==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-NOV-03 1V51 . COMPND 2 MOLECULE: D-AMINOACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR W.L.LAI,L.Y.CHOU,C.Y.TING,Y.C.TSAI,S.H.LIAW . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 11.6 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 . 4 0.8 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 . 32 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.7 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 1 1 3 2 1 2 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 6 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 . 3 3 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 1 1 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 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 7 A P 0 0 74 0, 0.0 41,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.8 42.5 28.9 3.0 2 8 A F B -a 42 0A 35 39,-2.7 41,-2.1 1,-0.1 25,-0.3 -0.467 360.0-129.0 -76.5 154.8 40.2 26.3 4.6 3 9 A D S S- 0 0 56 23,-2.3 2,-0.3 1,-0.3 24,-0.2 0.890 84.7 -20.1 -70.3 -38.2 41.7 24.3 7.5 4 10 A Y E -B 26 0B 19 22,-1.5 22,-2.8 39,-0.2 2,-0.4 -0.982 54.2-142.9-162.7 160.6 40.7 21.1 5.7 5 11 A I E -Bc 25 45B 0 39,-1.5 41,-2.7 -2,-0.3 2,-0.9 -0.994 14.2-143.3-129.1 133.6 38.4 19.6 3.1 6 12 A L E -Bc 24 46B 0 18,-2.8 18,-2.0 -2,-0.4 2,-0.3 -0.903 39.9-163.8 -95.1 108.1 36.8 16.2 3.5 7 13 A S E + c 0 47B 21 39,-2.8 41,-3.2 -2,-0.9 42,-0.4 -0.782 44.1 12.1-111.8 145.2 37.0 15.2 -0.2 8 14 A G S S+ 0 0 39 -2,-0.3 42,-0.5 1,-0.2 -1,-0.2 0.476 89.4 111.6 84.5 6.5 35.5 12.6 -2.5 9 15 A G S S- 0 0 1 13,-0.4 13,-1.8 -3,-0.2 2,-0.5 -0.243 71.8 -92.8-100.2-168.8 32.6 11.3 -0.4 10 16 A T E -Fg 21 52C 46 41,-2.6 43,-2.6 38,-0.3 2,-0.5 -0.930 33.7-144.2-108.8 122.7 28.8 11.5 -0.5 11 17 A V E -Fg 20 53C 0 9,-3.2 9,-1.8 -2,-0.5 2,-0.7 -0.774 15.2-174.6 -91.2 125.4 27.2 14.4 1.5 12 18 A I - 0 0 6 41,-2.2 7,-0.1 -2,-0.5 -2,-0.0 -0.958 17.3-162.0-114.1 102.9 23.9 13.6 3.2 13 19 A D - 0 0 15 -2,-0.7 402,-2.2 4,-0.2 41,-0.1 0.388 32.8-109.0 -76.3 1.1 23.2 17.2 4.3 14 20 A G S S+ 0 0 0 400,-0.2 387,-0.3 3,-0.2 386,-0.1 0.483 95.0 100.7 87.2 3.0 20.6 16.7 7.0 15 21 A T S S- 0 0 57 2,-0.1 379,-0.1 386,-0.1 399,-0.1 0.271 100.1-101.9-103.7 10.8 17.7 18.2 5.0 16 22 A N S S+ 0 0 65 377,-0.4 378,-0.1 1,-0.3 377,-0.1 0.968 78.6 130.8 67.1 57.2 16.2 14.8 4.0 17 23 A A - 0 0 33 376,-0.2 -1,-0.3 3,-0.0 -3,-0.2 -0.986 66.9 -90.4-136.4 142.1 17.5 14.7 0.5 18 24 A P - 0 0 95 0, 0.0 -5,-0.1 0, 0.0 -7,-0.1 -0.208 55.5 -95.9 -53.5 142.5 19.3 11.8 -1.3 19 25 A G - 0 0 33 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.2 -0.179 41.4-164.3 -60.5 152.6 23.1 12.0 -0.9 20 26 A R E -F 11 0C 106 -9,-1.8 -9,-3.2 -3,-0.1 2,-0.3 -0.980 29.9 -97.0-137.8 151.6 25.2 13.6 -3.6 21 27 A L E +F 10 0C 139 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.524 65.2 134.0 -69.6 126.0 28.9 13.6 -4.3 22 28 A A - 0 0 8 -13,-1.8 -13,-0.4 -2,-0.3 2,-0.2 -0.956 49.8-120.4-169.8 152.7 30.5 16.7 -2.8 23 29 A D E - D 0 35B 22 12,-3.3 12,-2.3 -2,-0.3 2,-0.5 -0.632 22.0-144.1 -94.7 157.9 33.4 17.9 -0.8 24 30 A V E -BD 6 34B 0 -18,-2.0 -18,-2.8 -2,-0.2 2,-0.4 -0.987 11.7-159.7-126.8 120.5 33.0 19.7 2.5 25 31 A G E -BD 5 33B 0 8,-2.8 7,-2.9 -2,-0.5 8,-1.3 -0.858 5.1-164.1-104.8 138.5 35.4 22.5 3.5 26 32 A V E -BD 4 31B 0 -22,-2.8 -23,-2.3 -2,-0.4 -22,-1.5 -0.947 11.7-177.8-123.7 137.4 35.9 23.7 7.0 27 33 A R E > - D 0 30B 120 3,-2.4 3,-2.0 -2,-0.4 2,-0.1 -0.974 68.6 -44.6-132.3 116.1 37.5 26.9 8.4 28 34 A G T 3 S- 0 0 41 -2,-0.4 4,-0.1 1,-0.3 -25,-0.0 -0.418 124.3 -19.8 62.0-129.2 37.7 27.2 12.1 29 35 A D T 3 S+ 0 0 42 -2,-0.1 392,-2.6 425,-0.1 2,-0.3 0.341 122.3 85.7 -94.7 10.6 34.4 26.1 13.6 30 36 A R E < S-DE 27 420B 70 -3,-2.0 -3,-2.4 390,-0.3 2,-0.7 -0.819 78.2-122.2-118.4 151.4 32.4 26.6 10.4 31 37 A I E -D 26 0B 1 388,-3.1 387,-3.2 -2,-0.3 -5,-0.3 -0.772 32.5-173.5 -79.8 118.7 31.5 24.7 7.3 32 38 A A E - 0 0 40 -7,-2.9 2,-0.3 -2,-0.7 -6,-0.2 0.803 57.3 -9.7 -89.1 -30.6 32.9 27.1 4.7 33 39 A A E -D 25 0B 21 -8,-1.3 -8,-2.8 384,-0.1 2,-0.4 -0.988 50.9-153.4-164.1 159.1 31.7 25.5 1.5 34 40 A V E +D 24 0B 33 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 58.1 44.9-141.9 130.7 30.1 22.4 0.1 35 41 A G E S-D 23 0B 20 -12,-2.3 -12,-3.3 -2,-0.4 2,-1.0 -0.994 106.0 -7.2 140.8-147.6 30.5 21.1 -3.5 36 42 A D + 0 0 134 -2,-0.3 3,-0.3 -14,-0.2 -2,-0.1 -0.787 63.7 171.3 -86.2 107.3 33.4 20.6 -5.8 37 43 A L > + 0 0 11 -2,-1.0 3,-1.8 1,-0.2 -1,-0.1 0.094 36.9 117.0-105.9 21.6 36.1 22.3 -3.8 38 44 A S T 3 S+ 0 0 80 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.837 78.2 51.9 -57.6 -32.7 39.1 21.3 -5.9 39 45 A A T 3 S+ 0 0 102 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.456 90.5 94.1 -86.1 1.2 39.8 25.0 -6.6 40 46 A S S < S- 0 0 35 -3,-1.8 2,-0.1 -39,-0.0 -3,-0.0 -0.813 79.4-121.0 -96.3 130.7 39.7 26.1 -3.0 41 47 A S + 0 0 82 -2,-0.5 -39,-2.7 2,-0.0 2,-0.3 -0.453 39.1 173.8 -66.1 137.4 43.0 26.3 -1.1 42 48 A A B -a 2 0A 22 -41,-0.2 -39,-0.2 -2,-0.1 3,-0.1 -0.993 39.3-137.2-147.1 145.6 43.1 24.0 2.0 43 49 A R S S+ 0 0 173 -41,-2.1 2,-0.3 -2,-0.3 -39,-0.2 0.739 97.0 19.1 -74.5 -23.9 45.8 23.1 4.5 44 50 A R - 0 0 143 -42,-0.2 -39,-1.5 -41,-0.1 2,-0.5 -0.991 61.1-161.0-145.3 142.7 44.7 19.4 4.3 45 51 A R E -c 5 0B 116 -2,-0.3 2,-0.6 -41,-0.2 -39,-0.2 -0.906 19.7-160.4-128.0 98.3 42.6 17.5 1.8 46 52 A I E -c 6 0B 28 -41,-2.7 -39,-2.8 -2,-0.5 2,-0.4 -0.711 13.7-131.8 -88.1 119.1 41.3 14.4 3.5 47 53 A D E +c 7 0B 117 -2,-0.6 -39,-0.2 -41,-0.2 -41,-0.1 -0.546 35.3 161.7 -73.3 121.3 40.2 11.5 1.3 48 54 A V > + 0 0 3 -41,-3.2 3,-2.4 -2,-0.4 -38,-0.3 0.005 15.9 155.6-126.3 27.5 36.8 10.2 2.3 49 55 A A T 3 + 0 0 51 -42,-0.4 -40,-0.2 1,-0.3 3,-0.1 -0.263 69.8 25.9 -53.9 140.4 35.8 8.4 -0.9 50 56 A G T 3 S+ 0 0 60 -42,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.279 108.6 97.8 87.5 -12.5 33.4 5.6 -0.2 51 57 A K < - 0 0 48 -3,-2.4 -41,-2.6 376,-0.1 2,-0.4 -0.592 69.9-124.1-106.9 168.4 32.1 7.3 2.9 52 58 A V E -gH 10 426C 5 374,-3.0 374,-2.2 -43,-0.2 2,-0.6 -0.906 13.8-153.9-109.5 136.6 29.2 9.6 3.8 53 59 A V E +gH 11 425C 0 -43,-2.6 -41,-2.2 -2,-0.4 372,-0.2 -0.977 29.5 162.2-110.1 118.4 29.7 13.0 5.3 54 60 A S E - H 0 424C 0 370,-2.5 370,-2.6 -2,-0.6 -41,-0.2 -0.772 45.0 -83.2-127.5 173.0 26.7 14.0 7.4 55 61 A P E - H 0 423C 1 0, 0.0 368,-0.3 0, 0.0 360,-0.1 -0.399 62.3 -86.4 -72.0 161.9 26.0 16.5 10.1 56 62 A G - 0 0 2 366,-1.7 2,-0.2 395,-0.1 26,-0.2 -0.373 51.4-102.9 -65.3 147.8 26.9 15.4 13.6 57 63 A F E -l 82 0D 0 24,-2.4 26,-2.9 366,-0.1 27,-1.4 -0.534 28.0-145.8 -78.3 138.1 24.2 13.4 15.3 58 64 A I E -l 84 0D 2 341,-3.0 2,-1.2 -2,-0.2 27,-0.2 -0.910 9.2-141.0-106.1 117.3 22.1 15.2 17.9 59 65 A D E -l 85 0D 0 25,-3.0 27,-2.2 -2,-0.6 3,-0.2 -0.669 15.4-168.8 -83.0 101.4 21.1 13.0 20.8 60 66 A S S S+ 0 0 0 297,-1.7 2,-0.4 -2,-1.2 298,-0.2 0.694 73.1 36.8 -63.6 -21.5 17.5 14.3 21.5 61 67 A H S S+ 0 0 0 296,-0.2 299,-2.8 215,-0.1 300,-0.4 -0.824 74.9 145.9-140.7 100.1 17.1 12.4 24.8 62 68 A T - 0 0 0 24,-1.8 27,-0.7 -2,-0.4 300,-0.1 -0.832 43.4-153.9-129.1 167.1 20.0 11.9 27.2 63 69 A H + 0 0 6 298,-0.7 3,-0.3 -2,-0.3 4,-0.3 -0.373 59.6 123.3-127.5 45.6 20.8 11.7 30.9 64 70 A D > + 0 0 1 22,-0.2 4,-2.5 1,-0.2 5,-0.2 0.302 27.7 118.2 -90.7 7.7 24.3 12.9 30.4 65 71 A D T 4 S+ 0 0 2 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.844 89.5 22.9 -41.1 -53.2 24.0 15.9 32.8 66 72 A N T >> S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 3,-1.4 0.778 114.4 66.7 -89.4 -31.3 26.7 14.6 35.1 67 73 A Y H 3> S+ 0 0 30 -4,-0.3 4,-2.9 1,-0.3 7,-0.2 0.871 93.9 62.0 -58.9 -33.8 28.6 12.4 32.7 68 74 A L H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.778 111.4 39.5 -61.0 -27.6 29.6 15.6 30.8 69 75 A L H <4 S+ 0 0 32 -3,-1.4 3,-0.4 -5,-0.2 -2,-0.2 0.836 122.7 37.3 -89.0 -40.8 31.4 16.7 34.0 70 76 A K H < S+ 0 0 81 -4,-2.3 2,-0.2 1,-0.2 -2,-0.2 0.789 128.8 28.3 -85.4 -29.0 32.9 13.4 35.1 71 77 A H >< + 0 0 69 -4,-2.9 3,-2.1 -5,-0.3 -1,-0.2 -0.639 65.6 174.8-134.7 75.0 33.9 11.9 31.7 72 78 A R T 3 S+ 0 0 77 -3,-0.4 61,-2.4 1,-0.3 62,-0.2 0.698 73.4 71.4 -55.8 -24.8 34.5 14.8 29.4 73 79 A D T 3 S- 0 0 45 59,-0.2 -1,-0.3 60,-0.1 5,-0.2 0.810 82.1-160.0 -62.3 -30.0 35.6 12.4 26.6 74 80 A M X> + 0 0 0 -3,-2.1 4,-2.5 -7,-0.2 3,-1.5 0.811 22.7 168.2 50.8 37.8 32.0 11.3 26.2 75 81 A T H 3> + 0 0 21 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.809 64.5 62.2 -50.7 -41.5 33.1 8.2 24.5 76 82 A P H 34 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.856 117.6 31.4 -56.3 -32.1 29.7 6.3 24.6 77 83 A K H X4>S+ 0 0 0 -3,-1.5 5,-2.1 2,-0.1 3,-1.6 0.896 117.8 48.7 -94.1 -48.4 28.3 9.1 22.4 78 84 A I H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.3 -3,-0.2 0.845 104.3 62.8 -64.6 -27.5 31.1 10.4 20.2 79 85 A S T 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.3 368,-0.1 0.665 106.1 47.6 -68.8 -13.6 32.0 6.7 19.3 80 86 A Q T < 5S- 0 0 0 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.373 127.8 -97.2-101.6 -4.1 28.5 6.6 17.7 81 87 A G T < 5S+ 0 0 0 -3,-1.4 -24,-2.4 -4,-0.4 2,-0.3 0.482 71.6 151.3 99.1 4.3 28.8 10.0 15.8 82 88 A V E < +l 57 0D 0 -5,-2.1 -1,-0.3 -26,-0.2 -24,-0.2 -0.543 15.0 167.4 -75.0 130.8 27.0 12.1 18.4 83 89 A T E + 0 0 0 -26,-2.9 52,-3.1 1,-0.3 2,-0.3 0.533 66.4 33.1-116.8 -15.0 28.2 15.8 18.5 84 90 A T E -lm 58 135D 0 -27,-1.4 -25,-3.0 50,-0.3 2,-0.4 -0.993 64.0-161.2-144.6 138.3 25.4 17.4 20.7 85 91 A V E -lm 59 136D 0 50,-2.3 52,-2.8 -2,-0.3 2,-0.6 -0.966 13.0-143.3-122.9 140.5 23.4 16.0 23.6 86 92 A V E - m 0 137D 0 -27,-2.2 -24,-1.8 -2,-0.4 52,-0.2 -0.919 32.4-170.0-100.9 119.9 20.1 17.3 25.0 87 93 A T E + m 0 138D 0 50,-2.3 52,-1.3 -2,-0.6 -24,-0.1 -0.494 47.8 53.3-108.6 175.0 20.2 16.9 28.8 88 94 A G S S+ 0 0 0 50,-0.2 3,-0.4 -2,-0.2 93,-0.2 0.938 70.3 169.6 68.5 52.4 17.9 17.2 31.8 89 95 A N > + 0 0 1 -27,-0.7 3,-2.0 3,-0.3 -1,-0.2 -0.525 47.1 21.4 -97.8 159.4 15.1 14.9 30.7 90 96 A C T 3 S- 0 0 2 1,-0.3 -1,-0.2 92,-0.3 96,-0.2 0.748 130.9 -59.7 59.3 30.7 12.1 13.4 32.3 91 97 A G T 3 S+ 0 0 0 -3,-0.4 53,-1.6 91,-0.4 52,-0.8 0.424 112.7 122.2 78.8 2.0 12.1 16.0 35.0 92 98 A I < + 0 0 2 -3,-2.0 2,-0.3 51,-0.2 -3,-0.3 -0.851 28.3 153.9-104.2 103.7 15.6 14.9 36.0 93 99 A S - 0 0 0 -2,-0.7 47,-0.1 48,-0.2 16,-0.1 -0.922 46.5-130.9-124.7 154.5 18.4 17.5 35.9 94 100 A L S S+ 0 0 0 -2,-0.3 23,-0.3 1,-0.1 3,-0.2 0.874 78.2 88.9 -70.1 -32.8 21.6 17.6 37.9 95 101 A A + 0 0 0 1,-0.2 46,-0.5 21,-0.1 50,-0.1 -0.901 67.5 27.9-126.2 155.4 20.9 21.2 38.9 96 102 A P S S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.367 92.8 95.6 -95.3 125.0 19.7 23.1 40.8 97 103 A L E -O 117 0E 9 20,-2.3 2,-0.7 -3,-0.2 20,-0.6 -0.735 44.5-164.6-173.3 122.0 19.9 20.9 43.9 98 104 A A E +O 116 0E 73 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.919 44.5 129.1-110.5 101.5 22.3 20.5 46.8 99 105 A H - 0 0 78 16,-1.5 16,-0.4 -2,-0.7 14,-0.1 -0.956 48.7-153.7-155.3 134.1 21.4 17.1 48.3 100 106 A A S S+ 0 0 68 -2,-0.3 13,-0.3 1,-0.2 14,-0.1 0.480 98.7 34.1 -88.8 -3.5 23.6 14.1 49.2 101 107 A N S S- 0 0 129 14,-0.1 -1,-0.2 11,-0.1 3,-0.1 -0.308 78.4-177.5-146.3 56.4 20.7 11.6 48.8 102 108 A P - 0 0 10 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.216 36.7 -98.6 -57.0 146.8 18.3 12.9 46.0 103 109 A P > - 0 0 40 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.367 57.4 -66.1 -70.2 144.7 15.2 10.7 45.5 104 110 A A T 3 S+ 0 0 27 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.387 119.1 34.2 -61.7 147.3 15.1 8.1 42.7 105 111 A P T > S+ 0 0 2 0, 0.0 3,-2.1 0, 0.0 -1,-0.3 -0.936 110.3 68.8 -85.0 15.7 15.2 8.4 39.7 106 112 A L G X S+ 0 0 0 -3,-2.3 3,-2.2 1,-0.3 4,-0.5 0.841 86.7 72.8 -62.7 -27.0 17.5 11.4 40.3 107 113 A D G 3 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.618 73.8 82.7 -63.5 -8.5 20.1 8.9 41.5 108 114 A L G < S+ 0 0 4 -3,-2.1 256,-0.5 1,-0.2 -1,-0.3 0.694 97.8 41.0 -67.6 -15.7 20.5 7.9 37.8 109 115 A L S < S+ 0 0 0 -3,-2.2 2,-0.3 -4,-0.2 -1,-0.2 0.558 95.8 105.5-103.9 -12.8 22.8 10.9 37.5 110 116 A D + 0 0 35 -4,-0.5 -3,-0.0 -3,-0.4 3,-0.0 -0.529 33.7 171.5 -82.8 133.2 24.6 10.5 40.8 111 117 A E S S- 0 0 93 -2,-0.3 -1,-0.1 1,-0.0 -4,-0.0 0.127 79.7 -59.3-115.3 14.3 28.2 9.2 41.2 112 118 A G S S+ 0 0 63 -5,-0.1 -11,-0.1 -12,-0.0 -12,-0.1 0.622 121.1 0.8 105.5 99.4 28.2 10.1 44.9 113 119 A G S S+ 0 0 46 -13,-0.3 -13,-0.1 -14,-0.1 -12,-0.1 0.705 84.5 135.9 69.0 21.2 27.7 13.7 46.1 114 120 A S + 0 0 4 1,-0.2 2,-1.9 -14,-0.1 3,-0.3 0.763 47.1 84.5 -71.4 -26.5 27.3 14.9 42.5 115 121 A F + 0 0 6 -16,-0.4 -16,-1.5 1,-0.2 -1,-0.2 -0.575 52.1 123.5 -81.5 83.9 24.3 17.1 43.3 116 122 A R E +O 98 0E 153 -2,-1.9 2,-0.8 -18,-0.2 -1,-0.2 0.319 32.7 107.7-121.9 -0.8 26.3 20.1 44.4 117 123 A F E -O 97 0E 8 -20,-0.6 -20,-2.3 -23,-0.3 6,-0.1 -0.743 39.0-177.6 -91.6 108.5 25.0 22.9 42.2 118 124 A A S S+ 0 0 66 -2,-0.8 2,-0.4 -22,-0.2 -1,-0.2 0.769 75.2 36.9 -73.0 -26.0 22.8 25.4 44.1 119 125 A R S >> S- 0 0 149 1,-0.1 4,-1.1 -22,-0.1 3,-0.5 -0.960 76.2-131.9-127.3 146.0 22.1 27.4 40.9 120 126 A F H >> S+ 0 0 11 -2,-0.4 4,-2.0 1,-0.2 3,-0.5 0.889 109.2 60.0 -62.4 -36.3 21.6 26.2 37.3 121 127 A S H 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.846 98.0 57.3 -61.1 -34.1 24.0 28.8 36.2 122 128 A D H <> S+ 0 0 46 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.852 106.3 50.9 -64.2 -34.9 26.8 27.3 38.3 123 129 A Y H -p 181 0F 0 -46,-0.5 4,-2.1 -2,-0.4 3,-0.2 -0.817 5.3-144.7-103.7 134.0 13.9 19.3 35.4 142 148 A H H > S+ 0 0 0 39,-3.0 4,-2.3 -2,-0.4 40,-0.1 0.821 102.3 53.7 -59.7 -35.4 10.7 19.7 37.3 143 149 A S H > S+ 0 0 2 -52,-0.8 4,-2.5 38,-0.2 -1,-0.2 0.885 107.6 50.9 -69.4 -35.9 11.4 16.8 39.7 144 150 A T H > S+ 0 0 0 -53,-1.6 4,-1.9 -3,-0.2 -2,-0.2 0.917 110.6 49.9 -65.0 -40.3 14.8 18.3 40.6 145 151 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -54,-0.2 5,-0.3 0.900 109.7 50.7 -65.0 -39.2 13.0 21.6 41.3 146 152 A R H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.932 110.0 50.0 -62.8 -43.8 10.4 19.8 43.5 147 153 A A H < S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.8 49.0 -63.3 -33.2 13.3 18.2 45.4 148 154 A A H < S+ 0 0 45 -4,-1.9 -1,-0.2 -52,-0.2 -2,-0.2 0.802 125.4 25.6 -75.6 -27.8 14.9 21.6 45.9 149 155 A V H < S+ 0 0 36 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.825 102.8 75.0-106.5 -41.1 11.8 23.3 47.1 150 156 A M < - 0 0 9 -4,-2.9 3,-0.2 -5,-0.3 -1,-0.1 -0.673 49.8-163.2 -88.9 124.2 9.3 20.9 48.7 151 157 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.888 91.8 32.1 -65.6 -36.7 9.9 19.5 52.2 152 158 A D - 0 0 51 1,-0.1 3,-0.2 3,-0.0 -5,-0.0 -0.982 64.1-175.0-126.0 118.1 7.3 16.8 51.4 153 159 A L + 0 0 36 -2,-0.5 2,-1.2 1,-0.2 38,-0.4 0.584 66.4 88.2 -87.4 -13.3 7.0 15.5 47.9 154 160 A R S S+ 0 0 190 36,-0.1 2,-0.3 37,-0.1 -1,-0.2 -0.203 89.0 45.5 -83.8 47.9 4.0 13.2 48.5 155 161 A R S S- 0 0 78 -2,-1.2 36,-0.2 -3,-0.2 2,-0.1 -0.962 97.0 -73.8-170.9 168.9 1.4 16.0 47.9 156 162 A E - 0 0 101 -2,-0.3 2,-0.2 36,-0.1 36,-0.1 -0.438 56.5-103.1 -73.6 149.3 0.5 18.8 45.5 157 163 A A - 0 0 6 -2,-0.1 -1,-0.1 34,-0.1 36,-0.1 -0.487 30.7-125.1 -75.1 146.2 2.6 21.9 45.7 158 164 A T > - 0 0 68 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.320 32.4-100.0 -79.9 169.9 1.3 25.0 47.5 159 165 A A H > S+ 0 0 65 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.917 125.7 52.8 -59.4 -40.6 1.2 28.4 45.7 160 166 A D H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 110.4 45.8 -61.2 -43.0 4.3 29.4 47.5 161 167 A E H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.889 111.7 51.9 -67.7 -39.9 6.2 26.3 46.4 162 168 A I H X S+ 0 0 20 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.929 110.4 49.7 -61.0 -44.0 5.0 26.7 42.8 163 169 A Q H X S+ 0 0 116 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.895 110.9 48.8 -61.9 -41.2 6.2 30.3 42.9 164 170 A A H X S+ 0 0 40 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.900 113.5 46.4 -66.2 -42.2 9.7 29.1 44.2 165 171 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 111.4 51.6 -66.8 -41.4 10.0 26.4 41.6 166 172 A Q H X S+ 0 0 65 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.894 107.5 53.6 -60.9 -39.7 8.9 28.8 38.9 167 173 A A H X S+ 0 0 42 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.894 110.7 45.8 -62.3 -41.8 11.5 31.3 40.0 168 174 A L H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.899 113.3 49.8 -67.3 -41.2 14.3 28.7 39.8 169 175 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 110.3 50.2 -65.3 -40.4 13.0 27.6 36.4 170 176 A D H X S+ 0 0 44 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.915 110.4 49.8 -64.8 -42.2 13.0 31.1 35.1 171 177 A D H X S+ 0 0 96 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.894 109.5 52.0 -62.5 -39.7 16.5 31.7 36.3 172 178 A A H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-0.8 0.939 111.4 45.8 -62.8 -47.8 17.6 28.5 34.6 173 179 A L H ><5S+ 0 0 10 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.926 111.8 51.9 -61.9 -42.5 16.1 29.6 31.3 174 180 A A H 3<5S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.3 53.4 -61.1 -34.8 17.6 33.0 31.7 175 181 A S H 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.590 136.0 -79.4 -75.4 -15.5 21.0 31.4 32.3 176 182 A G T <<5S+ 0 0 9 -3,-1.1 -38,-0.3 -4,-0.8 -3,-0.2 0.405 77.1 146.2 132.3 -2.4 20.9 29.3 29.1 177 183 A A < - 0 0 10 -5,-2.5 -1,-0.3 -6,-0.1 -38,-0.2 -0.370 39.1-147.9 -63.6 145.3 18.6 26.3 29.7 178 184 A I - 0 0 3 -40,-2.5 32,-1.7 1,-0.1 2,-0.3 0.446 64.8 -27.2 -97.0 0.0 16.7 25.4 26.5 179 185 A G E -pq 139 210F 0 -41,-0.5 -39,-1.9 30,-0.3 2,-0.4 -0.981 60.5 -99.2 173.6-177.3 13.6 24.1 28.2 180 186 A I E -pq 140 211F 0 30,-2.1 32,-2.3 -2,-0.3 2,-0.3 -0.992 31.5-158.7-128.9 137.8 12.0 22.4 31.2 181 187 A S E -pq 141 212F 0 -41,-2.3 -39,-3.0 -2,-0.4 2,-0.3 -0.839 3.7-163.5-117.4 157.1 11.2 18.7 31.4 182 188 A T E - q 0 213F 1 30,-1.9 32,-2.5 -2,-0.3 -91,-0.4 -0.907 15.2-175.3-132.8 163.0 8.8 16.7 33.6 183 189 A G > + 0 0 0 -2,-0.3 3,-1.8 30,-0.2 6,-0.4 -0.409 12.2 166.5-155.9 69.1 8.3 13.1 34.6 184 190 A A T 3 S+ 0 0 5 30,-0.5 32,-0.1 1,-0.3 31,-0.1 0.536 70.0 77.6 -68.1 -7.1 5.1 12.8 36.6 185 191 A F T 3 S+ 0 0 24 29,-0.5 -1,-0.3 30,-0.1 5,-0.1 0.825 86.2 79.0 -67.1 -31.3 5.3 9.0 36.2 186 192 A Y S X> S- 0 0 11 -3,-1.8 3,-1.6 -96,-0.2 4,-0.9 -0.424 93.2-109.7 -84.0 154.1 8.1 9.0 38.9 187 193 A P G >4 S+ 0 0 66 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.835 111.1 59.2 -48.1 -46.2 7.7 9.2 42.7 188 194 A P G 34 S+ 0 0 2 0, 0.0 -4,-0.1 0, 0.0 3,-0.1 0.789 122.7 24.1 -58.9 -23.9 9.0 12.8 43.2 189 195 A A G X4 S+ 0 0 0 -3,-1.6 3,-1.6 -6,-0.4 -5,-0.1 0.298 87.5 104.6-124.1 9.8 6.4 14.2 40.9 190 196 A A T << S+ 0 0 47 -4,-0.9 -1,-0.1 -3,-0.7 -36,-0.1 0.819 86.3 49.4 -63.3 -28.1 3.5 11.7 41.0 191 197 A H T 3 S+ 0 0 100 -4,-0.4 -1,-0.3 -38,-0.4 2,-0.3 0.449 84.7 115.0 -90.0 -0.7 1.5 14.0 43.2 192 198 A A < - 0 0 2 -3,-1.6 2,-0.1 -36,-0.1 -36,-0.1 -0.524 60.6-138.5 -72.9 132.1 2.1 17.0 41.0 193 199 A S > - 0 0 30 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.409 22.7-112.0 -83.3 164.9 -1.1 18.3 39.4 194 200 A T H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 120.5 56.7 -62.3 -36.9 -1.4 19.5 35.8 195 201 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 104.2 51.0 -61.3 -43.1 -1.9 23.0 37.2 196 202 A E H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.943 111.1 48.6 -60.5 -46.8 1.4 22.8 39.2 197 203 A I H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.932 111.3 49.6 -59.8 -46.7 3.3 21.8 36.1 198 204 A I H < S+ 0 0 8 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.933 112.9 45.6 -60.1 -45.4 1.8 24.5 33.9 199 205 A E H >< S+ 0 0 50 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.880 110.6 52.4 -70.1 -35.5 2.5 27.3 36.4 200 206 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.8 49.2 -66.1 -30.9 6.1 26.2 37.1 201 207 A C T >< S+ 0 0 0 -4,-1.7 3,-2.3 -5,-0.2 4,-0.4 0.390 74.5 106.6 -91.7 4.6 6.7 26.2 33.3 202 208 A R T X> + 0 0 85 -3,-1.0 3,-1.0 -4,-0.4 4,-0.8 0.796 67.3 71.8 -52.5 -32.4 5.3 29.7 32.5 203 209 A P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.723 81.8 75.9 -59.3 -16.8 8.8 31.0 32.0 204 210 A L H <>>S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.2 5,-0.9 0.904 92.1 48.7 -62.2 -41.7 9.0 29.0 28.7 205 211 A I H <45S+ 0 0 103 -3,-1.0 -1,-0.2 -4,-0.4 -3,-0.1 0.862 115.4 46.7 -69.1 -28.7 6.8 31.4 26.7 206 212 A T H <5S+ 0 0 107 -4,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.904 124.5 28.6 -76.0 -46.0 8.9 34.3 28.0 207 213 A H H <5S- 0 0 83 -4,-2.6 -2,-0.2 2,-0.0 -3,-0.2 0.496 108.1-121.0 -95.1 -7.8 12.4 32.9 27.4 208 214 A G T <5 + 0 0 52 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.872 56.7 138.2 74.1 45.6 11.4 30.7 24.4 209 215 A G < - 0 0 6 -5,-0.9 -30,-0.3 -6,-0.1 2,-0.3 -0.396 48.8 -96.2-109.3-171.5 12.2 27.0 25.3 210 216 A V E -q 179 0F 9 -32,-1.7 -30,-2.1 -2,-0.1 2,-0.6 -0.701 19.1-132.4-105.7 158.0 10.5 23.7 24.9 211 217 A Y E -qr 180 240F 2 28,-2.6 30,-2.6 -2,-0.3 2,-0.4 -0.960 30.1-170.7-105.7 117.4 8.4 21.6 27.3 212 218 A A E -qr 181 241F 0 -32,-2.3 -30,-1.9 -2,-0.6 2,-0.4 -0.894 5.4-167.1-111.8 143.9 9.7 18.0 27.3 213 219 A T E -qr 182 242F 4 28,-2.6 30,-2.7 -2,-0.4 2,-0.9 -0.981 37.4-157.2-145.6 139.2 7.9 15.1 29.0 214 220 A H - 0 0 7 -32,-2.5 -29,-0.5 -2,-0.4 -30,-0.5 -0.940 57.4-119.4 -95.1 107.1 8.1 11.6 30.2 215 221 A M - 0 0 0 -2,-0.9 -30,-0.1 28,-0.3 3,-0.1 -0.074 12.2-110.9 -56.5 153.2 4.3 11.2 30.1 216 222 A R S S+ 0 0 70 9,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.786 102.0 7.8 -55.4 -32.2 2.4 10.4 33.3 217 223 A D - 0 0 45 4,-0.2 -1,-0.2 5,-0.1 8,-0.1 -0.981 52.7-173.0-148.7 143.7 1.6 6.9 31.9 218 224 A E S S+ 0 0 6 -2,-0.3 30,-2.2 -3,-0.1 -2,-0.0 0.061 75.6 43.9-124.5 23.0 2.8 5.0 28.8 219 225 A G S > S- 0 0 2 28,-0.2 3,-2.0 32,-0.0 4,-0.3 0.098 117.8 -1.8-128.6-118.4 0.5 2.0 29.1 220 226 A E T 3 S+ 0 0 138 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.820 138.6 37.5 -52.3 -37.9 -3.2 1.5 29.8 221 227 A H T 3> S+ 0 0 97 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.023 77.3 120.3-105.7 28.9 -3.8 5.2 30.4 222 228 A I H <> S+ 0 0 0 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.853 71.8 58.4 -63.3 -30.7 -1.5 6.5 27.7 223 229 A V H > S+ 0 0 29 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.944 107.9 45.5 -63.3 -44.4 -4.4 8.3 26.0 224 230 A Q H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 112.9 51.7 -64.7 -35.6 -5.1 10.3 29.1 225 231 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 2,-0.2 -9,-0.2 0.875 110.2 48.2 -69.7 -37.5 -1.4 11.0 29.5 226 232 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.940 110.6 51.3 -66.7 -46.0 -1.2 12.2 25.9 227 233 A E H X S+ 0 0 84 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.888 108.6 51.5 -60.1 -36.0 -4.2 14.4 26.4 228 234 A E H X S+ 0 0 28 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.930 110.8 49.5 -65.2 -42.3 -2.6 15.9 29.5 229 235 A T H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 111.2 46.8 -61.6 -47.2 0.5 16.7 27.5 230 236 A F H X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.891 111.7 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