==== 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 TRANSFERASE 10-DEC-03 1RTZ . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,X.JI . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 23.0 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 9 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 23.0 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+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 0 0 1 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 0 1 1 0 1 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 . 1 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 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 T 0 0 68 0, 0.0 61,-2.5 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 139.2 9.8 7.2 19.5 2 2 A V E -A 61 0A 44 59,-0.2 94,-2.7 57,-0.1 2,-0.4 -0.742 360.0-172.3 -91.7 117.5 7.9 9.8 17.5 3 3 A A E -AB 60 95A 0 57,-3.2 57,-2.9 -2,-0.6 2,-0.5 -0.869 14.2-146.1-103.3 142.5 10.1 12.0 15.3 4 4 A Y E -AB 59 94A 46 90,-2.4 89,-2.9 -2,-0.4 90,-1.4 -0.956 19.5-170.8-110.3 120.5 8.8 15.0 13.5 5 5 A I E -AB 58 92A 0 53,-2.5 53,-2.2 -2,-0.5 2,-0.4 -0.938 14.0-142.3-118.7 132.0 10.4 15.7 10.1 6 6 A A E -AB 57 91A 7 85,-2.9 85,-2.3 -2,-0.4 2,-0.4 -0.759 14.8-161.2 -88.0 141.3 10.0 18.7 7.8 7 7 A I E +AB 56 90A 1 49,-2.4 49,-2.3 -2,-0.4 2,-0.3 -0.986 12.2 174.9-124.6 132.0 9.9 18.2 4.1 8 8 A G E +AB 55 89A 5 81,-2.2 81,-2.7 -2,-0.4 2,-0.3 -0.983 8.4 176.5-135.9 150.5 10.5 20.9 1.5 9 9 A S E -A 54 0A 0 45,-2.1 45,-3.4 -2,-0.3 78,-0.2 -0.959 19.6-161.4-150.2 138.8 10.8 21.1 -2.2 10 10 A N + 0 0 27 76,-1.7 77,-0.2 -2,-0.3 2,-0.1 0.231 53.6 122.1-101.5 14.8 11.3 24.1 -4.6 11 11 A L - 0 0 42 76,-0.3 -2,-0.1 75,-0.2 43,-0.1 -0.421 66.1-132.9 -77.0 148.8 10.1 22.3 -7.8 12 12 A A S S+ 0 0 71 1,-0.3 -1,-0.1 -2,-0.1 40,-0.1 0.805 111.5 30.7 -66.8 -30.2 7.3 23.6 -9.9 13 13 A S S S+ 0 0 105 1,-0.1 3,-0.4 2,-0.0 4,-0.3 -0.716 78.9 157.0-124.2 74.0 5.9 20.0 -9.9 14 14 A P > + 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.532 42.2 93.2 -80.5 -7.6 7.1 18.7 -6.5 15 15 A L H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.874 81.5 51.7 -64.1 -41.8 4.6 15.9 -5.9 16 16 A E H > S+ 0 0 126 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.953 116.1 41.2 -60.2 -47.0 6.6 13.0 -7.3 17 17 A Q H > S+ 0 0 7 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.913 116.8 48.0 -67.2 -40.9 9.7 13.8 -5.3 18 18 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 113.8 46.9 -63.6 -46.5 7.8 14.6 -2.1 19 19 A N H X S+ 0 0 85 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.900 111.6 51.6 -63.3 -37.5 5.7 11.5 -2.4 20 20 A A H X S+ 0 0 25 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.916 109.6 49.5 -66.9 -39.2 8.8 9.4 -3.0 21 21 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.910 111.2 50.0 -63.8 -40.7 10.5 10.9 -0.0 22 22 A L H X S+ 0 0 14 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 110.5 48.9 -64.0 -46.0 7.5 10.1 2.1 23 23 A K H X S+ 0 0 149 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.927 111.6 50.8 -56.2 -45.3 7.3 6.5 0.9 24 24 A A H < S+ 0 0 13 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.902 106.1 53.9 -63.4 -40.4 11.0 6.2 1.6 25 25 A L H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.927 108.4 50.4 -59.0 -43.5 10.6 7.6 5.2 26 26 A G H 3< S+ 0 0 20 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.5 54.7 -64.1 -29.7 7.9 4.9 5.9 27 27 A D T 3< S+ 0 0 110 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.372 77.2 121.0 -85.8 0.4 10.2 2.2 4.6 28 28 A I S X S- 0 0 3 -3,-1.4 3,-1.2 -4,-0.3 41,-0.0 -0.442 79.0 -93.3 -57.9 138.2 13.1 3.2 7.0 29 29 A P T 3 S+ 0 0 68 0, 0.0 35,-0.2 0, 0.0 34,-0.2 -0.275 106.2 7.8 -56.6 145.3 13.9 0.1 9.1 30 30 A E T 3 S+ 0 0 144 1,-0.2 33,-2.1 32,-0.1 2,-0.3 0.778 116.3 97.8 58.6 31.6 12.1 -0.2 12.4 31 31 A S E < +C 62 0A 17 -3,-1.2 2,-0.3 31,-0.2 31,-0.2 -0.966 44.7 177.9-144.8 156.2 9.9 2.8 11.5 32 32 A H E -C 61 0A 98 29,-2.1 29,-2.8 -2,-0.3 2,-0.3 -0.981 36.5 -94.4-158.4 155.6 6.5 3.8 10.1 33 33 A I E -C 60 0A 55 -2,-0.3 27,-0.3 27,-0.2 3,-0.1 -0.594 28.2-179.1 -74.1 133.3 4.6 6.9 9.3 34 34 A L E - 0 0 81 25,-3.2 2,-0.3 1,-0.3 26,-0.2 0.819 69.1 -12.0 -85.1 -58.6 2.1 8.2 11.9 35 35 A T E -C 59 0A 63 24,-1.4 24,-2.7 2,-0.0 2,-0.4 -0.995 52.6-152.3-152.1 141.9 0.7 11.2 10.1 36 36 A V E -C 58 0A 59 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.980 24.3-137.1-115.9 130.5 1.5 13.2 7.0 37 37 A S - 0 0 8 20,-2.8 85,-0.1 -2,-0.4 2,-0.0 -0.172 29.7 -85.4 -72.9 170.9 0.4 16.9 7.0 38 38 A S - 0 0 40 83,-0.1 2,-0.5 1,-0.1 19,-0.3 -0.274 50.1-105.1 -62.2 162.7 -1.2 18.8 4.2 39 39 A F - 0 0 34 17,-0.1 113,-2.9 -3,-0.1 2,-0.3 -0.880 38.8-158.3 -99.8 129.7 1.2 20.3 1.7 40 40 A Y E -DE 55 151A 32 15,-2.8 15,-2.5 -2,-0.5 2,-0.4 -0.765 9.4-134.3-112.0 152.8 1.7 24.1 2.0 41 41 A R E +D 54 0A 84 109,-2.9 109,-0.5 -2,-0.3 13,-0.2 -0.882 22.4 177.7-107.0 129.8 2.9 26.7 -0.4 42 42 A T E -D 53 0A 16 11,-2.3 11,-3.2 -2,-0.4 107,-0.0 -0.994 29.8-110.6-131.2 141.4 5.4 29.4 0.5 43 43 A P - 0 0 93 0, 0.0 9,-0.1 0, 0.0 0, 0.0 -0.206 40.4 -93.6 -70.5 158.7 6.9 32.1 -1.7 44 44 A P - 0 0 37 0, 0.0 8,-0.1 0, 0.0 6,-0.0 -0.253 22.5-134.7 -68.7 163.0 10.6 32.1 -2.9 45 45 A L S S+ 0 0 166 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.198 79.8 65.3-106.5 10.2 13.3 34.0 -0.9 46 46 A G S S- 0 0 25 2,-0.2 4,-0.1 1,-0.0 0, 0.0 -0.917 81.5-119.9-130.7 162.8 15.1 35.7 -3.8 47 47 A P S S+ 0 0 129 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.622 83.3 94.1 -78.3 -15.3 14.0 38.3 -6.3 48 48 A Q S S- 0 0 138 1,-0.1 2,-0.3 0, 0.0 -2,-0.2 -0.520 91.3 -90.9 -79.3 156.0 14.5 36.3 -9.4 49 49 A D + 0 0 168 -2,-0.1 -1,-0.1 -5,-0.0 0, 0.0 -0.439 65.9 137.1 -63.4 126.6 11.6 34.3 -10.9 50 50 A Q - 0 0 55 -2,-0.3 -39,-0.1 -4,-0.1 -4,-0.0 -0.969 52.6 -82.3-164.7 159.6 11.3 30.8 -9.4 51 51 A P - 0 0 55 0, 0.0 -39,-0.1 0, 0.0 2,-0.1 -0.131 47.8 -99.0 -66.4 162.1 8.6 28.5 -8.2 52 52 A D - 0 0 50 -9,-0.1 2,-0.4 -40,-0.1 -11,-0.0 -0.342 40.7-106.4 -67.8 161.9 7.1 28.5 -4.8 53 53 A Y E - D 0 42A 35 -11,-3.2 -11,-2.3 -2,-0.1 2,-0.5 -0.760 20.0-142.6 -92.6 140.8 8.2 26.1 -2.2 54 54 A L E -AD 9 41A 0 -45,-3.4 -45,-2.1 -2,-0.4 2,-0.4 -0.914 23.8-176.1 -94.8 133.6 6.2 23.1 -1.0 55 55 A N E +AD 8 40A 14 -15,-2.5 -15,-2.8 -2,-0.5 2,-0.3 -0.972 10.4 153.9-130.5 144.8 6.5 22.4 2.7 56 56 A A E -A 7 0A 2 -49,-2.3 -49,-2.4 -2,-0.4 2,-0.3 -0.922 26.8-135.4-152.9 175.2 5.0 19.6 4.9 57 57 A A E -A 6 0A 0 -19,-0.3 -20,-2.8 -2,-0.3 2,-0.4 -0.985 12.1-162.4-140.0 148.7 5.6 17.7 8.1 58 58 A V E -AC 5 36A 0 -53,-2.2 -53,-2.5 -2,-0.3 2,-0.6 -0.996 15.1-142.4-133.0 140.1 5.5 14.0 8.9 59 59 A A E -AC 4 35A 3 -24,-2.7 -25,-3.2 -2,-0.4 -24,-1.4 -0.939 26.8-172.9 -97.1 119.8 5.2 12.2 12.2 60 60 A L E -AC 3 33A 0 -57,-2.9 -57,-3.2 -2,-0.6 2,-0.4 -0.985 17.2-146.3-120.4 120.6 7.4 9.1 12.0 61 61 A E E +AC 2 32A 49 -29,-2.8 -29,-2.1 -2,-0.5 2,-0.3 -0.743 32.8 169.8 -78.0 133.2 7.5 6.4 14.7 62 62 A T E - C 0 31A 0 -61,-2.5 -31,-0.2 -2,-0.4 -32,-0.1 -0.999 43.1-162.0-148.4 146.4 11.0 4.9 14.9 63 63 A S + 0 0 87 -33,-2.1 -32,-0.1 -2,-0.3 -33,-0.1 0.377 67.6 107.7 -95.0 -3.2 13.1 2.6 17.1 64 64 A L S S- 0 0 23 -34,-0.3 -2,-0.1 -35,-0.2 -34,-0.0 -0.367 79.0-104.1 -73.2 157.6 16.3 4.0 15.5 65 65 A A >> - 0 0 44 1,-0.1 4,-2.3 -2,-0.1 3,-0.5 -0.454 37.1-107.5 -72.4 154.2 18.7 6.3 17.3 66 66 A P H 3> S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.879 120.5 49.4 -52.7 -42.7 18.5 9.9 16.2 67 67 A E H 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.880 109.1 53.6 -69.6 -29.1 21.8 9.9 14.3 68 68 A E H <> S+ 0 0 91 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.858 109.1 48.7 -64.4 -43.9 20.6 6.7 12.6 69 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.922 108.0 54.5 -65.2 -43.0 17.5 8.5 11.5 70 70 A L H X S+ 0 0 15 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.934 105.7 53.3 -53.3 -46.4 19.6 11.4 10.3 71 71 A N H X S+ 0 0 72 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.923 109.9 47.8 -58.9 -42.9 21.6 9.0 8.1 72 72 A H H X S+ 0 0 43 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.928 109.7 51.3 -67.8 -39.4 18.4 7.7 6.5 73 73 A T H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.907 112.1 47.6 -63.0 -36.2 17.0 11.2 5.9 74 74 A Q H X S+ 0 0 80 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.881 110.4 51.9 -71.3 -39.3 20.3 12.1 4.2 75 75 A R H X S+ 0 0 82 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.924 110.6 48.4 -56.4 -48.1 20.2 8.9 2.1 76 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.893 107.9 54.2 -65.3 -41.7 16.7 9.7 1.0 77 77 A E H X S+ 0 0 51 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.932 112.7 44.5 -53.3 -46.8 17.6 13.3 0.0 78 78 A L H < S+ 0 0 149 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.903 119.8 40.2 -65.9 -42.2 20.4 11.9 -2.1 79 79 A Q H < S+ 0 0 110 -4,-2.5 -2,-0.2 1,-0.1 -1,-0.2 0.833 126.9 30.0 -77.2 -37.3 18.3 9.1 -3.7 80 80 A Q H < S+ 0 0 59 -4,-2.9 2,-1.5 -5,-0.2 3,-0.2 0.627 96.3 87.2-102.2 -13.2 15.0 11.0 -4.2 81 81 A G >< + 0 0 15 -4,-1.8 3,-0.5 -5,-0.4 7,-0.2 -0.601 46.2 150.4 -87.9 72.1 16.3 14.6 -4.8 82 82 A R T 3 + 0 0 162 -2,-1.5 -1,-0.2 1,-0.2 6,-0.0 0.767 59.4 65.2 -75.6 -32.7 16.9 14.2 -8.5 83 83 A G T 3 S- 0 0 46 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.521 108.1-111.6 -73.9 -8.6 16.3 17.9 -9.4 84 90 A G < - 0 0 42 -3,-0.5 2,-0.4 2,-0.0 3,-0.3 -0.912 66.5 -1.3 120.1-143.0 19.3 19.2 -7.5 85 91 A P S S+ 0 0 109 0, 0.0 4,-0.1 0, 0.0 -76,-0.0 -0.827 127.9 13.6-103.0 130.8 19.5 21.3 -4.4 86 92 A R S S+ 0 0 139 -2,-0.4 -76,-1.7 2,-0.2 3,-0.3 0.206 98.9 104.8 85.6 -5.6 16.4 22.6 -2.5 87 93 A T S S+ 0 0 4 -3,-0.3 -76,-0.3 1,-0.3 2,-0.2 0.701 95.2 9.7 -77.7 -17.2 14.6 20.1 -4.7 88 94 A L S S+ 0 0 7 -4,-0.3 2,-0.5 -7,-0.2 -1,-0.3 -0.715 70.9 174.9-158.7 110.9 14.2 17.9 -1.7 89 95 A D E -B 8 0A 63 -81,-2.7 -81,-2.2 -3,-0.3 2,-0.5 -0.969 5.6-173.9-118.4 124.3 15.1 18.9 1.9 90 96 A L E +B 7 0A 5 -2,-0.5 2,-0.4 -83,-0.2 -83,-0.2 -0.986 9.7 178.0-116.5 123.1 14.4 16.6 4.9 91 97 A D E -B 6 0A 59 -85,-2.3 -85,-2.9 -2,-0.5 2,-0.7 -0.986 29.1-130.8-129.6 131.6 15.0 18.0 8.4 92 98 A I E +B 5 0A 8 -2,-0.4 -87,-0.2 -87,-0.2 14,-0.1 -0.647 28.4 174.9 -77.6 115.8 14.5 16.4 11.8 93 99 A M E + 0 0 0 -89,-2.9 16,-2.1 -2,-0.7 2,-0.3 0.919 64.3 1.1 -85.1 -51.4 12.6 19.0 13.8 94 100 A L E -B 4 0A 11 -90,-1.4 -90,-2.4 14,-0.2 2,-0.4 -0.969 54.3-161.8-139.0 149.8 11.9 17.0 17.0 95 101 A F E > -B 3 0A 5 3,-0.5 3,-2.4 -2,-0.3 -92,-0.3 -0.882 61.7 -66.0-137.5 100.9 12.8 13.5 18.2 96 102 A G T 3 S- 0 0 31 -94,-2.7 -1,-0.2 -2,-0.4 -92,-0.1 -0.311 100.3 -43.0 55.6-136.9 10.7 12.3 21.1 97 103 A N T 3 S+ 0 0 157 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.065 103.8 132.2-101.0 15.8 11.5 14.5 24.1 98 104 A E < - 0 0 99 -3,-2.4 2,-0.5 1,-0.0 -3,-0.5 -0.434 45.3-155.3 -83.1 143.3 15.2 14.4 23.4 99 105 A V - 0 0 87 -2,-0.1 2,-0.4 -5,-0.1 -2,-0.1 -0.986 19.5-175.8-111.5 122.8 17.5 17.4 23.3 100 106 A I E +F 107 0B 21 7,-2.9 7,-2.2 -2,-0.5 -2,-0.0 -0.972 22.0 170.9-128.0 135.1 20.6 16.9 21.1 101 107 A N E +F 106 0B 130 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.278 33.2 137.5-137.5 50.0 23.6 19.2 20.4 102 108 A T - 0 0 72 3,-1.9 -2,-0.1 1,-0.1 0, 0.0 -0.238 67.0 -96.0 -87.9 180.0 26.1 17.0 18.5 103 109 A E S S+ 0 0 194 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.920 122.2 29.7 -54.0 -54.1 28.2 17.9 15.6 104 110 A R S S+ 0 0 101 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.494 123.6 43.7 -91.2 -16.4 25.9 16.5 13.0 105 111 A L - 0 0 14 2,-0.0 -3,-1.9 4,-0.0 2,-0.5 -0.955 46.7-178.7-153.2 125.6 22.6 17.1 14.7 106 112 A T E -F 101 0B 60 -2,-0.4 4,-0.3 -5,-0.2 -5,-0.2 -0.980 25.8-146.0-123.0 121.9 20.9 19.7 16.7 107 113 A V E S+F 100 0B 2 -7,-2.2 -7,-2.9 -2,-0.5 2,-0.2 -0.998 84.4 44.8-131.4 127.9 17.4 18.8 18.0 108 114 A P S S- 0 0 30 0, 0.0 -14,-0.2 0, 0.0 -15,-0.1 0.529 116.0-101.1 -60.6 148.1 15.0 20.8 18.4 109 115 A H > - 0 0 20 -16,-2.1 3,-1.0 -2,-0.2 4,-0.3 -0.277 34.1-120.0 -49.0 134.9 15.9 22.1 14.9 110 116 A Y T 3 S+ 0 0 170 -4,-0.3 -1,-0.1 1,-0.3 -3,-0.1 0.657 102.3 23.9 -63.9 -21.7 17.9 25.3 15.6 111 117 A D T > S+ 0 0 45 1,-0.1 3,-2.1 2,-0.1 -1,-0.3 0.341 85.7 109.4-118.7 2.1 15.6 27.7 13.7 112 118 A M G X S+ 0 0 1 -3,-1.0 3,-1.9 1,-0.3 7,-0.3 0.780 72.4 61.2 -63.8 -28.3 12.2 25.9 13.7 113 119 A K G 3 S+ 0 0 42 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.563 106.2 50.9 -73.8 -5.4 10.4 28.3 16.1 114 120 A N G < S+ 0 0 96 -3,-2.1 2,-0.5 1,-0.1 -1,-0.3 0.270 95.9 82.5-105.5 5.1 11.1 31.1 13.6 115 121 A R X> - 0 0 49 -3,-1.9 4,-2.5 1,-0.1 3,-1.6 -0.918 50.7-171.5-126.2 106.0 9.8 29.3 10.6 116 122 A G H 3> S+ 0 0 10 -2,-0.5 4,-2.9 1,-0.3 -1,-0.1 0.821 89.2 63.7 -60.5 -33.9 6.0 29.3 9.8 117 123 A F H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 -77,-0.1 0.693 112.6 36.3 -70.5 -15.9 6.6 26.7 7.0 118 124 A M H <> S+ 0 0 6 -3,-1.6 4,-1.8 -6,-0.2 -2,-0.2 0.805 119.6 46.5 -88.5 -47.0 7.8 24.3 9.7 119 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -7,-0.3 5,-0.2 0.846 106.7 55.6 -71.3 -37.4 5.4 25.2 12.4 120 126 A W H X S+ 0 0 30 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.968 112.3 40.7 -64.4 -50.6 2.1 25.3 10.5 121 127 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.889 116.0 52.9 -63.7 -36.7 2.3 21.8 9.1 122 128 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.923 108.2 49.5 -60.8 -44.1 3.6 20.6 12.5 123 129 A F H < S+ 0 0 44 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.868 104.9 59.4 -65.0 -32.3 0.7 22.2 14.3 124 130 A E H < S+ 0 0 82 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.914 118.0 30.0 -60.0 -40.6 -1.7 20.6 11.8 125 131 A I H < S+ 0 0 26 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.585 135.2 27.9 -98.2 -11.7 -0.5 17.1 12.9 126 132 A A >< + 0 0 10 -4,-1.8 3,-1.8 -5,-0.1 -1,-0.2 -0.503 64.7 162.3-145.3 59.2 0.5 17.9 16.5 127 133 A P T 3 S+ 0 0 48 0, 0.0 11,-0.4 0, 0.0 -4,-0.1 0.773 78.1 47.9 -61.7 -24.8 -1.7 20.7 17.7 128 134 A E T 3 S+ 0 0 128 9,-0.1 -5,-0.1 10,-0.1 9,-0.0 0.212 82.1 142.1 -97.7 9.5 -1.0 20.0 21.4 129 135 A L < - 0 0 23 -3,-1.8 8,-2.6 -7,-0.1 9,-0.4 -0.238 33.0-163.3 -58.9 140.6 2.7 19.8 21.0 130 136 A V B -G 136 0C 79 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.990 16.7-129.5-123.0 130.9 4.9 21.2 23.8 131 137 A F > - 0 0 4 4,-3.2 3,-2.7 -2,-0.4 -34,-0.0 -0.294 31.2-100.5 -73.9 160.4 8.6 21.9 23.2 132 138 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.815 124.0 55.3 -51.8 -30.3 11.3 20.7 25.5 133 139 A D T 3 S- 0 0 106 2,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.412 123.7-102.8 -85.0 5.3 11.5 24.1 27.1 134 140 A G S < S+ 0 0 49 -3,-2.7 2,-0.3 1,-0.3 -1,-0.0 0.279 74.9 140.0 95.7 -12.6 7.7 24.1 27.9 135 141 A E - 0 0 44 -5,-0.1 -4,-3.2 1,-0.1 2,-0.4 -0.520 49.6-132.0 -68.9 131.1 6.6 26.4 25.1 136 142 A M B > -G 130 0C 98 -2,-0.3 4,-2.3 -6,-0.2 -6,-0.2 -0.664 4.9-138.4 -81.6 131.3 3.3 25.3 23.5 137 143 A L H > S+ 0 0 0 -8,-2.6 4,-2.3 -2,-0.4 5,-0.2 0.911 105.3 54.1 -53.6 -42.8 3.3 25.2 19.8 138 144 A R H > S+ 0 0 91 -9,-0.4 4,-0.5 -11,-0.4 -1,-0.2 0.901 108.8 49.1 -58.8 -40.4 -0.2 26.7 19.7 139 145 A Q H >> S+ 0 0 72 2,-0.2 3,-1.4 1,-0.2 4,-0.9 0.937 107.8 53.4 -65.1 -44.6 1.0 29.6 21.9 140 146 A I H >X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.3 3,-1.1 0.958 109.2 49.4 -58.3 -47.3 4.0 30.2 19.6 141 147 A L H 3< S+ 0 0 11 -4,-2.3 5,-0.3 1,-0.2 -1,-0.3 0.653 115.1 45.5 -67.2 -9.8 1.8 30.4 16.6 142 148 A H H << S+ 0 0 138 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.405 117.2 40.4-113.6 1.1 -0.5 32.9 18.5 143 149 A T H << S+ 0 0 104 -3,-1.1 2,-0.3 -4,-0.9 -2,-0.2 0.622 111.7 57.9-118.1 -27.4 2.0 35.1 19.9 144 150 A R S < S- 0 0 86 -4,-2.4 2,-0.7 -5,-0.3 -1,-0.1 -0.724 87.9-119.6 -98.5 150.1 4.3 35.3 16.9 145 151 A A + 0 0 102 -2,-0.3 2,-0.4 -3,-0.1 -29,-0.1 -0.871 39.6 167.1 -95.8 120.9 3.0 36.5 13.7 146 152 A F - 0 0 38 -2,-0.7 -31,-0.0 -5,-0.3 -2,-0.0 -0.999 41.5-111.7-131.2 125.7 3.4 33.9 11.0 147 153 A D - 0 0 139 -2,-0.4 2,-0.8 1,-0.1 -2,-0.0 -0.356 33.8-116.6 -55.1 133.8 1.7 34.3 7.7 148 154 A K - 0 0 162 -28,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.683 37.5-140.1 -72.0 110.3 -1.1 31.6 7.5 149 155 A L - 0 0 31 -2,-0.8 2,-0.1 -33,-0.1 -107,-0.1 -0.547 10.2-125.6 -80.2 143.5 0.2 29.6 4.5 150 156 A N - 0 0 127 -109,-0.5 -109,-2.9 -2,-0.2 2,-0.2 -0.399 30.2 -90.8 -83.2 158.6 -2.1 28.2 1.9 151 157 A K B E 40 0A 151 -111,-0.3 -111,-0.3 1,-0.1 -1,-0.1 -0.471 360.0 360.0 -58.1 135.1 -2.5 24.7 0.7 152 158 A W 0 0 70 -113,-2.9 -112,-0.2 -97,-0.2 -1,-0.1 0.874 360.0 360.0 -56.9 360.0 -0.2 23.8 -2.2