-2.0 2,-0.3 -32,-0.4 -28,-0.2 0.781 91.4 -27.5 -68.5 -25.1 5.9 35.4 -6.7 111 128 A R E -e 82 0B 61 -30,-1.5 -28,-2.5 2,-0.0 2,-0.4 -0.970 57.6-126.5-176.0 167.4 9.4 36.1 -5.6 112 129 A I E -e 83 0B 0 174,-2.6 2,-0.2 -2,-0.3 -28,-0.2 -0.998 23.3-176.4-131.2 133.0 12.3 38.6 -5.7 113 130 A Q E -e 84 0B 4 -30,-2.4 -28,-2.5 -2,-0.4 2,-0.4 -0.733 14.1-139.6-119.7 171.2 15.8 37.8 -6.9 114 131 A L E -e 85 0B 0 -2,-0.2 17,-2.1 -30,-0.2 16,-1.7 -0.983 14.3-177.4-141.3 126.9 19.0 39.9 -7.0 115 132 A A E +ef 86 131B 2 -30,-2.8 -28,-2.2 -2,-0.4 2,-0.3 -0.983 11.2 173.9-122.9 132.1 21.7 40.2 -9.5 116 133 A V E -ef 87 132B 2 15,-2.2 17,-2.3 -2,-0.4 -28,-0.2 -0.990 36.1-136.9-139.2 148.7 24.8 42.4 -9.1 117 134 A L E S+ 0 0 1 -30,-1.2 17,-1.5 -2,-0.3 2,-0.4 0.939 91.8 14.2 -66.7 -47.9 28.1 43.0 -11.0 118 135 A V E -ef 89 134B 0 -30,-2.3 -28,-3.0 15,-0.2 2,-0.5 -0.981 55.0-158.1-136.9 146.5 30.1 43.0 -7.8 119 136 A D E -ef 90 135B 16 15,-1.8 17,-2.9 -2,-0.4 -28,-0.2 -0.989 10.2-178.3-114.8 115.1 29.8 42.0 -4.1 120 137 A R - 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