==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JUN-09 3HSZ . COMPND 2 MOLECULE: HPPK; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,Y.LI,H.YAN,X.JI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 96 60.8 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 . 38 24.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 7 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 2 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 63 0, 0.0 61,-2.6 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 139.9 -7.2 15.6 17.5 2 2 A V E -A 61 0A 39 59,-0.2 100,-2.7 61,-0.1 2,-0.4 -0.822 360.0-170.8 -90.7 117.2 -5.6 14.7 20.8 3 3 A A E -AB 60 101A 0 57,-3.0 57,-3.3 -2,-0.7 2,-0.5 -0.840 12.5-145.8-100.1 145.3 -7.4 16.3 23.7 4 4 A Y E -AB 59 100A 44 96,-2.4 95,-2.4 -2,-0.4 96,-1.4 -0.968 16.7-167.9-114.7 122.6 -5.9 16.1 27.2 5 5 A I E -AB 58 98A 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.4 -0.920 11.8-144.8-115.3 129.8 -8.5 15.9 30.0 6 6 A A E -AB 57 97A 8 91,-2.9 91,-2.4 -2,-0.4 2,-0.4 -0.792 13.4-160.8 -89.6 135.0 -7.8 16.3 33.7 7 7 A I E +AB 56 96A 4 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.971 14.2 171.8-114.3 133.1 -9.8 14.2 36.1 8 8 A G E +AB 55 95A 9 87,-2.2 87,-3.1 -2,-0.4 2,-0.3 -1.000 8.7 178.1-138.2 139.9 -10.1 15.1 39.8 9 9 A S E -A 54 0A 1 45,-1.8 45,-2.1 -2,-0.4 85,-0.2 -0.936 13.5-177.3-144.2 125.7 -12.2 13.7 42.6 10 10 A N + 0 0 16 83,-0.4 84,-0.1 82,-0.4 43,-0.1 -0.021 41.6 132.8-106.1 23.6 -12.2 14.8 46.2 11 11 A L - 0 0 39 82,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.443 69.4-121.2 -64.9 150.8 -14.6 12.2 47.4 12 12 A A S S+ 0 0 88 1,-0.3 -1,-0.1 39,-0.1 40,-0.1 0.799 115.7 33.4 -61.3 -27.0 -13.6 10.4 50.6 13 13 A S S S+ 0 0 81 1,-0.1 4,-0.4 38,-0.1 -1,-0.3 -0.717 79.9 144.0-132.1 80.1 -13.8 7.3 48.4 14 14 A P > + 0 0 4 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.773 44.8 81.8 -95.0 -36.9 -12.8 8.4 44.8 15 15 A L H > S+ 0 0 62 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.778 96.9 51.1 -46.7 -35.0 -10.8 5.5 43.1 16 16 A E H > S+ 0 0 141 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.947 111.5 43.7 -69.4 -52.0 -14.1 3.9 42.2 17 17 A Q H > S+ 0 0 62 -4,-0.4 4,-2.6 -3,-0.4 -2,-0.2 0.883 110.0 57.2 -63.3 -40.7 -15.8 6.9 40.7 18 18 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.930 106.4 49.6 -56.3 -45.1 -12.6 7.9 38.8 19 19 A N H X S+ 0 0 80 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.889 110.7 50.0 -62.0 -37.4 -12.7 4.4 37.1 20 20 A A H X S+ 0 0 37 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.862 109.3 52.1 -66.8 -36.1 -16.4 5.0 36.2 21 21 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 107.4 52.1 -65.9 -41.1 -15.4 8.4 34.8 22 22 A L H X S+ 0 0 23 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.914 108.5 50.7 -60.7 -43.8 -12.7 6.7 32.6 23 23 A K H X S+ 0 0 141 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.934 110.5 49.6 -58.1 -45.9 -15.3 4.2 31.3 24 24 A A H >< S+ 0 0 10 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.905 108.4 52.8 -61.3 -42.5 -17.6 7.1 30.4 25 25 A L H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.897 107.3 52.2 -58.8 -40.9 -14.8 9.0 28.7 26 26 A G H 3< S+ 0 0 33 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.618 104.5 58.0 -70.9 -13.1 -14.1 5.9 26.6 27 27 A D T << S+ 0 0 104 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.449 76.5 119.6 -95.4 -3.9 -17.8 5.7 25.6 28 28 A I S X S- 0 0 4 -3,-1.2 3,-0.9 -4,-0.4 41,-0.0 -0.435 72.6-107.1 -62.5 131.7 -17.7 9.2 24.1 29 29 A P T 3 S+ 0 0 63 0, 0.0 35,-0.2 0, 0.0 34,-0.1 -0.183 96.8 12.8 -59.9 153.1 -18.7 9.1 20.4 30 30 A E T 3 S+ 0 0 123 1,-0.2 33,-2.2 32,-0.1 34,-0.4 0.747 115.5 93.3 55.6 27.6 -16.1 9.6 17.7 31 31 A S E < -C 62 0A 19 -3,-0.9 2,-0.3 31,-0.2 31,-0.2 -0.962 49.6-172.9-146.2 156.2 -13.4 9.3 20.3 32 32 A H E -C 61 0A 97 29,-2.3 29,-2.5 -2,-0.3 2,-0.4 -0.981 33.1-107.2-149.8 151.1 -11.1 6.8 22.0 33 33 A I E -C 60 0A 50 -2,-0.3 27,-0.2 27,-0.2 3,-0.1 -0.629 26.6-175.7 -76.4 125.4 -8.7 6.9 25.0 34 34 A L E - 0 0 85 25,-3.1 2,-0.3 -2,-0.4 -1,-0.2 0.900 66.2 -20.5 -85.6 -50.7 -5.0 6.8 23.9 35 35 A T E -C 59 0A 61 24,-1.1 24,-2.8 0, 0.0 2,-0.4 -0.991 51.9-144.7-158.2 159.0 -3.5 6.6 27.3 36 36 A V E -C 58 0A 49 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.981 22.9-129.9-126.8 135.0 -4.2 7.3 31.0 37 37 A S - 0 0 8 20,-2.8 91,-0.1 -2,-0.4 2,-0.0 -0.143 36.9 -83.8 -70.3 172.9 -1.7 8.6 33.5 38 38 A S - 0 0 36 89,-0.1 2,-0.5 1,-0.1 19,-0.3 -0.303 52.7 -98.8 -62.9 162.7 -1.0 7.1 36.9 39 39 A F - 0 0 46 17,-0.1 119,-2.8 -3,-0.1 2,-0.3 -0.796 43.9-162.8 -89.1 130.3 -3.3 8.1 39.7 40 40 A Y E -DE 55 157A 22 15,-3.0 15,-2.5 -2,-0.5 2,-0.4 -0.763 11.1-136.5-114.0 159.6 -1.9 10.9 41.9 41 41 A R E -DE 54 156A 79 115,-2.9 115,-0.6 -2,-0.3 13,-0.2 -0.953 19.7-179.4-116.9 129.9 -2.7 12.1 45.3 42 42 A T E -D 53 0A 19 11,-2.1 11,-3.1 -2,-0.4 3,-0.1 -0.992 30.3-109.3-128.8 144.4 -2.9 15.8 46.2 43 43 A P - 0 0 86 0, 0.0 9,-0.1 0, 0.0 5,-0.1 -0.225 43.3 -89.1 -67.4 155.6 -3.7 17.3 49.6 44 44 A P - 0 0 8 0, 0.0 2,-0.7 0, 0.0 8,-0.1 -0.225 39.7-115.6 -57.4 152.6 -7.0 19.1 50.3 45 45 A L S S- 0 0 158 -3,-0.1 -3,-0.0 2,-0.0 3,-0.0 -0.866 85.4 -9.3 -95.7 112.3 -7.1 22.9 49.7 46 46 A G S S+ 0 0 47 -2,-0.7 2,-0.1 4,-0.0 4,-0.1 -0.922 122.5 44.6 108.5-126.0 -7.6 24.6 53.0 47 47 A P > - 0 0 82 0, 0.0 3,-0.6 0, 0.0 -2,-0.0 -0.374 68.5-148.0 -58.7 127.5 -8.6 22.6 56.1 48 48 A Q T 3 S+ 0 0 130 1,-0.2 4,-0.0 -2,-0.1 -2,-0.0 0.466 85.7 79.7 -82.5 -1.3 -6.3 19.5 56.2 49 49 A D T 3 S+ 0 0 131 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.010 78.8 92.3 -93.4 29.9 -8.9 17.3 57.9 50 50 A Q S < S- 0 0 100 -3,-0.6 -4,-0.0 1,-0.1 0, 0.0 -0.769 87.7 -81.1-115.9 164.9 -10.6 16.8 54.5 51 51 A P - 0 0 50 0, 0.0 -39,-0.1 0, 0.0 -1,-0.1 -0.275 45.2-110.2 -66.5 150.2 -10.1 14.0 51.9 52 52 A D - 0 0 49 -40,-0.1 2,-0.3 -9,-0.1 -11,-0.0 -0.362 31.9-113.1 -68.7 155.7 -7.2 14.0 49.4 53 53 A Y E - D 0 42A 47 -11,-3.1 -11,-2.1 -43,-0.1 2,-0.5 -0.717 16.6-143.3 -85.0 143.1 -7.8 14.6 45.8 54 54 A L E -AD 9 41A 0 -45,-2.1 -45,-1.8 -2,-0.3 2,-0.4 -0.961 27.4-171.6-100.9 124.3 -7.2 11.8 43.3 55 55 A N E +AD 8 40A 18 -15,-2.5 -15,-3.0 -2,-0.5 2,-0.3 -0.942 13.7 154.9-121.8 142.8 -5.8 13.4 40.1 56 56 A A E -A 7 0A 3 -49,-2.2 -49,-2.5 -2,-0.4 2,-0.3 -0.951 28.2-133.3-153.4 169.8 -5.1 11.9 36.7 57 57 A A E -A 6 0A 1 -19,-0.3 -20,-2.8 -2,-0.3 2,-0.4 -0.977 14.2-160.8-130.5 147.7 -4.8 12.9 33.0 58 58 A V E -AC 5 36A 0 -53,-2.4 -53,-2.7 -2,-0.3 2,-0.6 -0.988 11.5-147.3-129.9 132.7 -6.2 11.3 29.9 59 59 A A E -AC 4 35A 4 -24,-2.8 -25,-3.1 -2,-0.4 -24,-1.1 -0.919 23.6-172.3 -96.2 120.9 -5.2 11.6 26.3 60 60 A L E -AC 3 33A 0 -57,-3.3 -57,-3.0 -2,-0.6 2,-0.4 -0.962 16.7-148.6-121.5 117.2 -8.3 11.3 24.2 61 61 A E E +AC 2 32A 63 -29,-2.5 -29,-2.3 -2,-0.5 2,-0.3 -0.723 34.6 166.1 -80.2 129.3 -8.2 11.0 20.4 62 62 A T E - C 0 31A 1 -61,-2.6 -31,-0.2 -2,-0.4 -32,-0.1 -1.000 46.3-161.2-150.0 146.0 -11.3 12.6 19.0 63 63 A S + 0 0 82 -33,-2.2 -32,-0.1 -2,-0.3 -33,-0.1 0.319 66.4 111.6-103.5 3.6 -12.9 14.0 15.8 64 64 A L S S- 0 0 10 -34,-0.4 -2,-0.1 -35,-0.2 -34,-0.0 -0.378 77.0-107.5 -67.7 152.9 -15.5 16.0 17.9 65 65 A A >> - 0 0 31 1,-0.1 4,-2.2 -2,-0.1 3,-0.7 -0.493 36.8-105.1 -72.8 155.1 -15.3 19.8 17.9 66 66 A P H 3> S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.883 121.8 47.9 -52.2 -44.4 -14.0 21.3 21.1 67 67 A E H 3> S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.794 109.3 54.9 -71.3 -24.4 -17.5 22.4 22.3 68 68 A E H <> S+ 0 0 84 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.891 107.0 49.5 -71.3 -40.2 -18.9 19.0 21.4 69 69 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 3,-0.2 0.918 107.9 55.0 -63.0 -41.4 -16.3 17.3 23.6 70 70 A L H X S+ 0 0 17 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.900 100.8 59.3 -56.7 -41.1 -17.3 19.8 26.4 71 71 A N H X S+ 0 0 78 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.925 109.9 43.3 -52.3 -44.9 -20.9 18.7 26.0 72 72 A H H X S+ 0 0 38 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.900 112.7 49.0 -72.7 -42.2 -19.8 15.1 26.9 73 73 A T H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 113.6 48.7 -65.3 -37.5 -17.5 16.1 29.7 74 74 A Q H X S+ 0 0 79 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.915 110.9 50.6 -63.3 -44.5 -20.3 18.2 31.2 75 75 A R H X S+ 0 0 80 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.927 110.1 49.8 -58.5 -46.5 -22.8 15.4 30.8 76 76 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.897 108.3 52.5 -62.3 -40.7 -20.4 13.0 32.5 77 77 A E H X S+ 0 0 30 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.911 112.6 45.8 -59.9 -41.1 -19.9 15.4 35.4 78 78 A L H < S+ 0 0 120 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.855 118.9 41.1 -68.7 -36.1 -23.7 15.6 35.8 79 79 A Q H < S+ 0 0 122 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.844 126.3 30.7 -82.6 -34.5 -24.2 11.9 35.5 80 80 A Q H < S+ 0 0 74 -4,-3.0 2,-0.2 -5,-0.2 -3,-0.2 0.473 123.3 27.4-106.1 -7.5 -21.3 10.7 37.7 81 81 A G < - 0 0 13 -4,-1.5 2,-0.3 -5,-0.3 11,-0.0 -0.829 60.1-150.6-145.2-177.1 -20.9 13.5 40.2 82 82 A R - 0 0 160 -2,-0.2 11,-2.4 -3,-0.0 12,-0.3 -0.945 26.6 -96.4-151.9 166.7 -22.7 16.2 42.0 83 83 A V - 0 0 49 -2,-0.3 2,-0.4 9,-0.2 5,-0.2 -0.480 51.2 -96.1 -80.1 164.4 -22.3 19.7 43.6 84 84 A R B > -F 87 0B 73 3,-0.6 3,-1.8 7,-0.2 6,-0.2 -0.701 30.9-128.2 -86.8 133.9 -21.7 19.9 47.3 85 85 A K T 3 S+ 0 0 181 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.900 102.4 33.2 -47.6 -64.2 -24.9 20.5 49.4 86 86 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.048 127.7 40.5 -88.4 27.6 -23.9 23.5 51.5 87 87 A E B X +F 84 0B 86 -3,-1.8 3,-2.1 3,-0.1 -3,-0.6 -0.198 60.7 176.4-169.4 63.6 -21.7 25.1 48.8 88 88 A R T 3 S+ 0 0 201 -3,-0.5 -3,-0.1 1,-0.3 -2,-0.1 0.428 80.3 54.9 -61.0 4.2 -23.3 24.7 45.3 89 89 A W T 3 S+ 0 0 206 -5,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.525 88.2 90.0-113.7 -10.0 -20.4 26.7 43.8 90 90 A G S < S- 0 0 18 -3,-2.1 -6,-0.1 1,-0.2 -3,-0.1 0.045 94.7 -50.1 -75.8-171.7 -17.3 24.8 44.9 91 91 A P - 0 0 52 0, 0.0 -7,-0.2 0, 0.0 -1,-0.2 -0.333 60.3-122.8 -59.3 141.7 -15.6 21.8 43.2 92 92 A R - 0 0 53 -9,-0.1 -82,-0.4 -3,-0.1 -9,-0.2 -0.296 28.9-103.5 -74.1 170.6 -18.0 19.1 42.1 93 93 A T S S+ 0 0 8 -11,-2.4 -82,-0.5 1,-0.2 -83,-0.4 0.768 114.1 33.8 -68.9 -22.6 -17.4 15.6 43.4 94 94 A L S S- 0 0 1 -12,-0.3 2,-0.5 -85,-0.2 -1,-0.2 -0.968 74.7-166.7-136.2 118.1 -16.0 14.8 40.0 95 95 A D E -B 8 0A 40 -87,-3.1 -87,-2.2 -2,-0.4 2,-0.5 -0.916 7.1-178.9-107.3 127.1 -14.1 17.3 37.9 96 96 A L E -B 7 0A 5 -2,-0.5 2,-0.5 -89,-0.2 -89,-0.2 -0.976 12.4-177.5-120.7 113.5 -13.4 16.7 34.2 97 97 A D E -B 6 0A 46 -91,-2.4 -91,-2.9 -2,-0.5 2,-1.0 -0.943 28.0-135.5-115.8 130.2 -11.4 19.6 32.6 98 98 A I E +B 5 0A 10 -2,-0.5 -93,-0.2 -93,-0.2 3,-0.1 -0.726 28.9 175.4 -78.1 105.3 -10.3 19.9 29.0 99 99 A M E + 0 0 0 -95,-2.4 16,-1.9 -2,-1.0 2,-0.3 0.929 63.9 2.1 -77.1 -48.2 -6.7 21.1 29.5 100 100 A L E -B 4 0A 5 -96,-1.4 -96,-2.4 14,-0.2 2,-0.4 -0.978 51.9-161.2-141.9 149.8 -5.7 21.1 25.9 101 101 A F E > -B 3 0A 2 3,-0.5 3,-2.5 1,-0.4 -98,-0.3 -0.846 65.7 -69.3-134.4 96.1 -7.4 20.4 22.5 102 102 A G T 3 S- 0 0 29 -100,-2.7 -1,-0.4 -2,-0.4 -98,-0.1 -0.304 99.5 -41.8 48.9-136.2 -4.7 19.7 19.9 103 103 A N T 3 S+ 0 0 119 -3,-0.1 -1,-0.3 34,-0.1 2,-0.1 0.126 103.8 132.4-101.9 19.5 -3.0 23.0 19.4 104 104 A E < - 0 0 81 -3,-2.5 -3,-0.5 1,-0.0 2,-0.5 -0.433 45.4-153.2 -77.8 143.3 -6.2 25.0 19.4 105 105 A V - 0 0 90 -2,-0.1 2,-0.4 33,-0.1 -2,-0.1 -0.980 18.8-176.8-112.9 127.9 -6.7 28.1 21.4 106 106 A I E +G 113 0C 24 7,-2.9 7,-2.4 -2,-0.5 2,-0.2 -0.991 18.6 171.2-133.7 130.3 -10.3 28.7 22.4 107 107 A N E +G 112 0C 123 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.653 30.7 135.1-139.0 77.1 -11.8 31.7 24.3 108 108 A T - 0 0 83 3,-2.9 -2,-0.1 -2,-0.2 0, 0.0 -0.699 68.5 -95.4-119.5 172.9 -15.6 31.4 24.2 109 109 A E S S+ 0 0 207 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.895 124.5 31.7 -53.2 -43.7 -18.4 31.9 26.8 110 110 A R S S+ 0 0 112 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.778 123.3 37.2 -85.0 -29.2 -18.6 28.1 27.4 111 111 A L - 0 0 16 2,-0.0 -3,-2.9 4,-0.0 2,-0.5 -0.979 46.2-176.3-143.6 128.4 -15.0 27.1 26.9 112 112 A T E -G 107 0C 64 -2,-0.4 4,-0.3 -5,-0.2 -5,-0.2 -0.984 26.0-148.1-122.2 120.3 -11.4 28.3 27.5 113 113 A V E S+G 106 0C 1 -7,-2.4 -7,-2.9 -2,-0.5 2,-0.2 -0.998 79.8 43.4-135.7 135.3 -8.5 26.2 26.2 114 114 A P S S- 0 0 29 0, 0.0 -14,-0.2 0, 0.0 -15,-0.1 0.548 113.4 -98.9 -59.8 155.6 -5.8 25.8 27.3 115 115 A H > - 0 0 21 -16,-1.9 3,-1.1 -2,-0.2 4,-0.4 -0.268 35.0-122.4 -50.1 134.1 -7.3 25.6 30.8 116 116 A Y T 3 S+ 0 0 174 -4,-0.3 -1,-0.2 1,-0.3 3,-0.1 0.684 101.9 26.2 -61.3 -23.4 -6.8 29.0 32.3 117 117 A D T > S+ 0 0 42 1,-0.1 3,-2.2 2,-0.1 4,-0.3 0.359 84.3 108.7-121.9 4.2 -4.8 27.9 35.3 118 118 A M G X S+ 0 0 2 -3,-1.1 3,-1.7 1,-0.3 7,-0.4 0.808 72.7 62.5 -61.7 -32.1 -3.1 24.6 34.3 119 119 A K G 3 S+ 0 0 38 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.611 106.0 48.6 -70.5 -7.7 0.4 26.1 34.1 120 120 A N G < S+ 0 0 101 -3,-2.2 2,-0.6 1,-0.1 -1,-0.3 0.367 97.6 84.5-105.8 0.7 0.2 26.8 37.8 121 121 A R X> - 0 0 83 -3,-1.7 4,-2.8 -4,-0.3 3,-1.1 -0.889 48.5-173.7-117.5 108.3 -1.1 23.4 38.8 122 122 A G H 3> S+ 0 0 12 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.832 89.6 67.7 -59.8 -32.4 1.2 20.5 39.5 123 123 A A H 34 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.2 -83,-0.1 0.778 112.9 30.6 -59.7 -28.6 -1.9 18.4 39.9 124 124 A M H <> S+ 0 0 11 -3,-1.1 4,-1.6 -6,-0.2 -2,-0.2 0.843 120.3 49.9 -92.7 -46.9 -2.5 18.9 36.1 125 125 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -7,-0.4 -3,-0.2 0.866 106.0 53.1 -66.8 -39.2 1.1 19.2 34.8 126 126 A W H X S+ 0 0 37 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.950 111.8 42.8 -67.9 -48.1 2.6 16.1 36.4 127 127 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.895 115.4 52.5 -62.3 -36.7 0.1 13.6 35.1 128 128 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.918 107.7 50.9 -61.6 -42.6 0.2 15.3 31.8 129 129 A F H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.829 104.7 58.2 -65.7 -33.0 4.0 15.1 31.7 130 130 A E H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.897 118.0 30.9 -63.0 -39.6 3.8 11.3 32.4 131 131 A I H < S+ 0 0 30 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.639 136.0 24.5 -95.9 -15.2 1.7 10.7 29.3 132 132 A A >< + 0 0 11 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.441 63.4 162.2-146.5 65.3 3.0 13.5 27.0 133 133 A P T 3 S+ 0 0 48 0, 0.0 11,-0.3 0, 0.0 -4,-0.1 0.759 79.2 51.1 -62.4 -23.6 6.6 14.4 28.1 134 134 A E T 3 S+ 0 0 129 9,-0.1 -5,-0.1 10,-0.1 -2,-0.0 0.272 81.7 142.1 -96.0 11.4 7.4 16.1 24.8 135 135 A L < - 0 0 19 -3,-1.9 8,-2.5 -7,-0.1 9,-0.4 -0.216 32.8-164.6 -60.9 136.8 4.2 18.3 24.9 136 136 A V B -H 142 0D 69 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.990 19.0-127.3-119.8 131.1 4.5 21.8 23.6 137 137 A F > - 0 0 2 4,-3.3 3,-2.3 -2,-0.4 -34,-0.1 -0.276 29.6-103.0 -70.9 161.8 1.7 24.3 24.4 138 138 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.784 122.8 56.9 -57.5 -27.7 -0.1 26.3 21.7 139 139 A D T 3 S- 0 0 103 2,-0.1 3,-0.1 1,-0.0 -2,-0.0 0.409 123.8-103.5 -85.0 2.1 2.0 29.4 22.7 140 140 A G S < S+ 0 0 49 -3,-2.3 2,-0.2 1,-0.3 -1,-0.0 0.249 75.5 139.0 98.7 -13.1 5.2 27.5 22.1 141 141 A E - 0 0 68 -5,-0.1 -4,-3.3 1,-0.1 2,-0.4 -0.442 50.4-128.3 -67.3 137.4 6.1 26.8 25.7 142 142 A M B > -H 136 0D 84 -6,-0.2 4,-2.2 -2,-0.2 3,-0.4 -0.713 2.9-140.1 -89.8 133.0 7.4 23.4 26.5 143 143 A L H > S+ 0 0 0 -8,-2.5 4,-2.3 -2,-0.4 5,-0.2 0.904 105.4 54.5 -53.6 -43.2 5.8 21.3 29.2 144 144 A R H > S+ 0 0 89 -9,-0.4 4,-1.7 -11,-0.3 -1,-0.2 0.867 108.2 48.8 -59.8 -38.0 9.3 20.1 30.3 145 145 A Q H > S+ 0 0 96 -3,-0.4 4,-3.3 2,-0.2 5,-0.4 0.895 108.6 52.9 -73.8 -37.6 10.6 23.7 30.6 146 146 A I H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 6,-0.2 0.951 111.9 45.2 -59.7 -49.5 7.5 24.8 32.7 147 147 A L H <>S+ 0 0 10 -4,-2.3 5,-1.1 -5,-0.2 4,-0.3 0.860 119.4 42.5 -62.9 -35.1 8.1 22.0 35.2 148 148 A H H <5S+ 0 0 155 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.935 117.4 43.0 -78.5 -49.6 11.8 22.7 35.3 149 149 A T H <5S+ 0 0 96 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.895 117.7 45.1 -62.4 -44.2 11.8 26.5 35.4 150 150 A R T <5S- 0 0 105 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.547 101.3-139.3 -83.8 -6.2 8.9 26.7 37.9 151 151 A A T 5 - 0 0 73 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.863 26.2-166.0 54.7 45.6 10.6 24.0 40.0 152 152 A F < - 0 0 47 -5,-1.1 2,-0.3 -6,-0.2 -1,-0.1 -0.274 19.5-119.7 -59.2 144.0 7.3 22.1 40.9 153 153 A D - 0 0 140 1,-0.1 -1,-0.1 0, 0.0 2,-0.0 -0.659 35.0-112.1 -76.5 142.2 7.3 19.6 43.7 154 154 A K - 0 0 165 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.299 28.3-118.8 -69.5 161.5 6.3 16.1 42.4 155 155 A L - 0 0 35 -33,-0.1 2,-0.1 -113,-0.0 -113,-0.1 -0.795 22.4-116.4-100.2 146.1 3.1 14.5 43.5 156 156 A N E -E 41 0A 127 -115,-0.6 -115,-2.9 -2,-0.3 2,-0.1 -0.488 35.9-105.9 -71.5 150.0 2.8 11.3 45.5 157 157 A K E E 40 0A 114 -117,-0.3 -117,-0.3 -2,-0.1 -1,-0.1 -0.467 360.0 360.0 -72.1 150.0 1.0 8.4 43.7 158 158 A W 0 0 102 -119,-2.8 -118,-0.2 -103,-0.2 -1,-0.1 0.909 360.0 360.0 -61.2 360.0 -2.5 7.5 44.9