==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-08 3CL6 . COMPND 2 MOLECULE: PUUE ALLANTOINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR I.RAMAZZINA,L.CENDRON,C.FOLLI,R.BERNI,D.MONTEVERDI, . 604 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 43 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 0 2 1 1 4 2 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 4 0 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 2 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 3 A V 0 0 182 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.8 64.7 -15.8 -38.3 2 4 A D - 0 0 160 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.772 360.0-162.5-110.4 85.9 61.3 -14.9 -36.8 3 5 A Y - 0 0 129 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.567 4.3-162.0 -78.0 108.4 60.5 -17.7 -34.4 4 6 A P + 0 0 104 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.681 61.8 86.7 -66.9 -21.7 56.7 -17.6 -33.6 5 7 A R S S- 0 0 161 1,-0.0 2,-0.8 2,-0.0 3,-0.1 -0.563 70.3-139.7 -83.6 143.9 56.8 -19.7 -30.4 6 8 A D + 0 0 101 -2,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.848 28.7 167.5-100.8 100.3 57.4 -18.2 -27.0 7 9 A L S S+ 0 0 126 -2,-0.8 -1,-0.1 1,-0.1 -2,-0.0 0.609 72.7 50.9 -86.1 -12.2 59.7 -20.8 -25.3 8 10 A I > + 0 0 136 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 0.861 68.5 163.5 -98.5 -45.2 60.6 -18.4 -22.5 9 11 A G T 3 S- 0 0 39 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.370 78.7 -13.3 64.5-131.6 57.3 -17.0 -21.0 10 12 A Y T > S- 0 0 65 1,-0.3 3,-2.0 -2,-0.1 -1,-0.3 0.445 89.3-157.3 -81.5 -2.3 57.8 -15.4 -17.6 11 13 A G T < - 0 0 47 -3,-2.1 -1,-0.3 1,-0.3 -3,-0.0 -0.268 64.2 -22.9 54.9-139.5 61.3 -17.0 -17.3 12 14 A S T 3 S+ 0 0 109 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.461 132.1 71.0 -82.8 3.6 62.4 -17.3 -13.7 13 15 A N < + 0 0 128 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.0 -0.595 60.6 176.1-123.5 70.1 60.1 -14.5 -12.6 14 16 A P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 -5,-0.0 -0.468 35.8-109.3 -70.2 146.3 56.4 -15.5 -12.7 15 17 A P - 0 0 30 0, 0.0 284,-0.0 0, 0.0 -5,-0.0 -0.346 25.0-110.8 -73.7 154.7 54.0 -12.8 -11.4 16 18 A H - 0 0 77 1,-0.1 234,-0.1 232,-0.1 232,-0.1 -0.759 23.1-155.4 -81.8 124.8 52.2 -13.2 -8.1 17 19 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 281,-0.1 0.604 14.8-145.8 -78.9 -11.3 48.5 -13.6 -9.0 18 20 A H - 0 0 102 1,-0.1 4,-0.1 231,-0.1 3,-0.1 0.904 23.3-157.9 42.5 54.2 47.2 -12.2 -5.6 19 21 A W > - 0 0 6 4,-0.4 3,-0.8 1,-0.1 4,-0.4 -0.207 25.8 -87.5 -57.8 149.4 44.2 -14.7 -5.7 20 22 A P G > S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.166 112.0 25.9 -54.4 149.5 41.2 -13.7 -3.6 21 23 A G G 3 S- 0 0 45 1,-0.2 3,-0.1 397,-0.1 261,-0.1 0.751 127.1 -78.4 64.6 25.1 41.1 -14.8 0.1 22 24 A K G < S- 0 0 112 -3,-0.8 -1,-0.2 1,-0.2 -3,-0.1 0.802 74.7-170.4 57.5 32.2 44.9 -14.8 0.1 23 25 A A < - 0 0 4 -3,-1.2 -4,-0.4 -4,-0.4 260,-0.2 -0.222 28.1-156.3 -64.5 139.3 44.7 -18.2 -1.6 24 26 A R S S+ 0 0 65 258,-2.7 226,-0.6 1,-0.2 2,-0.3 0.615 83.3 16.8 -86.0 -11.8 47.9 -20.3 -2.0 25 27 A I E -ab 250 283A 0 257,-0.9 259,-2.6 224,-0.2 2,-0.4 -0.983 66.4-143.7-156.4 145.9 46.4 -22.0 -5.0 26 28 A A E -ab 251 284A 0 224,-1.6 226,-1.9 -2,-0.3 2,-0.5 -0.970 18.0-157.3-112.1 132.2 43.5 -21.5 -7.5 27 29 A L E -ab 252 285A 0 257,-2.7 259,-2.5 -2,-0.4 2,-0.6 -0.956 7.2-169.1-112.4 128.6 41.6 -24.6 -8.7 28 30 A S E -a 253 0A 0 224,-2.4 226,-2.4 -2,-0.5 2,-0.4 -0.918 4.9-165.3-116.6 102.7 39.6 -24.6 -11.9 29 31 A F E -a 254 0A 1 -2,-0.6 67,-1.7 257,-0.5 2,-0.4 -0.749 11.9-165.9 -82.3 132.0 37.4 -27.7 -12.3 30 32 A V E -ac 255 96A 0 224,-2.7 226,-2.0 -2,-0.4 2,-0.6 -0.977 11.6-160.7-126.7 128.5 36.2 -28.0 -15.8 31 33 A L E -ac 256 97A 0 65,-1.9 67,-0.8 -2,-0.4 2,-0.3 -0.951 13.3-147.9-110.4 117.2 33.4 -30.2 -17.1 32 34 A N E -ac 257 98A 2 224,-3.1 226,-1.0 -2,-0.6 2,-0.5 -0.649 6.9-163.9 -79.0 136.8 33.5 -30.9 -20.8 33 35 A Y E + c 0 99A 2 65,-2.5 67,-2.7 -2,-0.3 71,-0.2 -0.875 37.3 134.2-123.5 98.4 30.1 -31.4 -22.5 34 36 A E > + 0 0 3 -2,-0.5 3,-2.2 65,-0.2 4,-0.3 0.516 26.0 121.9-119.7 -15.8 30.7 -33.0 -25.9 35 37 A E T 3 S+ 0 0 3 1,-0.3 71,-0.1 2,-0.2 65,-0.0 -0.383 80.4 22.6 -67.7 119.9 28.1 -35.8 -26.0 36 38 A G T 3 S+ 0 0 17 -2,-0.3 -1,-0.3 3,-0.1 70,-0.0 0.317 116.2 68.1 103.4 -3.8 25.9 -35.3 -29.0 37 39 A G S < S+ 0 0 0 -3,-2.2 91,-2.6 2,-0.1 -2,-0.2 0.304 74.3 105.7-125.1 8.0 28.5 -33.3 -30.9 38 40 A E S S- 0 0 11 -4,-0.3 91,-0.1 1,-0.2 5,-0.1 -0.143 87.0 -57.6 -81.3 179.1 31.2 -35.9 -31.6 39 41 A R S S+ 0 0 41 89,-0.4 10,-0.9 9,-0.1 2,-0.3 -0.349 71.4 145.7 -60.8 134.5 31.9 -37.5 -34.9 40 42 A N > > - 0 0 8 8,-0.2 5,-1.7 -3,-0.1 3,-1.5 -0.878 55.3-130.7-165.2 136.7 28.9 -39.3 -36.4 41 43 A I G > 5S+ 0 0 63 23,-0.4 3,-1.0 1,-0.3 24,-0.1 0.785 111.7 65.2 -61.4 -21.8 27.6 -39.9 -39.9 42 44 A L G 3 5S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.807 100.3 49.7 -64.0 -30.2 24.3 -38.7 -38.5 43 45 A H G < 5S- 0 0 36 -3,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.436 128.8 -98.6 -88.9 -0.9 26.0 -35.3 -38.0 44 46 A G T < 5S+ 0 0 69 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.368 78.7 138.4 99.4 -3.0 27.3 -35.3 -41.6 45 47 A D < - 0 0 33 -5,-1.7 -1,-0.3 1,-0.1 3,-0.0 -0.269 60.6-124.0 -70.8 164.3 30.8 -36.5 -40.7 46 48 A K S S+ 0 0 133 16,-0.1 17,-2.8 17,-0.1 2,-0.3 0.540 86.1 17.4 -84.0 -9.1 32.6 -39.1 -42.9 47 49 A E B S-J 62 0B 28 15,-0.3 15,-0.2 16,-0.2 -2,-0.1 -0.958 80.9 -90.6-158.3 168.2 33.2 -41.5 -40.0 48 50 A S - 0 0 5 13,-1.5 -8,-0.2 -2,-0.3 2,-0.1 -0.387 51.4 -90.7 -84.5 164.7 32.3 -42.6 -36.5 49 51 A E + 0 0 3 -10,-0.9 -1,-0.1 11,-0.1 10,-0.1 -0.405 41.7 165.5 -74.7 147.4 34.0 -41.4 -33.3 50 52 A A + 0 0 18 -2,-0.1 2,-0.3 10,-0.1 3,-0.3 0.481 43.2 99.6-134.2 -8.7 37.0 -43.2 -31.8 51 53 A F S S+ 0 0 59 1,-0.2 169,-0.1 169,-0.0 4,-0.0 -0.639 84.5 1.5 -92.1 135.1 38.5 -40.7 -29.3 52 54 A L S S+ 0 0 9 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.949 89.6 114.2 60.0 66.4 37.9 -41.0 -25.4 53 55 A S S S- 0 0 5 166,-0.3 -1,-0.2 -3,-0.3 5,-0.1 -0.931 80.5 -95.9-147.1 171.1 35.7 -44.0 -24.7 54 56 A E S S+ 0 0 69 -2,-0.3 2,-1.9 1,-0.2 3,-0.1 0.672 109.1 84.9 -62.1 -19.3 35.9 -47.4 -22.9 55 57 A M > + 0 0 60 1,-0.2 3,-2.0 2,-0.1 -1,-0.2 -0.595 65.1 178.3 -85.5 76.4 36.7 -48.8 -26.3 56 58 A V T 3 S+ 0 0 93 -2,-1.9 -1,-0.2 1,-0.3 165,-0.1 0.629 73.0 41.2 -64.3 -18.9 40.3 -48.0 -25.9 57 59 A S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.199 83.8 138.3-113.4 15.8 41.5 -49.4 -29.2 58 60 A A < - 0 0 20 -3,-2.0 -8,-0.1 -8,-0.2 -5,-0.0 -0.246 34.9-160.8 -57.1 144.3 38.6 -48.2 -31.3 59 61 A Q - 0 0 142 -10,-0.1 -11,-0.1 -8,-0.0 -2,-0.1 -0.922 32.5 -90.9-121.7 153.3 39.3 -46.7 -34.8 60 62 A P - 0 0 40 0, 0.0 2,-0.6 0, 0.0 -11,-0.1 -0.366 37.1-139.4 -59.7 141.6 37.0 -44.4 -36.9 61 63 A L > - 0 0 73 3,-0.2 -13,-1.5 -12,-0.1 3,-1.4 -0.938 18.1-126.7-106.4 119.2 34.7 -46.4 -39.2 62 64 A Q B 3 S-J 47 0B 116 -2,-0.6 -15,-0.3 1,-0.3 3,-0.1 -0.498 86.2 -9.9 -70.7 123.3 34.4 -44.8 -42.6 63 65 A G T 3 S+ 0 0 46 -17,-2.8 2,-0.3 -2,-0.3 -1,-0.3 0.681 115.5 108.4 66.9 21.2 30.7 -44.2 -43.5 64 66 A E < - 0 0 114 -3,-1.4 2,-0.4 -18,-0.2 -23,-0.4 -0.895 67.1-125.8-128.4 153.9 29.5 -46.3 -40.6 65 67 A R - 0 0 103 -2,-0.3 2,-0.8 -25,-0.1 3,-0.1 -0.843 16.7-150.3 -90.5 134.9 27.8 -45.9 -37.3 66 68 A N > - 0 0 21 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.913 12.2-169.7-101.6 100.6 29.6 -47.5 -34.3 67 69 A M H > S+ 0 0 112 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.895 81.8 50.3 -65.3 -40.9 26.7 -48.4 -32.1 68 70 A S H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.938 111.1 49.9 -61.3 -47.3 28.8 -49.3 -29.0 69 71 A M H > S+ 0 0 4 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.4 50.6 -55.0 -46.1 30.7 -46.0 -29.2 70 72 A E H X S+ 0 0 12 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.913 110.0 50.2 -59.3 -42.4 27.4 -44.1 -29.5 71 73 A S H X S+ 0 0 73 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.876 107.5 53.2 -66.3 -39.5 26.0 -45.9 -26.4 72 74 A L H X S+ 0 0 34 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.889 110.0 48.1 -61.1 -40.5 29.1 -45.0 -24.4 73 75 A Y H >X S+ 0 0 2 -4,-2.0 4,-1.1 1,-0.2 3,-0.9 0.916 105.9 58.8 -67.0 -40.2 28.7 -41.3 -25.3 74 76 A E H 3X S+ 0 0 84 -4,-2.4 4,-2.8 1,-0.3 5,-0.3 0.792 93.8 65.4 -58.7 -29.7 25.0 -41.5 -24.3 75 77 A Y H 3X>S+ 0 0 42 -4,-1.3 5,-2.6 1,-0.2 4,-2.5 0.924 99.4 55.0 -58.0 -39.6 26.0 -42.6 -20.8 76 78 A G H <<>S+ 0 0 0 -3,-0.9 5,-2.4 -4,-0.8 -2,-0.2 0.924 115.5 33.8 -58.4 -50.7 27.6 -39.2 -20.4 77 79 A S H <5S+ 0 0 22 -4,-1.1 -1,-0.2 3,-0.2 -2,-0.2 0.794 124.3 44.0 -80.3 -30.5 24.4 -37.2 -21.3 78 80 A R H <5S- 0 0 190 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.865 136.3 -6.8 -77.8 -41.6 21.9 -39.6 -19.8 79 81 A A T X5S+ 0 0 35 -4,-2.5 4,-1.5 -5,-0.3 -3,-0.2 0.697 121.3 60.2-129.6 -47.9 23.5 -40.5 -16.4 80 82 A G H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.890 112.4 50.8 -62.8 -39.4 23.6 -35.4 -13.4 83 85 A R H X S+ 0 0 90 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.920 112.9 45.6 -62.5 -45.6 25.9 -37.4 -11.1 84 86 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.930 111.0 51.9 -65.5 -44.3 28.8 -35.0 -11.6 85 87 A L H X S+ 0 0 22 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.884 108.7 52.2 -60.6 -38.8 26.6 -31.9 -11.2 86 88 A K H X S+ 0 0 136 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.870 106.4 54.1 -62.4 -37.9 25.3 -33.2 -7.9 87 89 A L H X S+ 0 0 11 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.948 110.3 45.0 -65.6 -46.6 28.8 -33.8 -6.7 88 90 A F H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 4,-0.4 0.877 112.2 51.9 -68.5 -33.9 29.8 -30.2 -7.3 89 91 A K H ><5S+ 0 0 152 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.913 104.1 58.6 -66.5 -37.6 26.6 -28.8 -5.8 90 92 A A H 3<5S+ 0 0 78 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 115.6 33.9 -63.2 -27.6 27.2 -30.9 -2.7 91 93 A F T 3<5S- 0 0 51 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.304 108.1-123.1-109.1 5.6 30.6 -29.2 -2.1 92 94 A D T < 5 + 0 0 97 -3,-1.1 -3,-0.2 -4,-0.4 -4,-0.1 0.853 57.8 151.2 53.7 42.6 29.5 -25.8 -3.5 93 95 A I < - 0 0 4 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.906 40.3-133.0-103.0 127.4 32.3 -25.7 -6.0 94 96 A P - 0 0 36 0, 0.0 -65,-0.4 0, 0.0 2,-0.3 -0.448 19.7-146.8 -78.6 155.6 31.6 -23.8 -9.2 95 97 A L - 0 0 0 19,-0.1 25,-2.3 -2,-0.1 2,-0.5 -0.864 12.2-142.7-116.2 150.8 32.3 -25.2 -12.7 96 98 A T E -cd 30 120A 0 -67,-1.7 -65,-1.9 -2,-0.3 2,-0.8 -0.983 24.3-149.0-101.7 124.1 33.4 -24.0 -16.0 97 99 A I E -cd 31 121A 0 23,-3.5 25,-2.9 -2,-0.5 2,-1.5 -0.830 9.0-157.0 -97.4 105.5 31.6 -25.9 -18.8 98 100 A F E -cd 32 122A 0 -67,-0.8 -65,-2.5 -2,-0.8 2,-0.5 -0.675 30.9-170.0 -66.2 89.2 33.5 -26.3 -22.0 99 101 A A E -cd 33 123A 0 23,-2.6 25,-2.7 -2,-1.5 2,-0.4 -0.778 22.0-140.3 -98.1 125.1 30.3 -26.8 -24.0 100 102 A V > - 0 0 0 -67,-2.7 4,-2.7 -2,-0.5 26,-0.2 -0.709 18.9-136.4 -78.5 129.1 30.2 -28.0 -27.6 101 103 A A H > S+ 0 0 0 24,-2.8 4,-2.6 -2,-0.4 25,-0.2 0.898 101.9 48.4 -60.6 -45.2 27.4 -26.0 -29.3 102 104 A M H > S+ 0 0 21 24,-2.3 4,-1.4 23,-0.2 -1,-0.2 0.890 112.8 50.3 -62.5 -37.7 26.0 -29.0 -31.2 103 105 A A H > S+ 0 0 0 23,-0.3 4,-0.8 2,-0.2 3,-0.2 0.940 110.2 49.2 -63.8 -46.6 25.9 -31.0 -28.0 104 106 A A H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 7,-0.2 0.908 106.1 56.7 -59.1 -42.2 24.2 -28.2 -26.1 105 107 A Q H 3< S+ 0 0 98 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.867 105.6 52.9 -55.9 -39.3 21.6 -27.9 -28.8 106 108 A R H 3< S+ 0 0 135 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.640 122.0 27.3 -76.6 -15.5 20.7 -31.6 -28.4 107 109 A H XX + 0 0 50 -3,-1.1 4,-1.4 -4,-0.8 3,-0.9 -0.398 67.7 160.4-140.6 65.2 20.2 -31.3 -24.6 108 110 A P H 3> S+ 0 0 50 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.812 71.1 62.6 -59.6 -30.5 19.1 -27.8 -23.9 109 111 A D H 3> S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.877 102.3 48.5 -65.7 -36.8 17.6 -28.7 -20.5 110 112 A V H <> S+ 0 0 0 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.913 112.4 49.7 -69.9 -36.6 20.9 -29.8 -19.0 111 113 A I H X S+ 0 0 0 -4,-1.4 4,-2.2 -7,-0.2 -2,-0.2 0.925 110.7 49.3 -63.4 -45.8 22.6 -26.6 -20.3 112 114 A R H X S+ 0 0 135 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.907 109.7 53.1 -59.7 -37.4 19.8 -24.5 -18.7 113 115 A A H X S+ 0 0 39 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.893 108.3 49.6 -62.8 -44.0 20.3 -26.5 -15.5 114 116 A M H <>S+ 0 0 1 -4,-2.1 5,-2.3 2,-0.2 4,-0.4 0.870 110.9 49.6 -61.7 -41.0 24.0 -25.7 -15.5 115 117 A V H ><5S+ 0 0 56 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.939 109.6 50.8 -66.5 -44.3 23.3 -22.0 -16.1 116 118 A A H 3<5S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.812 106.1 55.9 -63.7 -30.7 20.7 -21.9 -13.2 117 119 A A T 3<5S- 0 0 48 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.589 121.8-110.3 -76.6 -11.4 23.3 -23.5 -10.9 118 120 A G T < 5 + 0 0 34 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.575 65.3 149.7 93.7 14.2 25.6 -20.6 -11.7 119 121 A H < - 0 0 20 -5,-2.3 2,-0.4 -25,-0.1 -1,-0.3 -0.471 49.7-113.0 -76.5 151.2 28.2 -22.5 -13.8 120 122 A E E -d 96 0A 14 -25,-2.3 -23,-3.5 -2,-0.1 2,-0.8 -0.724 19.6-144.0 -84.5 130.4 30.0 -20.7 -16.5 121 123 A I E -d 97 0A 16 -2,-0.4 38,-0.4 -25,-0.2 2,-0.3 -0.867 23.7-178.0 -93.5 109.1 29.2 -21.8 -20.1 122 124 A C E -d 98 0A 0 -25,-2.9 -23,-2.6 -2,-0.8 2,-0.4 -0.779 32.7-103.5-101.6 147.1 32.5 -21.5 -22.1 123 125 A S E +de 99 161A 0 37,-2.2 39,-2.3 -2,-0.3 -23,-0.2 -0.603 31.7 179.3 -76.9 130.7 32.6 -22.4 -25.8 124 126 A H - 0 0 2 -25,-2.7 -24,-0.2 1,-0.5 -1,-0.1 -0.030 59.6 -85.8-113.3 26.4 34.1 -25.7 -26.7 125 127 A G - 0 0 0 -26,-0.3 -24,-2.8 1,-0.1 -1,-0.5 -0.118 39.9 -82.9 95.2 165.3 33.5 -25.2 -30.5 126 128 A Y S S+ 0 0 59 -26,-0.2 -24,-2.3 1,-0.2 2,-0.3 0.921 113.5 17.1 -70.3 -45.6 30.6 -25.8 -32.8 127 129 A R S S- 0 0 13 -26,-0.1 2,-1.4 -25,-0.1 -1,-0.2 -0.923 77.7-119.3-126.1 152.2 31.5 -29.5 -33.2 128 130 A W S S+ 0 0 9 -91,-2.6 -89,-0.4 -2,-0.3 2,-0.3 -0.635 72.1 115.9 -91.4 80.7 33.7 -31.9 -31.3 129 131 A I S S- 0 0 22 -2,-1.4 2,-0.5 -91,-0.1 36,-0.2 -0.867 73.6 -86.2-140.6 170.9 36.1 -32.7 -34.1 130 132 A D - 0 0 81 -2,-0.3 3,-0.3 1,-0.1 36,-0.2 -0.712 30.6-170.0 -86.5 122.2 39.8 -32.2 -35.1 131 133 A Y > + 0 0 6 34,-3.0 3,-1.2 -2,-0.5 36,-0.2 0.379 53.4 110.7 -93.9 6.6 40.4 -28.9 -36.7 132 134 A Q T 3 S+ 0 0 87 33,-0.3 -1,-0.2 1,-0.3 37,-0.1 0.846 89.1 27.6 -47.4 -46.0 43.9 -29.6 -37.9 133 135 A Y T 3 S+ 0 0 205 -3,-0.3 2,-0.3 34,-0.1 -1,-0.3 0.371 90.0 121.8-105.1 3.4 43.1 -29.7 -41.6 134 136 A M < - 0 0 31 -3,-1.2 -3,-0.0 1,-0.1 33,-0.0 -0.525 66.3-111.6 -76.0 134.4 40.0 -27.4 -41.8 135 137 A D > - 0 0 90 -2,-0.3 4,-2.7 1,-0.1 3,-0.3 -0.228 25.5-117.6 -55.8 146.5 40.2 -24.4 -44.1 136 138 A E H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.867 112.4 56.2 -59.2 -40.6 40.2 -21.0 -42.3 137 139 A A H > S+ 0 0 55 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 111.8 42.0 -57.2 -45.3 36.9 -19.9 -43.9 138 140 A Q H > S+ 0 0 78 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.892 113.4 51.2 -75.0 -38.9 35.1 -23.0 -42.6 139 141 A E H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.940 111.0 48.7 -62.8 -42.4 36.7 -22.9 -39.1 140 142 A R H X S+ 0 0 99 -4,-2.7 4,-2.2 -5,-0.2 5,-0.2 0.915 110.4 52.1 -62.5 -40.3 35.8 -19.2 -38.7 141 143 A E H X S+ 0 0 133 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.916 108.7 50.2 -62.1 -44.2 32.2 -20.0 -39.8 142 144 A H H X S+ 0 0 25 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.928 109.0 53.8 -54.1 -47.2 32.0 -22.8 -37.2 143 145 A M H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 108.7 46.1 -57.6 -49.5 33.3 -20.3 -34.6 144 146 A L H X S+ 0 0 89 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.871 112.6 51.8 -64.4 -36.8 30.6 -17.7 -35.2 145 147 A E H X S+ 0 0 75 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.881 106.1 54.2 -66.4 -39.7 27.9 -20.4 -35.3 146 148 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.937 109.7 47.9 -57.8 -43.9 29.1 -21.7 -31.9 147 149 A I H X S+ 0 0 17 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.908 110.8 52.0 -64.4 -40.7 28.8 -18.2 -30.5 148 150 A R H X S+ 0 0 156 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.956 112.2 43.8 -60.4 -53.0 25.3 -17.9 -32.0 149 151 A I H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.895 115.0 47.3 -59.7 -46.4 24.0 -21.1 -30.5 150 152 A L H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.2 6,-0.4 0.850 110.8 52.7 -68.5 -31.8 25.4 -20.7 -27.1 151 153 A T H X S+ 0 0 44 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.942 113.0 43.8 -66.7 -47.9 24.2 -17.1 -26.8 152 154 A E H < S+ 0 0 149 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.914 118.9 44.3 -62.7 -43.4 20.6 -18.1 -27.7 153 155 A L H < S+ 0 0 38 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.910 125.0 29.1 -72.7 -42.0 20.8 -21.1 -25.4 154 156 A T H < S- 0 0 33 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.705 101.4-119.8 -92.6 -22.2 22.4 -19.5 -22.3 155 157 A G S < S+ 0 0 59 -4,-2.3 2,-0.3 -5,-0.4 -4,-0.1 0.163 89.5 59.0 99.8 -19.7 21.1 -15.9 -22.7 156 158 A E S S- 0 0 144 -6,-0.4 -2,-0.2 0, 0.0 -1,-0.1 -0.987 90.1-101.3-138.9 149.6 24.6 -14.4 -23.0 157 159 A R - 0 0 72 -2,-0.3 2,-0.1 1,-0.1 -36,-0.1 -0.332 45.1-100.0 -68.2 150.8 27.5 -14.9 -25.4 158 160 A P - 0 0 5 0, 0.0 -36,-0.1 0, 0.0 -1,-0.1 -0.459 26.7-165.4 -70.1 145.3 30.4 -17.1 -24.2 159 161 A L S S+ 0 0 45 -38,-0.4 22,-2.5 21,-0.1 23,-1.7 0.438 70.0 55.7-111.5 -5.1 33.5 -15.1 -23.0 160 162 A G E - f 0 182A 0 -39,-0.3 -37,-2.2 20,-0.2 2,-0.3 -0.894 64.6-160.1-125.7 160.7 35.9 -18.1 -23.1 161 163 A W E +ef 123 183A 6 21,-0.8 23,-2.2 -2,-0.3 24,-0.3 -1.000 15.0 166.9-140.9 138.9 37.0 -20.5 -25.9 162 164 A Y + 0 0 14 -39,-2.3 -2,-0.0 -2,-0.3 21,-0.0 -0.819 5.6 170.3-151.4 113.5 38.6 -24.0 -26.0 163 165 A T - 0 0 7 -2,-0.3 2,-1.0 1,-0.2 -1,-0.1 0.908 21.9-162.0 -81.3 -46.9 38.7 -26.2 -29.1 164 166 A G S S+ 0 0 16 -36,-0.0 2,-2.0 -34,-0.0 -1,-0.2 -0.796 79.0 52.9 95.9 -89.0 41.1 -28.8 -27.9 165 167 A R S S+ 0 0 50 -2,-1.0 -34,-3.0 -36,-0.2 -33,-0.3 -0.501 86.7 178.7 -82.5 75.4 42.2 -30.4 -31.2 166 168 A T - 0 0 47 -2,-2.0 -34,-0.2 -36,-0.2 -36,-0.0 -0.222 21.4-144.9 -71.3 158.8 43.2 -27.1 -32.8 167 169 A G > - 0 0 10 -36,-0.2 3,-0.7 -37,-0.1 4,-0.4 -0.585 44.3 -82.6-107.8-175.5 44.8 -26.4 -36.2 168 170 A P T 3 S+ 0 0 100 0, 0.0 4,-0.2 0, 0.0 -36,-0.1 0.628 127.9 41.6 -62.5 -15.5 47.4 -23.7 -37.1 169 171 A N T 3> S+ 0 0 40 -38,-0.2 4,-2.4 -37,-0.1 5,-0.2 0.603 85.5 94.5-106.6 -14.7 44.6 -21.0 -37.4 170 172 A T H <> S+ 0 0 0 -3,-0.7 4,-2.4 1,-0.2 5,-0.2 0.884 89.5 39.1 -50.0 -59.8 42.3 -21.7 -34.4 171 173 A R H > S+ 0 0 49 -4,-0.4 4,-2.7 1,-0.2 5,-0.3 0.903 113.8 55.3 -63.7 -39.6 43.7 -19.3 -31.8 172 174 A R H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 110.6 46.4 -57.6 -44.2 44.4 -16.6 -34.3 173 175 A L H X S+ 0 0 3 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.920 110.3 52.6 -65.6 -44.2 40.7 -16.7 -35.4 174 176 A V H X S+ 0 0 1 -4,-2.4 4,-0.7 -5,-0.2 3,-0.4 0.944 113.8 42.7 -55.6 -47.0 39.5 -16.8 -31.8 175 177 A M H >< S+ 0 0 12 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.858 109.9 58.1 -73.1 -30.2 41.5 -13.7 -30.9 176 178 A E H 3< S+ 0 0 96 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.821 92.4 68.8 -65.6 -31.3 40.5 -12.0 -34.2 177 179 A E H 3< S- 0 0 60 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.827 90.0-151.2 -61.0 -34.8 36.8 -12.3 -33.4 178 180 A G << + 0 0 47 -4,-0.7 -1,-0.1 -3,-0.7 -3,-0.1 0.116 68.9 90.2 94.0 -21.5 37.3 -9.7 -30.6 179 181 A G + 0 0 24 -5,-0.2 2,-0.3 -19,-0.0 -4,-0.1 0.519 62.0 92.8 -95.4 -6.3 34.5 -10.8 -28.2 180 182 A F - 0 0 12 -6,-0.4 -20,-0.2 1,-0.1 -21,-0.1 -0.641 53.9-158.9 -90.6 144.4 36.3 -13.3 -26.0 181 183 A L S S- 0 0 57 -22,-2.5 24,-2.0 -2,-0.3 2,-0.3 0.774 76.4 -9.5 -81.3 -31.8 38.0 -12.4 -22.7 182 184 A Y E -fg 160 205A 0 -23,-1.7 -21,-0.8 22,-0.2 2,-0.3 -0.978 53.3-148.1-156.9 162.8 40.2 -15.5 -22.8 183 185 A D E -fg 161 206A 0 22,-1.8 24,-2.5 -2,-0.3 -21,-0.2 -0.959 6.6-156.5-135.7 166.8 41.0 -18.8 -24.4 184 186 A C + 0 0 0 -23,-2.2 2,-1.5 -2,-0.3 25,-0.6 0.167 51.6 123.0-126.6 15.6 42.4 -22.1 -23.0 185 187 A D + 0 0 11 -24,-0.3 2,-0.3 23,-0.1 -14,-0.1 -0.223 59.4 78.1 -81.9 47.4 44.0 -23.7 -26.0 186 188 A T - 0 0 15 -2,-1.5 23,-2.9 21,-0.2 3,-0.1 -0.974 51.6-166.9-147.0 161.5 47.5 -24.0 -24.5 187 189 A Y + 0 0 99 -2,-0.3 24,-0.1 21,-0.2 -2,-0.1 -0.244 60.4 109.5-137.3 40.8 49.2 -26.3 -22.0 188 190 A D + 0 0 81 3,-0.1 2,-0.3 22,-0.0 -1,-0.1 0.345 69.3 22.7-114.8 2.0 52.3 -24.0 -21.6 189 191 A D - 0 0 52 20,-0.2 4,-0.1 -3,-0.1 -3,-0.1 -0.977 56.4-127.4-160.9 171.4 52.2 -22.5 -18.1 190 192 A D S S+ 0 0 82 -2,-0.3 61,-2.5 2,-0.1 -1,-0.0 0.242 96.0 47.2-104.2 4.5 50.9 -22.7 -14.5 191 193 A L S S- 0 0 1 59,-0.2 -3,-0.1 15,-0.0 59,-0.1 -0.970 90.2 -99.8-142.4 152.0 49.6 -19.1 -14.6 192 194 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.347 41.6-175.9 -63.2 156.7 47.5 -17.0 -17.0 193 195 A Y E -H 206 0A 34 13,-1.9 13,-3.2 -4,-0.1 2,-0.4 -0.986 30.9-101.5-149.8 155.0 49.3 -14.6 -19.3 194 196 A W E -H 205 0A 40 -2,-0.3 11,-0.2 11,-0.2 13,-0.0 -0.624 46.7-106.7 -75.2 129.7 48.4 -11.9 -21.9 195 197 A E - 0 0 12 9,-2.9 3,-0.3 -2,-0.4 9,-0.3 -0.352 23.8-154.7 -54.2 125.2 48.7 -13.2 -25.5 196 198 A P S S+ 0 0 70 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.651 85.4 56.8 -77.2 -17.2 51.9 -11.5 -27.0 197 199 A N + 0 0 99 -193,-0.0 3,-0.1 1,-0.0 -2,-0.1 -0.598 63.9 127.8-116.0 69.4 50.5 -11.9 -30.6 198 200 A N > + 0 0 19 -2,-0.4 3,-2.2 -3,-0.3 -26,-0.0 -0.801 26.9 178.5-123.1 90.8 47.2 -10.1 -30.7 199 201 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 0.867 79.1 75.1 -62.2 -37.7 47.2 -7.6 -33.6 200 202 A T T 3 S- 0 0 69 1,-0.2 -24,-0.0 -3,-0.1 -2,-0.0 0.836 98.5-145.3 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A H < S+ 0 0 82 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.880 126.0 29.8 -76.4 -41.2 42.6 9.0 -1.4 601 300 B T H < S+ 0 0 45 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.786 134.2 21.4 -97.8 -35.5 40.4 11.7 -2.9 602 301 B H S < S- 0 0 47 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.1 -0.473 81.0-171.2-135.2 63.9 39.2 13.7 0.0 603 302 B P - 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.124 36.7 -89.3 -60.8 151.2 41.7 13.1 2.9 604 303 B Y 0 0 115 1,-0.1 -96,-0.0 -5,-0.0 -5,-0.0 -0.370 360.0 360.0 -59.5 135.3 40.9 14.4 6.4 605 304 B T 0 0 167 -3,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.287 360.0 360.0-132.4 360.0 42.3 17.9 6.9