==== 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 HYDROLASE 19-SEP-01 1K0J . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.WANG,M.ORTIZ-MALDONADO,B.ENTSCH,D.BALLOU,D.L.GATTI . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 17.0 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 0.3 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 . 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 2 1 0 0 1 1 1 0 1 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 1 2 1 0 0 0 0 1 0 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 94 0, 0.0 150,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.6 57.4 98.3 133.3 2 2 A K B +a 151 0A 172 148,-0.2 2,-0.3 136,-0.1 150,-0.2 -0.992 360.0 144.8-135.1 139.8 54.9 95.5 133.8 3 3 A T - 0 0 10 148,-1.9 3,-0.2 -2,-0.4 25,-0.1 -0.952 47.4-118.1-160.5 173.2 52.6 93.9 131.2 4 4 A Q S S+ 0 0 44 23,-0.3 149,-3.5 -2,-0.3 150,-1.5 0.941 98.0 27.6 -84.8 -67.5 51.0 90.6 130.2 5 5 A V E -de 28 154B 1 22,-2.4 24,-2.1 147,-0.2 2,-0.4 -0.859 69.6-155.0-105.6 120.8 52.3 90.1 126.7 6 6 A A E -de 29 155B 0 148,-2.2 150,-2.8 -2,-0.6 2,-0.5 -0.717 12.6-161.6 -85.6 137.6 55.6 91.5 125.7 7 7 A I E -de 30 156B 0 22,-2.6 24,-3.1 -2,-0.4 2,-0.8 -0.946 9.1-158.2-128.1 114.0 55.9 92.1 121.9 8 8 A I E +de 31 157B 6 148,-2.0 150,-2.1 -2,-0.5 24,-0.2 -0.794 66.1 38.6 -90.8 110.3 59.2 92.6 120.2 9 9 A G - 0 0 5 22,-2.9 23,-0.2 -2,-0.8 150,-0.1 0.167 53.1-149.4 120.5 123.7 58.5 94.3 116.9 10 10 A A + 0 0 0 4,-0.2 22,-0.1 20,-0.1 -1,-0.1 -0.253 65.6 111.7-111.2 41.0 56.2 97.1 115.6 11 11 A G S > S- 0 0 11 147,-0.4 4,-2.8 28,-0.0 5,-0.4 -0.275 95.2 -72.2 -96.9-168.7 55.9 95.6 112.1 12 12 A P H > S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 135.2 49.2 -54.8 -41.3 52.7 94.2 110.7 13 13 A S H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.974 115.6 40.3 -61.0 -58.0 53.1 91.1 112.9 14 14 A G H > S+ 0 0 0 144,-0.5 4,-3.1 1,-0.2 5,-0.2 0.939 118.0 47.4 -57.2 -51.7 53.7 93.0 116.2 15 15 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.901 113.8 47.6 -57.7 -45.1 51.1 95.7 115.4 16 16 A L H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.4 -1,-0.2 0.914 114.7 44.4 -65.7 -44.9 48.5 93.1 114.4 17 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.944 114.6 51.7 -63.4 -46.4 49.0 90.9 117.4 18 18 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.891 111.5 44.7 -57.8 -44.4 49.1 94.0 119.7 19 19 A Q H X S+ 0 0 9 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.938 113.1 49.7 -67.7 -47.3 45.8 95.4 118.4 20 20 A L H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.916 113.7 46.7 -57.1 -45.1 44.0 92.1 118.5 21 21 A L H X>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 4,-1.3 0.902 108.6 57.0 -63.3 -41.3 45.2 91.6 122.1 22 22 A H H ><5S+ 0 0 71 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.927 108.9 44.6 -55.1 -49.1 44.2 95.2 122.9 23 23 A K H 3<5S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.748 109.2 56.3 -69.6 -25.1 40.6 94.6 121.9 24 24 A A H 3<5S- 0 0 16 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.722 118.1-112.4 -78.0 -21.5 40.4 91.3 123.6 25 25 A G T <<5S+ 0 0 56 -4,-1.3 2,-0.6 -3,-0.5 -3,-0.2 0.484 71.4 136.8 103.1 4.4 41.4 93.0 126.8 26 26 A I < - 0 0 12 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 -0.766 56.9-120.2 -89.1 122.4 44.8 91.4 127.3 27 27 A D + 0 0 101 -2,-0.6 -22,-2.4 -3,-0.1 2,-0.3 -0.345 41.1 173.4 -61.9 135.0 47.5 94.0 128.3 28 28 A N E -d 5 0B 9 -24,-0.2 91,-0.7 -25,-0.1 2,-0.4 -0.999 23.7-159.4-149.8 148.7 50.4 94.3 125.9 29 29 A V E -df 6 119B 4 -24,-2.1 -22,-2.6 -2,-0.3 2,-0.5 -0.987 10.7-151.9-128.9 134.9 53.5 96.3 125.2 30 30 A I E -df 7 120B 0 89,-1.8 91,-2.9 -2,-0.4 2,-0.5 -0.909 5.2-163.4-109.4 128.1 55.3 96.6 121.9 31 31 A L E -df 8 121B 1 -24,-3.1 -22,-2.9 -2,-0.5 2,-0.4 -0.952 10.5-175.4-111.3 120.5 59.0 97.3 121.8 32 32 A E - 0 0 18 89,-2.8 92,-2.6 -2,-0.5 91,-0.3 -0.964 21.8-153.3-119.9 132.6 60.4 98.6 118.4 33 33 A R S S+ 0 0 144 -2,-0.4 -1,-0.1 90,-0.2 89,-0.0 0.892 78.0 55.2 -69.1 -39.5 64.0 99.2 117.7 34 34 A Q S S- 0 0 58 89,-0.1 89,-2.3 1,-0.1 90,-0.3 -0.059 91.0 -93.4 -86.4-172.6 63.4 101.8 115.0 35 35 A T > - 0 0 44 87,-0.2 4,-2.5 88,-0.1 5,-0.2 -0.650 35.6-109.8 -98.9 157.6 61.5 105.1 114.9 36 36 A P H > S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.926 120.9 48.0 -52.3 -45.6 57.8 105.4 113.7 37 37 A D H > S+ 0 0 131 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.917 110.0 51.8 -61.8 -45.2 59.0 107.2 110.5 38 38 A Y H >4 S+ 0 0 125 2,-0.2 3,-0.7 1,-0.2 4,-0.5 0.963 112.1 44.8 -57.4 -55.6 61.7 104.6 109.8 39 39 A V H >< S+ 0 0 5 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.971 117.7 44.1 -50.2 -61.2 59.3 101.6 110.1 40 40 A L H 3< S+ 0 0 56 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.655 103.2 71.0 -59.5 -16.3 56.7 103.4 108.0 41 41 A G T << S+ 0 0 52 -4,-1.2 2,-0.6 -3,-0.7 -1,-0.3 0.591 74.1 95.0 -79.2 -11.1 59.5 104.5 105.7 42 42 A R < - 0 0 79 -3,-2.2 2,-0.4 -4,-0.5 -4,-0.0 -0.724 69.7-147.6 -83.0 119.9 60.0 100.9 104.3 43 43 A I + 0 0 55 -2,-0.6 2,-0.3 60,-0.1 -2,-0.1 -0.743 29.9 149.7 -95.7 136.4 57.9 100.6 101.1 44 44 A R - 0 0 110 -2,-0.4 58,-2.1 170,-0.0 59,-1.5 -0.848 33.1-138.2-166.4 127.5 56.4 97.4 100.1 45 45 A A - 0 0 17 -2,-0.3 57,-0.7 56,-0.3 2,-0.3 0.178 25.8-154.3 -66.1-166.6 53.3 96.3 98.1 46 46 A G - 0 0 14 167,-0.3 54,-1.0 55,-0.2 2,-0.5 -0.862 25.5-157.5-178.9 140.5 51.1 93.5 99.2 47 47 A V E -I 99 0C 22 -2,-0.3 2,-0.4 52,-0.2 52,-0.2 -0.997 31.7-155.4-120.2 114.5 48.7 90.8 98.0 48 48 A L E -I 98 0C 1 50,-3.2 50,-2.5 -2,-0.5 2,-0.1 -0.827 7.7-132.3-103.3 137.6 46.6 89.9 101.0 49 49 A E E > -I 97 0C 3 -2,-0.4 4,-2.6 48,-0.2 3,-0.3 -0.399 31.1-107.6 -76.8 158.1 44.8 86.5 101.5 50 50 A Q H > S+ 0 0 34 336,-0.8 4,-3.4 46,-0.6 5,-0.3 0.913 122.7 56.8 -52.7 -44.2 41.2 86.5 102.6 51 51 A G H > S+ 0 0 17 335,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.911 107.5 47.0 -53.8 -45.6 42.4 85.3 106.0 52 52 A M H > S+ 0 0 4 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.930 113.7 48.5 -61.9 -46.4 44.7 88.3 106.3 53 53 A V H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.895 111.7 48.8 -61.9 -41.6 41.8 90.6 105.3 54 54 A D H X S+ 0 0 72 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.883 109.1 54.0 -66.0 -37.6 39.4 88.9 107.8 55 55 A L H X S+ 0 0 5 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.829 106.9 50.5 -66.0 -33.9 42.0 89.3 110.5 56 56 A L H <>S+ 0 0 2 -4,-1.7 5,-2.5 2,-0.2 4,-0.5 0.864 108.4 52.6 -72.7 -35.9 42.3 93.0 109.9 57 57 A R H ><5S+ 0 0 130 -4,-1.7 3,-2.2 1,-0.2 5,-0.3 0.974 110.2 47.7 -60.6 -52.9 38.5 93.5 110.1 58 58 A E H 3<5S+ 0 0 99 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.2 56.8 -56.7 -33.4 38.5 91.7 113.4 59 59 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.605 114.8-121.2 -74.4 -10.1 41.4 93.9 114.6 60 60 A G T < 5S+ 0 0 43 -3,-2.2 -3,-0.2 -4,-0.5 3,-0.2 0.783 84.9 109.0 75.2 28.5 39.1 96.9 113.7 61 61 A V < + 0 0 11 -5,-2.5 4,-0.3 1,-0.1 -4,-0.2 -0.242 39.9 99.4-129.0 45.0 41.6 98.3 111.2 62 62 A D > + 0 0 50 -5,-0.3 4,-1.8 -6,-0.1 5,-0.2 0.397 48.6 99.6-111.4 2.8 39.9 97.6 107.9 63 63 A R H > S+ 0 0 157 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.961 91.7 32.5 -52.6 -62.9 38.4 101.1 107.3 64 64 A R H >> S+ 0 0 70 1,-0.2 4,-3.0 2,-0.2 3,-0.7 0.890 114.8 58.0 -65.6 -40.9 40.9 102.4 104.8 65 65 A M H 3> S+ 0 0 10 1,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.844 105.3 53.2 -58.6 -32.2 41.7 99.0 103.3 66 66 A A H 3< S+ 0 0 78 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.784 115.1 40.2 -72.9 -28.0 38.1 98.8 102.4 67 67 A R H << S+ 0 0 147 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.777 129.9 25.3 -91.8 -30.8 38.2 102.1 100.7 68 68 A D H < S+ 0 0 63 -4,-3.0 148,-0.3 -5,-0.1 -3,-0.2 0.678 96.3 100.5-109.0 -20.3 41.6 101.9 98.9 69 69 A G < - 0 0 20 -4,-2.1 2,-0.5 -5,-0.4 31,-0.2 -0.212 62.6-135.5 -67.7 157.4 42.2 98.2 98.5 70 70 A L E -J 99 0C 35 29,-2.0 29,-3.4 2,-0.0 2,-0.7 -0.965 11.0-146.8-116.7 119.0 41.6 96.4 95.2 71 71 A V E -J 98 0C 89 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.773 14.4-159.9 -88.9 113.1 39.9 93.0 95.4 72 72 A H E -J 97 0C 13 25,-2.8 25,-1.7 -2,-0.7 126,-0.1 -0.839 15.1-172.3 -97.2 125.5 41.2 90.7 92.7 73 73 A E S S+ 0 0 87 -2,-0.5 16,-2.6 23,-0.2 2,-0.3 0.484 72.1 20.3 -90.2 -5.4 39.0 87.7 91.7 74 74 A G - 0 0 0 14,-0.2 125,-0.4 13,-0.2 2,-0.3 -0.982 58.9-149.6-157.7 166.6 41.8 86.2 89.5 75 75 A V E -K 86 0D 5 11,-1.3 11,-2.7 -2,-0.3 2,-0.3 -0.972 19.3-135.0-140.0 150.2 45.5 86.1 88.7 76 76 A E E -Kl 85 200D 20 123,-2.6 125,-3.3 -2,-0.3 2,-0.4 -0.852 10.4-166.2-115.4 149.2 47.3 85.4 85.4 77 77 A I E -Kl 84 201D 4 7,-2.2 7,-2.8 -2,-0.3 2,-0.4 -0.995 12.4-162.5-127.9 131.8 50.3 83.3 84.3 78 78 A A E +Kl 83 202D 2 123,-3.3 125,-3.4 -2,-0.4 2,-0.3 -0.920 22.2 143.7-118.5 143.9 51.9 83.8 81.0 79 79 A F E > +K 82 0D 4 3,-1.9 3,-1.5 -2,-0.4 125,-0.1 -0.881 62.9 20.1-173.2 142.7 54.2 81.5 79.1 80 80 A A T 3 S- 0 0 72 123,-0.4 3,-0.1 1,-0.3 124,-0.1 0.910 128.5 -63.4 58.3 41.5 54.8 80.5 75.5 81 81 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.3 -3,-0.0 169,-0.2 0.198 114.7 106.5 71.8 -18.5 53.2 83.7 74.4 82 82 A Q E < -K 79 0D 72 -3,-1.5 -3,-1.9 166,-0.0 2,-0.4 -0.520 60.1-140.6 -94.5 161.8 49.8 82.8 75.8 83 83 A R E -K 78 0D 76 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.981 14.3-166.4-120.8 130.4 48.1 84.2 78.9 84 84 A R E -K 77 0D 49 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.975 9.1-147.7-121.4 126.7 46.1 81.8 81.2 85 85 A R E -K 76 0D 107 -2,-0.5 2,-0.8 -9,-0.2 -9,-0.2 -0.786 1.3-152.4 -97.6 133.8 43.7 83.1 83.8 86 86 A I E -K 75 0D 0 -11,-2.7 2,-2.1 -2,-0.4 -11,-1.3 -0.888 16.8-140.8-104.0 102.4 43.1 81.3 87.1 87 87 A D > + 0 0 35 -2,-0.8 4,-2.6 1,-0.2 -13,-0.2 -0.438 25.3 179.2 -65.3 83.6 39.6 82.2 88.2 88 88 A L H > S+ 0 0 0 -2,-2.1 4,-0.5 -15,-0.3 7,-0.2 0.894 75.3 53.0 -54.1 -46.5 40.5 82.5 91.9 89 89 A K H >4 S+ 0 0 81 -16,-2.6 3,-0.8 2,-0.2 4,-0.5 0.962 118.5 32.0 -56.2 -59.1 36.9 83.4 92.9 90 90 A R H >4 S+ 0 0 149 -17,-0.3 3,-1.7 1,-0.2 -2,-0.2 0.970 114.5 57.6 -65.7 -55.3 35.2 80.5 91.2 91 91 A L H 3< S+ 0 0 26 -4,-2.6 292,-0.3 1,-0.3 -1,-0.2 0.469 117.6 34.4 -57.7 -2.3 37.9 77.8 91.6 92 92 A S T << S- 0 0 25 -3,-0.8 2,-0.4 -4,-0.5 -1,-0.3 0.353 115.2-100.4-135.0 4.6 37.9 78.3 95.4 93 93 A G S < S- 0 0 74 -3,-1.7 -4,-0.1 -4,-0.5 -2,-0.1 -0.390 85.3 -39.6 108.0 -56.9 34.3 79.0 96.3 94 94 A G S S+ 0 0 34 -2,-0.4 -1,-0.2 -6,-0.2 -5,-0.1 0.292 92.0 134.1 174.8 2.4 34.4 82.8 96.7 95 95 A K + 0 0 76 -6,-0.3 2,-0.2 -7,-0.2 -3,-0.2 -0.384 30.2 178.2 -68.4 150.8 37.7 83.6 98.4 96 96 A T - 0 0 8 290,-0.1 -46,-0.6 -4,-0.1 2,-0.4 -0.794 25.6-116.1-140.8-178.8 39.6 86.4 96.9 97 97 A V E -IJ 49 72C 3 -25,-1.7 -25,-2.8 -2,-0.2 2,-0.5 -0.956 21.0-145.1-126.3 146.4 42.8 88.4 97.4 98 98 A T E -IJ 48 71C 9 -50,-2.5 -50,-3.2 -2,-0.4 2,-0.8 -0.959 5.8-143.4-118.8 128.1 43.1 92.0 98.2 99 99 A V E +IJ 47 70C 2 -29,-3.4 -29,-2.0 -2,-0.5 2,-0.3 -0.805 44.3 134.9 -93.4 111.6 45.8 94.3 96.9 100 100 A Y - 0 0 9 -54,-1.0 115,-0.1 -2,-0.8 5,-0.1 -0.899 55.7-107.2-156.2 119.1 46.7 96.9 99.6 101 101 A G > - 0 0 0 113,-0.7 4,-2.1 -2,-0.3 -56,-0.3 0.010 13.3-129.6 -52.2 155.9 50.3 97.6 100.4 102 102 A Q H > S+ 0 0 47 -58,-2.1 4,-3.5 -57,-0.7 5,-0.3 0.892 110.6 58.6 -71.8 -40.9 52.1 96.5 103.6 103 103 A T H > S+ 0 0 14 -59,-1.5 4,-3.1 1,-0.2 -1,-0.2 0.960 108.9 45.0 -52.5 -51.8 53.2 100.0 104.2 104 104 A E H > S+ 0 0 37 -60,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.913 112.8 50.1 -59.6 -45.2 49.6 101.1 104.2 105 105 A V H X S+ 0 0 5 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.918 112.8 47.1 -59.5 -43.0 48.5 98.2 106.4 106 106 A T H X S+ 0 0 6 -4,-3.5 4,-2.3 2,-0.2 -2,-0.2 0.960 113.3 49.0 -62.1 -49.8 51.4 99.0 108.8 107 107 A R H X S+ 0 0 38 -4,-3.1 4,-1.9 -5,-0.3 -2,-0.2 0.912 109.6 51.4 -54.4 -50.2 50.4 102.7 108.8 108 108 A D H X S+ 0 0 15 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.870 111.4 48.9 -57.1 -38.9 46.7 101.9 109.4 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.862 107.4 53.1 -71.5 -36.2 47.7 99.8 112.4 110 110 A M H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.845 109.6 49.6 -67.4 -33.8 50.0 102.4 113.9 111 111 A E H X S+ 0 0 98 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.884 109.4 51.2 -71.4 -39.2 47.2 105.0 113.8 112 112 A A H X S+ 0 0 28 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.856 117.0 40.7 -65.7 -35.2 44.8 102.5 115.4 113 113 A R H X>S+ 0 0 4 -4,-1.7 5,-0.9 2,-0.2 4,-0.8 0.908 111.6 53.7 -79.4 -45.5 47.3 101.9 118.2 114 114 A E H <5S+ 0 0 153 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.903 113.3 47.4 -55.6 -41.1 48.4 105.5 118.6 115 115 A A H <5S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.955 109.2 48.1 -67.5 -54.9 44.8 106.4 119.0 116 116 A C H <5S- 0 0 53 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.541 107.5-125.6 -67.9 -3.3 43.7 103.8 121.6 117 117 A G T <5 + 0 0 57 -4,-0.8 -3,-0.2 -3,-0.4 -1,-0.1 0.567 48.8 163.7 72.6 9.3 46.7 104.7 123.6 118 118 A A < - 0 0 20 -5,-0.9 2,-0.3 1,-0.1 -1,-0.2 -0.171 48.3 -87.0 -55.8 157.2 48.1 101.1 123.8 119 119 A T E +f 29 0B 62 -91,-0.7 -89,-1.8 2,-0.0 2,-0.3 -0.518 54.2 160.3 -77.4 130.1 51.8 101.0 124.8 120 120 A T E -f 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56.6 -70.6 -26.7 52.4 74.1 123.6 327 327 A R G <> S+ 0 0 93 -3,-1.0 4,-1.8 -4,-0.3 -1,-0.2 0.348 77.6 100.7 -85.1 4.8 50.6 73.4 120.3 328 328 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.3 2,-0.2 5,-0.3 0.957 83.2 42.6 -55.0 -56.7 51.6 76.7 118.8 329 329 A S H > S+ 0 0 7 -3,-0.4 4,-3.3 -4,-0.3 5,-0.3 0.945 112.1 50.9 -57.6 -55.6 54.5 75.5 116.7 330 330 A A H > S+ 0 0 47 -4,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.867 113.2 48.1 -53.9 -38.1 52.9 72.3 115.4 331 331 A I H >X S+ 0 0 4 -4,-1.8 4,-1.0 2,-0.2 3,-0.6 0.985 117.4 37.7 -67.4 -57.7 49.8 74.3 114.3 332 332 A C H >X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 3,-0.9 0.923 112.4 59.9 -59.3 -45.4 51.6 77.1 112.5 333 333 A L H 3X S+ 0 0 19 -4,-3.3 4,-2.5 -5,-0.3 -1,-0.2 0.807 99.3 56.5 -54.7 -33.3 54.3 74.8 111.1 334 334 A R H - 0 0 58 -2,-0.6 3,-0.7 -5,-0.1 2,-0.1 -0.739 22.9-105.9 -99.6 152.6 67.5 78.2 86.8 354 354 A P T 3 S+ 0 0 75 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.434 95.3 13.7 -80.4 154.4 71.1 78.0 85.8 355 355 A D T 3 S+ 0 0 167 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.773 85.2 160.7 57.9 27.9 72.7 74.9 84.1 356 356 A T < - 0 0 67 -3,-0.7 -1,-0.2 1,-0.1 2,-0.1 -0.652 30.4-136.1 -83.3 134.0 69.2 73.5 83.5 357 357 A D > - 0 0 93 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.331 26.3 -96.5 -87.0 171.3 69.1 70.8 80.8 358 358 A A H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 123.0 54.3 -52.4 -41.5 66.6 70.2 78.0 359 359 A F H > S+ 0 0 145 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.943 108.2 47.8 -61.2 -48.4 64.6 67.8 80.1 360 360 A S H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.891 110.2 53.6 -59.7 -40.8 64.1 70.2 82.9 361 361 A Q H X S+ 0 0 68 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.921 111.7 44.9 -60.8 -43.2 63.1 72.9 80.5 362 362 A R H X S+ 0 0 163 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.884 110.9 52.2 -69.9 -39.1 60.4 70.6 79.0 363 363 A I H X S+ 0 0 78 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.926 109.7 50.1 -63.4 -42.1 59.1 69.4 82.4 364 364 A Q H X S+ 0 0 38 -4,-2.4 4,-2.1 1,-0.2 3,-0.2 0.947 110.8 48.4 -60.4 -48.9 58.7 73.0 83.5 365 365 A Q H X S+ 0 0 42 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.861 113.3 49.3 -59.3 -34.9 56.8 74.0 80.4 366 366 A T H X S+ 0 0 79 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.785 103.6 58.8 -76.5 -27.9 54.7 70.9 80.9 367 367 A E H X S+ 0 0 60 -4,-2.1 4,-2.4 -3,-0.2 5,-0.3 0.962 111.6 41.9 -63.4 -50.1 54.0 71.7 84.5 368 368 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.929 114.2 52.3 -62.8 -45.2 52.5 75.0 83.4 369 369 A E H X S+ 0 0 84 -4,-2.2 4,-0.9 -5,-0.2 -2,-0.2 0.926 115.0 40.1 -57.5 -48.4 50.6 73.4 80.5 370 370 A Y H X S+ 0 0 127 -4,-2.8 4,-0.5 2,-0.2 7,-0.2 0.934 117.6 44.8 -69.6 -48.4 49.0 70.7 82.6 371 371 A Y H >< S+ 0 0 59 -4,-2.4 3,-0.8 -5,-0.3 -2,-0.2 0.921 116.5 45.1 -64.5 -44.6 48.1 72.7 85.7 372 372 A L H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.699 115.3 49.7 -73.0 -16.9 46.7 75.7 83.8 373 373 A G H 3< S+ 0 0 55 -4,-0.9 2,-0.4 -5,-0.3 -1,-0.2 0.407 100.9 71.3-102.4 1.9 44.8 73.4 81.5 374 374 A S S+ 0 0 119 -2,-0.4 4,-1.6 2,-0.2 -1,-0.1 0.899 108.8 48.2 -69.3 -39.9 40.2 72.1 86.4 376 376 A A H > S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.963 115.5 46.0 -62.2 -49.0 41.8 70.0 89.1 377 377 A G H > S+ 0 0 0 1,-0.2 4,-1.5 -7,-0.2 -2,-0.2 0.904 110.6 50.8 -59.5 -46.1 45.1 71.6 88.4 378 378 A L H X S+ 0 0 18 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.796 109.8 53.8 -64.0 -25.7 43.6 75.1 88.3 379 379 A A H X S+ 0 0 31 -4,-1.6 4,-2.6 -3,-0.3 5,-0.3 0.881 100.7 56.9 -76.3 -39.3 42.0 74.4 91.6 380 380 A T H X S+ 0 0 52 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.902 113.9 41.7 -58.6 -39.0 45.3 73.4 93.4 381 381 A I H X S+ 0 0 2 -4,-1.5 4,-3.7 2,-0.2 5,-0.2 0.931 114.4 50.6 -72.4 -47.4 46.7 76.8 92.5 382 382 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.958 110.2 47.1 -56.4 -57.5 43.5 78.7 93.3 383 383 A E H < S+ 0 0 101 -4,-2.6 4,-0.3 -292,-0.3 -1,-0.2 0.793 118.8 44.2 -57.7 -28.6 43.0 77.3 96.7 384 384 A N H < S+ 0 0 12 -4,-0.9 4,-0.3 -5,-0.3 -2,-0.2 0.880 110.3 52.4 -83.5 -41.4 46.7 77.9 97.5 385 385 A Y H < S+ 0 0 5 -4,-3.7 -2,-0.2 1,-0.2 -3,-0.2 0.933 112.5 44.6 -61.7 -45.7 46.9 81.4 96.0 386 386 A V S < S- 0 0 1 -4,-2.4 -336,-0.8 -5,-0.2 -335,-0.4 0.724 127.5-101.0 -69.4 -20.8 44.0 82.7 98.0 387 387 A G - 0 0 3 -4,-0.3 -2,-0.1 -5,-0.3 -1,-0.1 0.255 30.9 -92.1 105.5 129.8 45.4 81.0 101.0 388 388 A L - 0 0 39 -4,-0.3 -337,-0.1 1,-0.1 3,-0.1 -0.355 57.0 -84.8 -69.6 152.5 44.5 77.7 102.7 389 389 A P - 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.216 45.6-105.2 -58.5 144.6 42.0 77.8 105.5 390 390 A Y - 0 0 42 -3,-0.1 2,-0.3 1,-0.1 -86,-0.0 -0.534 37.5-117.1 -71.6 135.6 43.3 78.6 109.1 391 391 A E - 0 0 73 -2,-0.2 -1,-0.1 -60,-0.1 2,-0.1 -0.594 26.4-121.9 -77.8 129.8 43.4 75.5 111.3 392 392 A E - 0 0 133 -2,-0.3 -1,-0.1 1,-0.1 -84,-0.0 -0.394 13.1-139.3 -68.9 147.3 41.1 75.6 114.3 393 393 A I 0 0 11 1,-0.1 -1,-0.1 -2,-0.1 -81,-0.0 0.992 360.0 360.0 -70.9 -65.2 42.8 75.2 117.7 394 394 A E 0 0 161 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.625 360.0 360.0-116.4 360.0 40.3 72.9 119.5