==== 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 OXIDOREDUCTASE 21-APR-99 1CJ4 . COMPND 2 MOLECULE: PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.H.M.EPPINK,K.M.OVERKAMP,H.A.SCHREUDER,W.J.H.VAN BERKEL . 392 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.3 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 2 1 0 0 1 0 1 2 0 0 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 0 3 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 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 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 0 106 0, 0.0 150,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 157.0 22.6 105.6 84.3 2 2 A K B +a 151 0A 116 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.949 360.0 161.3-136.0 153.1 20.2 102.6 84.2 3 3 A T - 0 0 11 148,-1.7 150,-0.2 -2,-0.3 3,-0.2 -0.913 41.5-117.5-156.7 176.5 17.7 101.2 81.8 4 4 A Q S S+ 0 0 51 23,-0.8 149,-2.5 1,-0.3 150,-1.9 0.922 98.6 22.6 -89.1 -54.8 16.0 97.9 81.3 5 5 A V E -de 28 154B 1 22,-2.0 24,-1.7 148,-0.2 2,-0.5 -0.953 68.6-156.7-119.2 117.4 17.3 97.0 77.8 6 6 A A E -de 29 155B 0 148,-2.8 150,-2.8 -2,-0.5 2,-0.5 -0.821 12.7-160.5 -92.0 131.1 20.5 98.4 76.4 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.9 -2,-0.5 2,-0.6 -0.970 6.4-152.6-118.0 124.8 20.6 98.3 72.6 8 8 A I E +de 31 157B 7 148,-2.3 150,-1.7 -2,-0.5 24,-0.2 -0.870 66.2 26.2 -99.0 116.8 23.9 98.6 70.6 9 9 A G - 0 0 7 22,-3.6 23,-0.2 -2,-0.6 2,-0.2 0.425 59.7-138.0 102.9 123.4 23.4 100.1 67.1 10 10 A A + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.341 63.5 116.8-104.7 45.0 20.8 102.5 65.7 11 11 A G S > S- 0 0 13 147,-0.5 4,-2.2 -2,-0.2 5,-0.3 -0.330 91.9 -73.7 -92.4-169.7 20.3 100.8 62.3 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.884 130.7 56.6 -56.5 -39.7 16.9 99.4 61.5 13 13 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.961 113.4 37.1 -55.4 -59.7 17.3 96.4 63.9 14 14 A G H > S+ 0 0 0 144,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.880 118.1 49.6 -63.3 -40.4 17.9 98.5 67.0 15 15 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.917 113.4 46.3 -66.3 -42.2 15.5 101.2 66.2 16 16 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.914 115.1 46.4 -66.8 -43.0 12.7 98.8 65.4 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.921 113.8 49.6 -63.7 -43.4 13.4 96.8 68.6 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.800 110.7 49.4 -66.1 -31.3 13.6 100.0 70.6 19 19 A Q H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.929 112.4 46.6 -72.9 -48.7 10.3 101.3 69.1 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.951 115.4 46.0 -57.0 -52.1 8.4 98.1 69.9 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 2,-0.2 4,-0.3 0.905 112.2 49.8 -59.6 -47.0 9.7 97.9 73.4 22 22 A H H ><5S+ 0 0 59 -4,-1.8 3,-2.3 1,-0.2 -1,-0.2 0.958 108.8 53.5 -59.0 -47.7 9.1 101.6 74.2 23 23 A K H 3<5S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.7 50.1 -54.6 -36.3 5.5 101.2 72.9 24 24 A A T 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.377 124.6-102.5 -84.4 3.3 5.1 98.2 75.3 25 25 A G T < 5S+ 0 0 54 -3,-2.3 2,-0.7 -4,-0.3 -3,-0.2 0.613 79.3 131.6 87.6 12.9 6.4 100.2 78.3 26 26 A I < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.873 53.9-133.1-103.4 112.4 9.9 98.7 78.5 27 27 A D + 0 0 93 -2,-0.7 -22,-2.0 -3,-0.1 -23,-0.8 -0.429 31.4 173.1 -68.5 137.3 12.6 101.4 78.7 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.4 -2,-0.1 2,-0.4 -0.968 22.5-148.8-143.9 151.6 15.5 101.0 76.4 29 29 A V E -d 6 0B 5 -24,-1.7 -22,-3.1 -2,-0.3 2,-0.5 -0.985 12.5-149.1-122.8 135.4 18.6 103.1 75.5 30 30 A I E -df 7 120B 0 89,-1.7 91,-2.9 -2,-0.4 2,-0.5 -0.928 7.2-163.1-108.1 128.8 20.2 102.9 72.1 31 31 A L E -df 8 121B 1 -24,-2.9 -22,-3.6 -2,-0.5 2,-0.4 -0.953 9.9-172.9-110.8 123.0 24.0 103.5 71.7 32 32 A E - 0 0 11 89,-2.9 92,-2.6 -2,-0.5 91,-0.1 -0.982 22.3-150.3-124.3 131.5 25.3 104.3 68.2 33 33 A R S S+ 0 0 146 -2,-0.4 -1,-0.1 90,-0.2 89,-0.0 0.864 80.0 33.1 -62.2 -43.1 28.9 104.6 67.2 34 34 A T S S- 0 0 23 89,-0.1 89,-2.5 1,-0.1 90,-0.2 0.028 92.5 -77.3-100.2-157.0 28.3 107.2 64.4 35 35 A T > - 0 0 35 87,-0.2 4,-2.1 88,-0.1 5,-0.2 -0.710 37.0-110.2-105.5 159.4 26.0 110.1 63.5 36 36 A P H > S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.887 119.5 55.5 -54.3 -35.6 22.4 110.2 62.3 37 37 A D H > S+ 0 0 128 2,-0.2 4,-0.6 1,-0.2 -3,-0.0 0.910 104.6 49.9 -63.5 -47.4 23.7 111.4 59.0 38 38 A Y H >4 S+ 0 0 141 1,-0.2 3,-1.3 2,-0.2 4,-0.5 0.930 111.3 49.7 -60.8 -43.7 26.1 108.6 58.5 39 39 A V H >< S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.949 109.3 52.5 -60.8 -44.4 23.3 106.1 59.2 40 40 A L H 3< S+ 0 0 53 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.526 97.0 68.2 -71.4 -5.3 21.0 107.9 56.7 41 41 A G T << S+ 0 0 50 -3,-1.3 2,-0.5 -4,-0.6 -1,-0.3 0.652 74.1 99.7 -87.3 -16.6 23.6 107.7 54.0 42 42 A R < - 0 0 51 -3,-1.5 -3,-0.0 -4,-0.5 -4,-0.0 -0.612 50.0-173.9 -75.1 120.0 23.4 103.9 53.6 43 43 A I + 0 0 24 -2,-0.5 59,-0.5 59,-0.1 60,-0.5 0.971 35.7 128.8 -75.9 -62.3 21.1 103.0 50.6 44 44 A R + 0 0 127 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.075 48.5 41.6 47.4-128.7 20.9 99.2 51.0 45 45 A A + 0 0 25 1,-0.1 57,-2.6 56,-0.1 58,-0.3 -0.064 37.2 163.9 -55.1 150.8 17.6 97.4 51.0 46 46 A G + 0 0 7 55,-0.2 54,-1.8 1,-0.2 2,-0.5 0.501 59.5 74.7-136.5 -23.5 14.6 98.0 48.8 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.888 55.5-175.2-107.8 124.3 12.4 94.9 49.2 48 48 A L E -I 98 0C 0 50,-3.0 50,-3.0 -2,-0.5 2,-0.1 -0.910 19.3-130.7-116.5 139.1 10.4 94.2 52.4 49 49 A E E >> -I 97 0C 4 -2,-0.4 4,-2.3 48,-0.2 3,-0.6 -0.436 29.7-108.7 -81.6 163.1 8.3 91.1 53.3 50 50 A Q H 3> S+ 0 0 63 336,-0.6 4,-2.5 46,-0.5 5,-0.2 0.841 120.4 58.1 -60.9 -33.4 4.7 91.3 54.5 51 51 A G H 3> S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.851 106.2 47.4 -65.1 -37.3 5.9 90.3 58.0 52 52 A M H <> S+ 0 0 1 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.917 111.5 53.0 -67.1 -44.8 8.3 93.3 58.1 53 53 A V H X S+ 0 0 13 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.897 110.6 45.3 -58.2 -44.5 5.4 95.5 56.9 54 54 A D H X S+ 0 0 56 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.870 109.8 55.6 -70.4 -32.5 3.1 94.3 59.7 55 55 A L H X S+ 0 0 3 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.876 107.3 49.5 -67.5 -35.7 5.8 94.7 62.3 56 56 A L H <>S+ 0 0 2 -4,-2.0 5,-2.9 2,-0.2 -1,-0.2 0.821 110.2 51.2 -70.7 -32.3 6.2 98.4 61.3 57 57 A R H ><5S+ 0 0 132 -4,-1.3 3,-1.5 3,-0.2 -2,-0.2 0.924 109.5 49.7 -69.8 -41.8 2.5 98.8 61.6 58 58 A E H 3<5S+ 0 0 80 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.875 108.7 52.3 -63.8 -37.6 2.5 97.3 65.0 59 59 A A T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.440 117.1-119.1 -77.0 -2.8 5.4 99.7 66.0 60 60 A G T < 5S+ 0 0 47 -3,-1.5 -3,-0.2 -5,-0.1 3,-0.2 0.725 82.8 113.3 71.1 27.7 3.2 102.5 64.7 61 61 A V < + 0 0 13 -5,-2.9 -4,-0.1 -6,-0.1 4,-0.1 -0.444 39.8 97.4-125.5 58.4 5.6 103.6 62.0 62 62 A D > + 0 0 44 -5,-0.2 4,-3.3 2,-0.1 5,-0.3 0.475 46.2 98.4-124.5 -0.5 3.7 102.8 58.8 63 63 A R H > S+ 0 0 153 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.959 93.9 35.7 -51.6 -65.7 2.0 106.1 57.7 64 64 A R H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.846 118.4 53.8 -59.9 -34.5 4.6 107.1 55.1 65 65 A M H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 106.0 50.8 -68.6 -42.5 5.2 103.5 54.1 66 66 A A H < S+ 0 0 77 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.792 118.8 41.1 -64.6 -27.0 1.6 102.8 53.4 67 67 A R H < S+ 0 0 148 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.909 127.0 25.9 -86.1 -51.0 1.6 105.9 51.3 68 68 A D H < S+ 0 0 70 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.609 95.2 102.8 -92.4 -18.4 4.9 105.8 49.4 69 69 A G < - 0 0 18 -4,-2.4 2,-0.5 -5,-0.4 31,-0.2 -0.371 63.8-137.4 -68.1 149.1 5.6 102.0 49.4 70 70 A L E -J 99 0C 52 29,-2.3 29,-3.2 144,-0.1 2,-0.5 -0.942 10.0-144.0-109.4 121.7 5.0 100.1 46.2 71 71 A V E -J 98 0C 90 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.774 17.7-158.1 -88.0 121.9 3.3 96.7 46.6 72 72 A H E -J 97 0C 9 25,-3.0 25,-1.9 -2,-0.5 126,-0.1 -0.897 18.4-175.4-104.6 135.0 4.7 94.2 44.0 73 73 A E + 0 0 92 -2,-0.4 16,-1.7 23,-0.2 15,-0.9 0.421 69.4 15.7-106.0 -3.0 2.8 91.1 43.0 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.975 55.5-153.9-161.1 168.3 5.4 89.6 40.8 75 75 A V E -K 86 0D 4 11,-1.6 11,-3.2 -2,-0.3 2,-0.4 -0.920 18.7-132.2-141.2 165.4 9.1 89.6 39.8 76 76 A E E -Kl 85 200D 20 123,-2.2 125,-3.0 -2,-0.3 2,-0.4 -0.955 8.3-162.0-130.2 143.7 10.9 88.6 36.6 77 77 A I E -Kl 84 201D 9 7,-2.8 7,-3.2 -2,-0.4 2,-0.5 -0.993 11.2-162.0-121.5 128.4 13.9 86.4 35.8 78 78 A A E +Kl 83 202D 4 123,-2.6 125,-2.8 -2,-0.4 2,-0.3 -0.956 24.6 144.3-115.1 129.0 15.6 86.8 32.4 79 79 A F E > +K 82 0D 7 3,-1.9 3,-3.2 -2,-0.5 125,-0.1 -0.972 58.9 7.3-157.6 155.4 17.9 84.1 31.1 80 80 A A T 3 S- 0 0 62 123,-0.3 3,-0.1 1,-0.3 124,-0.1 0.755 130.1 -50.3 37.6 46.3 18.9 82.5 27.8 81 81 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.344 118.9 105.0 81.1 -6.5 16.8 85.0 25.7 82 82 A Q E < -K 79 0D 66 -3,-3.2 -3,-1.9 2,-0.0 2,-0.4 -0.689 54.6-155.5-109.0 159.1 13.7 84.5 27.8 83 83 A R E -K 78 0D 84 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.967 16.8-171.1-133.2 110.1 12.0 86.6 30.4 84 84 A R E -K 77 0D 81 -7,-3.2 -7,-2.8 -2,-0.4 2,-0.4 -0.919 9.9-148.9-109.3 131.4 9.8 84.7 32.9 85 85 A R E -K 76 0D 108 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.795 3.5-150.1 -99.0 136.8 7.5 86.3 35.4 86 86 A I E -K 75 0D 1 -11,-3.2 -11,-1.6 -2,-0.4 2,-1.3 -0.943 10.5-145.3-105.9 118.1 6.8 84.8 38.7 87 87 A D E > -K 74 0D 43 -2,-0.6 4,-2.6 -13,-0.2 -13,-0.2 -0.761 21.1-179.7 -84.4 93.4 3.3 85.7 40.0 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.3 -15,-0.9 7,-0.4 0.895 76.8 54.1 -61.2 -46.2 4.1 85.9 43.7 89 89 A K H >>S+ 0 0 84 -16,-1.7 5,-4.1 5,-0.2 4,-0.6 0.958 116.3 36.8 -55.4 -53.1 0.6 86.8 44.7 90 90 A R H >45S+ 0 0 130 -17,-0.3 3,-0.5 3,-0.2 -2,-0.2 0.919 121.2 44.0 -70.0 -45.1 -1.0 83.8 42.9 91 91 A L H 3<5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 292,-0.2 0.746 115.9 45.8 -76.0 -21.6 1.7 81.2 43.6 92 92 A S H 3<5S- 0 0 19 -4,-2.3 -1,-0.2 3,-0.3 -2,-0.2 0.467 121.3 -98.8 -98.9 -2.1 2.2 82.1 47.3 93 93 A G T <<5S- 0 0 68 -4,-0.6 -3,-0.2 -3,-0.5 -4,-0.1 0.897 83.9 -39.3 87.4 45.1 -1.5 82.2 48.2 94 94 A G S - 0 0 1 113,-0.3 4,-1.8 -2,-0.3 3,-0.5 -0.179 14.7-127.7 -58.9 149.4 13.9 101.9 50.7 102 102 A Q H > S+ 0 0 16 -57,-2.6 4,-2.5 -59,-0.5 5,-0.2 0.799 110.3 61.7 -66.2 -28.7 15.8 101.1 53.9 103 103 A T H > S+ 0 0 25 -60,-0.5 4,-2.4 -58,-0.3 -1,-0.2 0.898 105.9 46.9 -62.4 -40.6 16.8 104.7 54.2 104 104 A E H > S+ 0 0 45 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.913 110.9 49.7 -67.1 -46.8 13.1 105.6 54.5 105 105 A V H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.912 113.6 47.5 -58.2 -44.3 12.4 102.9 57.0 106 106 A T H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.931 111.5 50.0 -64.1 -45.2 15.3 104.2 59.1 107 107 A R H X S+ 0 0 62 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.891 111.1 49.4 -60.6 -43.1 14.2 107.8 58.8 108 108 A D H X S+ 0 0 15 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.871 113.0 46.7 -64.5 -40.9 10.7 106.9 59.9 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.902 110.6 52.3 -68.6 -39.9 12.0 105.0 62.9 110 110 A M H X S+ 0 0 29 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.889 111.3 46.9 -63.5 -39.9 14.4 107.8 63.8 111 111 A E H X S+ 0 0 84 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.884 110.6 51.5 -69.9 -39.2 11.6 110.4 63.8 112 112 A A H X S+ 0 0 27 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.894 113.4 45.4 -65.6 -36.2 9.3 108.2 65.8 113 113 A R H X>S+ 0 0 3 -4,-2.2 4,-1.1 2,-0.2 5,-1.0 0.934 109.7 54.5 -71.8 -44.8 12.0 107.7 68.4 114 114 A E H ><5S+ 0 0 161 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.937 112.7 44.2 -52.1 -49.8 12.9 111.4 68.5 115 115 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.5 58.8 -66.7 -37.1 9.2 112.3 69.2 116 116 A S H 3<5S- 0 0 43 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.713 103.7-128.2 -67.2 -20.8 8.7 109.6 71.8 117 117 A G T <<5 + 0 0 63 -4,-1.1 2,-0.2 -3,-0.8 -3,-0.1 0.598 53.1 154.2 83.7 10.7 11.5 111.1 73.9 118 118 A A < - 0 0 16 -5,-1.0 -1,-0.3 1,-0.1 2,-0.1 -0.475 51.4 -92.1 -74.6 144.2 13.3 107.7 74.2 119 119 A T + 0 0 66 -91,-0.4 -89,-1.7 -2,-0.2 2,-0.4 -0.323 46.7 168.9 -62.5 130.2 17.0 107.8 74.9 120 120 A T E -f 30 0B 42 -91,-0.2 2,-0.7 -2,-0.1 -89,-0.2 -0.958 13.9-166.7-144.2 118.1 19.5 107.7 72.0 121 121 A V E -f 31 0B 15 -91,-2.9 -89,-2.9 -2,-0.4 3,-0.5 -0.916 10.8-169.5-108.8 104.8 23.2 108.4 72.3 122 122 A Y S S+ 0 0 44 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.442 70.4 31.7 -84.0 167.6 25.0 108.9 69.0 123 123 A Q S S+ 0 0 130 -89,-2.5 2,-1.0 1,-0.2 21,-0.3 0.827 75.1 166.0 50.0 36.2 28.8 109.1 68.7 124 124 A A - 0 0 1 -92,-2.6 3,-0.4 -3,-0.5 -1,-0.2 -0.757 22.7-159.2 -82.9 103.1 29.0 106.6 71.6 125 125 A A E +B 142 0A 40 17,-2.5 17,-3.0 -2,-1.0 -91,-0.0 -0.502 55.5 10.3 -89.7 157.9 32.6 105.7 71.3 126 126 A E E S- 0 0 105 15,-0.2 -1,-0.2 -2,-0.2 2,-0.2 0.812 75.0-166.9 42.9 50.5 34.5 102.6 72.5 127 127 A V E - 0 0 15 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.424 7.7-177.9 -65.2 130.3 31.4 100.7 73.6 128 128 A R 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4,-0.3 -4,-0.3 3,-0.3 0.744 90.3 60.4 -63.6 -21.1 16.6 80.6 76.5 327 327 A R G <> S+ 0 0 119 -3,-2.1 4,-2.3 -4,-0.2 -1,-0.3 0.493 75.6 99.9 -85.2 -5.6 14.6 79.7 73.4 328 328 A Y H <> S+ 0 0 0 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 0.909 83.0 42.7 -46.8 -59.0 15.7 82.8 71.4 329 329 A S H > S+ 0 0 9 -3,-0.3 4,-2.8 -4,-0.3 5,-0.2 0.873 112.7 51.7 -60.3 -42.9 18.4 81.1 69.3 330 330 A A H > S+ 0 0 46 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.934 112.3 46.5 -62.2 -46.0 16.4 77.9 68.5 331 331 A I H X S+ 0 0 10 -4,-2.3 4,-0.9 1,-0.2 3,-0.4 0.958 118.2 41.1 -61.2 -50.5 13.4 79.9 67.3 332 332 A C H X S+ 0 0 5 -4,-2.3 4,-2.6 -5,-0.3 3,-0.5 0.909 107.4 59.3 -66.3 -45.7 15.5 82.3 65.1 333 333 A L H X S+ 0 0 25 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.782 98.5 61.6 -57.3 -27.8 17.9 79.8 63.6 334 334 A R H X S+ 0 0 119 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.2 0.955 111.4 36.5 -64.5 -46.5 15.1 77.8 62.1 335 335 A R H X S+ 0 0 32 -4,-0.9 4,-2.1 -3,-0.5 -2,-0.2 0.884 115.3 56.9 -73.0 -37.5 14.0 80.8 60.0 336 336 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.938 105.0 49.3 -59.8 -50.7 17.6 81.9 59.4 337 337 A W H X S+ 0 0 97 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.881 111.8 48.6 -59.9 -39.7 18.8 78.6 57.8 338 338 A K H X S+ 0 0 125 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.900 113.3 46.5 -68.2 -38.9 15.8 78.4 55.4 339 339 A A H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.824 112.4 52.1 -71.9 -29.5 16.3 82.1 54.3 340 340 A E H X S+ 0 0 9 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.889 107.7 51.1 -69.7 -42.2 20.1 81.3 53.9 341 341 A R H X S+ 0 0 110 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.897 112.9 46.0 -61.6 -41.6 19.4 78.3 51.8 342 342 A F H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.898 112.6 48.8 -68.7 -43.5 17.1 80.3 49.5 343 343 A S H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.863 113.3 49.0 -64.5 -35.1 19.6 83.3 49.2 344 344 A W H X S+ 0 0 121 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 112.1 48.2 -68.8 -45.0 22.3 80.8 48.4 345 345 A W H X S+ 0 0 21 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.940 112.5 47.6 -61.4 -50.6 20.2 79.0 45.8 346 346 A M H X S+ 0 0 5 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.918 112.1 51.1 -56.4 -46.2 19.2 82.3 44.1 347 347 A T H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.914 110.3 49.4 -60.5 -40.7 22.8 83.4 44.1 348 348 A S H < S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.781 114.0 42.3 -74.1 -28.1 24.0 80.2 42.5 349 349 A V H < S+ 0 0 4 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.731 118.6 43.7 -90.6 -20.0 21.5 80.1 39.7 350 350 A L H < S+ 0 0 1 -4,-1.7 -146,-0.3 -5,-0.2 2,-0.3 0.633 101.7 73.6 -98.7 -15.2 21.7 83.8 38.8 351 351 A H S < S- 0 0 0 -4,-1.4 2,-0.6 -5,-0.2 -148,-0.1 -0.692 74.4-122.7-104.4 158.2 25.5 84.5 38.9 352 352 A R - 0 0 108 -2,-0.3 -144,-0.1 -148,-0.1 -3,-0.1 -0.816 31.0-155.3 -95.1 118.2 28.4 83.7 36.7 353 353 A F - 0 0 44 -2,-0.6 3,-0.4 -5,-0.1 2,-0.1 -0.753 18.8-112.8 -97.4 141.0 31.0 81.8 38.7 354 354 A P S S+ 0 0 74 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.444 96.1 18.1 -70.6 148.2 34.7 81.8 37.8 355 355 A D S S+ 0 0 168 1,-0.2 2,-0.5 -2,-0.1 0, 0.0 0.952 80.8 163.2 56.3 62.1 36.1 78.4 36.6 356 356 A T - 0 0 46 -3,-0.4 -1,-0.2 3,-0.0 2,-0.0 -0.936 28.1-139.2-111.9 124.9 32.8 76.7 35.8 357 357 A D > - 0 0 94 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.279 29.5 -98.1 -77.9 170.9 32.9 73.6 33.6 358 358 A A H > S+ 0 0 74 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.867 120.1 54.3 -56.1 -43.3 30.5 72.7 30.8 359 359 A F H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 108.9 47.8 -59.2 -48.9 28.4 70.3 33.0 360 360 A S H > S+ 0 0 57 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 109.0 53.2 -61.1 -40.0 27.8 73.0 35.7 361 361 A Q H X S+ 0 0 107 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.942 110.8 47.4 -61.7 -45.1 26.8 75.7 33.2 362 362 A R H X S+ 0 0 168 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.862 111.8 50.0 -63.6 -38.8 24.2 73.3 31.7 363 363 A I H X S+ 0 0 78 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.888 109.0 52.2 -68.2 -36.9 22.9 72.4 35.2 364 364 A Q H X S+ 0 0 39 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.933 112.3 45.5 -63.3 -44.5 22.6 76.1 36.1 365 365 A Q H X S+ 0 0 63 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.912 112.4 51.0 -64.5 -42.2 20.6 76.8 33.0 366 366 A T H X S+ 0 0 67 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.810 103.4 59.0 -65.0 -33.9 18.5 73.7 33.6 367 367 A E H X S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.928 109.6 44.4 -59.8 -47.1 17.7 74.7 37.2 368 368 A L H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.961 113.8 49.3 -62.7 -50.8 16.2 77.9 35.7 369 369 A E H X S+ 0 0 77 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.899 116.6 41.9 -56.2 -45.7 14.3 76.1 33.0 370 370 A Y H >X S+ 0 0 123 -4,-3.0 4,-1.3 2,-0.2 3,-1.2 0.981 117.9 43.3 -67.4 -57.0 12.8 73.6 35.4 371 371 A Y H 3< S+ 0 0 62 -4,-2.6 -2,-0.2 1,-0.3 10,-0.2 0.842 117.3 46.3 -60.9 -32.7 12.0 75.9 38.3 372 372 A L H 3< S+ 0 0 6 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.533 117.4 43.5 -87.6 -4.8 10.5 78.6 36.0 373 373 A G H << S+ 0 0 50 -3,-1.2 2,-0.4 -4,-0.6 -2,-0.2 0.489 97.9 78.6-116.1 -7.6 8.5 76.2 34.0 374 374 A S X - 0 0 26 -4,-1.3 4,-3.1 -3,-0.1 5,-0.2 -0.892 69.7-142.3-104.9 135.1 7.0 73.9 36.6 375 375 A E H > S+ 0 0 110 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.863 108.4 46.6 -61.1 -34.4 4.0 75.1 38.7 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.861 111.9 50.5 -74.9 -35.6 5.6 73.4 41.7 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.4 0.953 109.6 50.2 -66.9 -47.1 9.0 74.9 40.9 378 378 A L H X S+ 0 0 19 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.867 107.5 55.1 -57.2 -40.6 7.5 78.4 40.6 379 379 A A H X S+ 0 0 28 -4,-1.4 4,-2.6 -5,-0.2 5,-0.3 0.845 102.3 55.6 -63.8 -35.4 5.8 77.9 44.0 380 380 A T H X S+ 0 0 53 -4,-1.5 4,-1.0 -3,-0.4 -1,-0.2 0.875 112.0 43.8 -66.6 -36.0 9.0 77.1 45.8 381 381 A I H X S+ 0 0 8 -4,-1.4 4,-2.5 -10,-0.2 -2,-0.2 0.959 115.5 49.4 -71.4 -47.7 10.5 80.4 44.6 382 382 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.911 110.5 45.9 -58.5 -52.0 7.3 82.4 45.4 383 383 A E H X S+ 0 0 96 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.851 117.8 45.6 -63.1 -33.3 6.7 81.2 48.9 384 384 A N H < S+ 0 0 14 -4,-1.0 4,-0.3 -5,-0.3 -1,-0.2 0.853 113.0 50.4 -76.5 -35.7 10.4 81.7 49.8 385 385 A Y H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.917 111.0 45.5 -70.2 -45.6 10.5 85.1 48.1 386 386 A V H < S- 0 0 4 -4,-2.6 -336,-0.6 -5,-0.2 -1,-0.2 0.809 127.7 -97.5 -66.8 -27.9 7.4 86.6 49.8 387 387 A G < - 0 0 7 -4,-0.9 -2,-0.1 -5,-0.3 -1,-0.1 0.137 28.0 -97.7 115.0 127.1 8.8 85.2 53.0 388 388 A L - 0 0 41 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.465 58.3 -84.9 -70.4 146.7 8.2 82.0 55.0 389 389 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.131 42.6-108.7 -53.4 142.7 5.8 82.5 58.0 390 390 A Y - 0 0 65 -3,-0.1 2,-0.1 1,-0.1 -86,-0.0 -0.547 33.9-122.7 -73.5 141.4 7.1 83.7 61.4 391 391 A E 0 0 82 -2,-0.2 -1,-0.1 -60,-0.1 -60,-0.0 -0.475 360.0 360.0 -80.8 154.3 7.2 81.0 64.1 392 392 A E 0 0 218 -2,-0.1 -1,-0.1 -61,-0.0 -84,-0.0 -0.800 360.0 360.0 -96.1 360.0 5.2 81.7 67.3