==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-02 1M7J . COMPND 2 MOLECULE: D-AMINOACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES FAECALIS; . AUTHOR S.-H.LIAW,S.-J.CHEN,T.-P.KO,C.-S.HSU,A.H.-J.WANG,Y.-C.TSAI . 474 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.1 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 . 36 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 21.9 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 2 3 1 2 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 6 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 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 78 0, 0.0 41,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 151.5 42.7 28.9 3.1 2 8 A F B -a 42 0A 17 39,-2.7 41,-2.5 1,-0.1 42,-0.3 -0.487 360.0-128.1 -73.4 153.1 40.4 26.3 4.6 3 9 A D S S- 0 0 62 23,-2.0 2,-0.3 1,-0.3 24,-0.2 0.898 84.8 -21.8 -67.1 -38.3 41.8 24.4 7.6 4 10 A Y E -B 26 0B 9 22,-1.4 22,-2.8 39,-0.2 2,-0.4 -0.979 54.6-140.4-164.6 159.3 40.8 21.2 5.9 5 11 A I E -Bc 25 45B 0 39,-1.7 41,-2.6 -2,-0.3 2,-1.0 -0.997 15.3-141.4-125.4 130.8 38.6 19.7 3.3 6 12 A L E -Bc 24 46B 0 18,-3.1 18,-2.2 -2,-0.4 2,-0.4 -0.861 41.5-161.5 -90.0 106.1 36.8 16.3 3.8 7 13 A S E + c 0 47B 20 39,-2.7 41,-2.9 -2,-1.0 42,-0.2 -0.757 44.3 9.1-106.3 138.9 37.3 15.2 0.2 8 14 A G S S+ 0 0 39 -2,-0.4 42,-0.5 1,-0.2 -1,-0.2 0.479 89.5 110.7 88.5 2.1 35.7 12.7 -2.1 9 15 A G S S- 0 0 1 13,-0.4 13,-1.8 -3,-0.2 2,-0.5 -0.174 71.6 -91.9 -96.5-166.9 32.8 11.4 -0.1 10 16 A T E -Fg 21 52C 45 41,-2.5 43,-2.6 38,-0.3 2,-0.5 -0.940 33.8-143.2-110.3 122.8 29.0 11.6 -0.3 11 17 A V E -Fg 20 53C 0 9,-3.2 9,-1.9 -2,-0.5 2,-0.6 -0.779 14.3-173.2 -90.6 127.0 27.4 14.5 1.6 12 18 A I - 0 0 5 41,-2.3 7,-0.1 -2,-0.5 -2,-0.0 -0.965 17.0-161.9-112.9 104.3 24.0 13.7 3.3 13 19 A D - 0 0 13 -2,-0.6 402,-2.3 4,-0.2 41,-0.1 0.390 32.3-109.0 -81.4 3.6 23.3 17.3 4.3 14 20 A G S S+ 0 0 1 400,-0.2 387,-0.3 3,-0.2 386,-0.1 0.483 95.1 99.9 86.0 3.2 20.7 16.9 7.0 15 21 A T S S- 0 0 57 2,-0.1 379,-0.1 386,-0.1 399,-0.1 0.262 99.5-103.0-105.1 12.4 17.8 18.2 4.9 16 22 A N S S+ 0 0 67 377,-0.4 378,-0.1 1,-0.3 377,-0.1 0.957 78.2 130.5 65.8 55.1 16.3 14.9 3.9 17 23 A A - 0 0 32 376,-0.2 -1,-0.3 3,-0.0 -4,-0.2 -0.980 67.5 -90.7-132.6 143.8 17.7 14.8 0.4 18 24 A P - 0 0 96 0, 0.0 -5,-0.2 0, 0.0 -7,-0.1 -0.203 56.3 -94.3 -54.0 144.2 19.5 11.9 -1.3 19 25 A G - 0 0 32 -7,-0.1 2,-0.3 -9,-0.1 -7,-0.2 -0.221 40.5-160.1 -61.0 153.9 23.3 12.1 -0.8 20 26 A R E -F 11 0C 107 -9,-1.9 -9,-3.2 -3,-0.1 2,-0.4 -0.975 29.1-101.0-134.3 148.1 25.5 13.8 -3.5 21 27 A L E +F 10 0C 144 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.542 66.1 135.8 -67.9 120.8 29.2 13.5 -4.2 22 28 A A - 0 0 8 -13,-1.8 -13,-0.4 -2,-0.4 2,-0.2 -0.966 49.2-122.7-165.6 152.1 30.7 16.7 -2.7 23 29 A D E - D 0 35B 23 12,-3.1 12,-2.3 -2,-0.3 2,-0.5 -0.645 21.0-143.1 -94.6 158.7 33.6 17.9 -0.6 24 30 A V E -BD 6 34B 0 -18,-2.2 -18,-3.1 -2,-0.2 2,-0.4 -0.983 11.6-159.9-127.4 122.8 33.2 19.8 2.7 25 31 A G E -BD 5 33B 0 8,-2.9 7,-2.7 -2,-0.5 8,-1.3 -0.851 5.5-163.6-105.8 138.4 35.6 22.6 3.6 26 32 A V E -BD 4 31B 0 -22,-2.8 -23,-2.0 -2,-0.4 -22,-1.4 -0.941 12.0-177.5-122.6 137.0 36.0 23.9 7.2 27 33 A R E > - D 0 30B 127 3,-2.4 3,-2.0 -2,-0.4 2,-0.1 -0.968 68.1 -45.2-131.8 118.5 37.6 27.1 8.4 28 34 A G T 3 S- 0 0 41 -2,-0.4 4,-0.1 1,-0.3 -25,-0.0 -0.421 124.5 -19.0 60.1-128.1 37.7 27.5 12.2 29 35 A D T 3 S+ 0 0 42 -2,-0.1 392,-2.7 425,-0.1 2,-0.3 0.343 122.2 85.0 -92.1 8.5 34.4 26.4 13.7 30 36 A R E < S-DE 27 420B 74 -3,-2.0 -3,-2.4 390,-0.3 2,-0.7 -0.819 78.4-120.8-116.8 150.3 32.4 26.8 10.4 31 37 A I E -D 26 0B 1 388,-3.1 387,-3.3 -2,-0.3 -5,-0.3 -0.755 32.6-174.1 -76.6 117.6 31.6 24.9 7.3 32 38 A A E - 0 0 28 -7,-2.7 2,-0.3 -2,-0.7 -6,-0.2 0.837 58.2 -9.5 -86.1 -33.5 33.1 27.3 4.7 33 39 A A E -D 25 0B 21 -8,-1.3 -8,-2.9 -3,-0.1 2,-0.4 -0.988 50.1-155.3-164.3 157.2 31.9 25.5 1.6 34 40 A V E +D 24 0B 31 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 58.0 46.3-141.3 129.5 30.3 22.4 0.1 35 41 A G E S-D 23 0B 21 -12,-2.3 -12,-3.1 -2,-0.4 2,-0.9 -0.990 105.7 -7.4 142.5-150.7 30.7 21.1 -3.4 36 42 A D + 0 0 129 -2,-0.3 3,-0.3 -14,-0.2 -2,-0.1 -0.769 64.1 172.7 -81.7 106.5 33.6 20.5 -5.7 37 43 A L > + 0 0 11 -2,-0.9 3,-1.7 1,-0.2 -1,-0.1 0.115 38.4 115.5-105.6 21.6 36.3 22.2 -3.6 38 44 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.826 78.2 52.2 -56.8 -33.8 39.3 21.2 -5.7 39 45 A A T 3 S+ 0 0 102 -3,-0.3 2,-0.5 2,-0.1 -1,-0.3 0.466 90.6 93.9 -85.4 1.6 40.0 24.9 -6.5 40 46 A S S < S- 0 0 35 -3,-1.7 2,-0.1 -39,-0.0 -3,-0.0 -0.816 78.4-123.8 -97.1 128.0 39.9 26.0 -2.9 41 47 A S + 0 0 83 -2,-0.5 -39,-2.7 2,-0.0 2,-0.3 -0.434 37.8 173.5 -64.5 139.8 43.2 26.2 -1.0 42 48 A A B -a 2 0A 23 -41,-0.3 -39,-0.2 -2,-0.1 3,-0.1 -0.993 40.0-135.4-148.6 146.3 43.3 24.0 2.1 43 49 A R S S+ 0 0 181 -41,-2.5 2,-0.3 -2,-0.3 -39,-0.2 0.750 97.3 19.1 -71.8 -25.2 45.9 23.1 4.6 44 50 A R - 0 0 125 -42,-0.3 -39,-1.7 -41,-0.1 2,-0.5 -0.992 60.1-161.1-144.8 141.4 44.8 19.5 4.6 45 51 A R E -c 5 0B 115 -2,-0.3 2,-0.6 -41,-0.2 -39,-0.2 -0.921 20.7-159.3-125.8 98.4 42.7 17.5 2.1 46 52 A I E -c 6 0B 32 -41,-2.6 -39,-2.7 -2,-0.5 2,-0.5 -0.730 14.1-130.4 -87.7 118.1 41.4 14.4 3.9 47 53 A D E +c 7 0B 119 -2,-0.6 -39,-0.2 -41,-0.2 -41,-0.1 -0.550 35.8 162.9 -72.5 115.9 40.4 11.5 1.7 48 54 A V > + 0 0 1 -41,-2.9 3,-2.3 -2,-0.5 -38,-0.3 -0.102 16.2 158.9-121.9 32.3 36.9 10.2 2.7 49 55 A A T 3 + 0 0 54 1,-0.3 -40,-0.2 -42,-0.2 3,-0.1 -0.296 69.6 21.6 -56.4 139.2 36.2 8.3 -0.5 50 56 A G T 3 S+ 0 0 59 -42,-0.5 379,-0.3 1,-0.3 -1,-0.3 0.370 109.1 102.5 83.5 -4.8 33.5 5.7 0.1 51 57 A K < - 0 0 49 -3,-2.3 -41,-2.5 376,-0.2 2,-0.4 -0.614 68.2-125.3-108.5 165.6 32.2 7.5 3.2 52 58 A V E -gH 10 426C 5 374,-3.2 374,-2.4 -2,-0.2 2,-0.5 -0.905 13.3-154.8-105.9 136.6 29.3 9.7 4.0 53 59 A V E +gH 11 425C 1 -43,-2.6 -41,-2.3 -2,-0.4 372,-0.2 -0.982 29.9 161.7-107.9 121.0 29.9 13.2 5.5 54 60 A S E - H 0 424C 0 370,-2.6 370,-2.5 -2,-0.5 -41,-0.2 -0.781 45.8 -81.7-131.1 170.0 26.8 14.2 7.5 55 61 A P E - H 0 423C 1 0, 0.0 368,-0.3 0, 0.0 360,-0.1 -0.429 62.4 -87.8 -66.9 158.4 26.0 16.7 10.2 56 62 A G - 0 0 2 366,-1.9 2,-0.3 395,-0.1 26,-0.2 -0.324 51.1-102.0 -61.8 146.7 26.9 15.6 13.7 57 63 A F E -l 82 0D 0 24,-2.4 26,-2.8 366,-0.1 27,-1.4 -0.541 27.5-146.7 -79.3 138.7 24.2 13.7 15.4 58 64 A I E -l 84 0D 2 341,-2.9 2,-1.1 -2,-0.3 27,-0.2 -0.911 10.4-141.7-105.7 116.2 22.1 15.5 18.0 59 65 A D E -l 85 0D 0 25,-3.0 27,-2.3 -2,-0.6 3,-0.2 -0.688 14.2-167.7 -84.0 105.5 21.0 13.3 20.8 60 66 A S S S+ 0 0 0 297,-1.6 2,-0.4 -2,-1.1 298,-0.2 0.687 73.5 39.2 -66.6 -21.2 17.5 14.5 21.5 61 67 A H S S+ 0 0 1 296,-0.2 299,-2.9 215,-0.1 300,-0.5 -0.813 73.7 147.6-139.0 96.0 17.1 12.6 24.8 62 68 A T - 0 0 0 24,-1.8 27,-0.7 -2,-0.4 26,-0.1 -0.864 42.2-157.3-123.6 164.5 20.0 12.3 27.2 63 69 A H + 0 0 7 298,-0.7 3,-0.3 -2,-0.3 4,-0.3 -0.349 59.9 122.1-124.4 47.8 20.6 12.0 30.9 64 70 A D > + 0 0 1 22,-0.2 4,-2.4 1,-0.2 5,-0.2 0.316 26.9 118.0 -93.3 9.6 24.2 13.3 30.4 65 71 A D T 4 S+ 0 0 1 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.836 89.8 24.1 -44.6 -51.9 23.8 16.3 32.7 66 72 A N T >> S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 3,-1.1 0.761 113.6 67.0 -86.9 -28.8 26.5 15.1 35.1 67 73 A Y H 3> S+ 0 0 30 -4,-0.3 4,-2.7 1,-0.3 7,-0.3 0.871 94.6 60.5 -62.0 -33.9 28.4 12.9 32.7 68 74 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.782 111.4 40.6 -60.8 -30.2 29.4 16.1 30.8 69 75 A L H <4 S+ 0 0 32 -3,-1.1 3,-0.3 -5,-0.2 -2,-0.2 0.841 123.4 35.8 -85.8 -38.8 31.2 17.3 34.0 70 76 A K H < S+ 0 0 77 -4,-2.3 -2,-0.2 1,-0.2 2,-0.2 0.693 128.2 29.3 -91.6 -22.3 32.7 14.0 35.2 71 77 A H >< + 0 0 61 -4,-2.7 3,-2.3 -5,-0.2 -1,-0.2 -0.655 66.1 175.9-140.5 75.0 33.7 12.4 31.9 72 78 A R T 3 S+ 0 0 74 -3,-0.3 61,-2.6 1,-0.3 62,-0.2 0.699 72.9 71.4 -58.9 -25.1 34.4 15.3 29.5 73 79 A D T 3 S- 0 0 46 59,-0.2 -1,-0.3 60,-0.1 5,-0.2 0.767 82.1-159.0 -60.6 -30.6 35.5 12.9 26.8 74 80 A M X> + 0 0 0 -3,-2.3 4,-2.6 -7,-0.3 3,-1.7 0.808 22.9 169.1 53.0 37.3 31.8 11.8 26.4 75 81 A T H 3> + 0 0 19 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.816 64.6 60.5 -53.5 -39.8 33.0 8.6 24.7 76 82 A P H 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 6,-0.1 0.837 117.8 32.7 -58.4 -30.3 29.7 6.7 24.7 77 83 A K H X4>S+ 0 0 2 -3,-1.7 5,-2.2 2,-0.1 3,-1.7 0.896 117.9 47.6 -93.6 -48.4 28.3 9.5 22.6 78 84 A I H ><5S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -3,-0.2 0.855 104.7 62.6 -66.1 -29.3 31.1 10.8 20.4 79 85 A S T 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 -5,-0.3 368,-0.1 0.642 106.5 46.8 -65.7 -15.0 32.0 7.2 19.5 80 86 A Q T < 5S- 0 0 0 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.297 128.5 -95.5-103.3 0.7 28.6 6.9 17.8 81 87 A G T < 5S+ 0 0 0 -3,-1.7 -24,-2.4 1,-0.3 2,-0.3 0.495 71.9 151.3 98.4 4.2 28.8 10.3 16.0 82 88 A V E < +l 57 0D 0 -5,-2.2 -1,-0.3 -26,-0.2 -24,-0.2 -0.562 14.6 167.2 -76.1 133.5 27.0 12.5 18.5 83 89 A T E + 0 0 0 -26,-2.8 52,-2.8 1,-0.3 2,-0.3 0.536 65.9 33.5-117.3 -15.9 28.1 16.1 18.6 84 90 A T E -lm 58 135D 0 -27,-1.4 -25,-3.0 50,-0.2 2,-0.4 -0.991 64.2-159.6-143.0 138.2 25.4 17.7 20.7 85 91 A V E -lm 59 136D 0 50,-2.5 52,-2.7 -2,-0.3 2,-0.6 -0.959 12.1-144.4-120.2 139.9 23.4 16.4 23.6 86 92 A V E - m 0 137D 0 -27,-2.3 -24,-1.8 -2,-0.4 -22,-0.2 -0.924 32.6-172.3 -98.5 119.7 20.0 17.6 25.0 87 93 A T E + m 0 138D 0 50,-2.2 52,-1.7 -2,-0.6 -24,-0.1 -0.545 47.5 55.2-109.8 171.6 20.1 17.3 28.8 88 94 A G S S+ 0 0 0 50,-0.2 3,-0.4 -2,-0.2 93,-0.2 0.916 70.7 168.5 75.9 46.0 17.7 17.6 31.7 89 95 A N > + 0 0 1 -27,-0.7 3,-2.3 3,-0.2 -1,-0.2 -0.468 46.7 19.7 -95.7 158.3 15.0 15.2 30.6 90 96 A C T 3 S- 0 0 1 1,-0.3 -1,-0.2 92,-0.3 96,-0.2 0.731 130.0 -59.8 62.1 29.3 12.0 13.6 32.2 91 97 A G T 3 S+ 0 0 0 -3,-0.4 53,-1.7 91,-0.4 52,-0.9 0.423 113.3 119.2 81.2 -1.6 11.9 16.2 35.0 92 98 A I < + 0 0 2 -3,-2.3 2,-0.3 51,-0.2 -3,-0.2 -0.863 29.9 155.1-105.2 103.6 15.4 15.1 36.0 93 99 A S - 0 0 0 -2,-0.7 47,-0.1 48,-0.2 16,-0.1 -0.934 46.0-130.8-122.4 156.3 18.1 17.8 35.8 94 100 A L S S+ 0 0 0 -2,-0.3 23,-0.3 1,-0.1 3,-0.2 0.892 78.2 88.4 -71.0 -33.0 21.4 18.0 37.8 95 101 A A + 0 0 0 1,-0.2 46,-0.5 21,-0.1 50,-0.1 -0.864 67.8 28.3-126.0 155.4 20.7 21.6 38.8 96 102 A P S S+ 0 0 3 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 0.378 94.2 93.4 -93.9 121.3 19.4 23.5 40.7 97 103 A L E -O 117 0E 8 20,-2.3 2,-0.7 -3,-0.2 20,-0.6 -0.737 47.0-161.9-171.5 121.4 19.6 21.3 43.8 98 104 A A E +O 116 0E 73 -2,-0.2 2,-0.3 18,-0.2 18,-0.2 -0.932 42.1 138.4-106.7 109.5 22.1 20.8 46.6 99 105 A H - 0 0 75 16,-2.0 16,-0.5 -2,-0.7 14,-0.1 -0.950 47.1-154.3-157.4 130.0 21.3 17.4 48.0 100 106 A A S S+ 0 0 71 -2,-0.3 13,-0.4 1,-0.2 14,-0.1 0.701 98.1 23.6 -79.0 -18.9 23.4 14.5 49.3 101 107 A N S S- 0 0 124 11,-0.1 -1,-0.2 12,-0.1 3,-0.1 -0.482 80.9-169.5-145.5 66.3 20.7 11.8 48.6 102 108 A P - 0 0 9 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.240 33.3 -95.0 -60.9 148.5 18.3 13.1 46.0 103 109 A P > - 0 0 37 0, 0.0 3,-2.5 0, 0.0 4,-0.1 -0.353 60.5 -66.1 -65.9 138.9 15.1 11.0 45.4 104 110 A A T 3 S+ 0 0 27 1,-0.3 -3,-0.0 2,-0.2 0, 0.0 -0.351 119.7 31.8 -57.6 143.8 15.0 8.4 42.7 105 111 A P T > S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.913 109.6 69.2 -88.2 16.6 15.2 8.8 39.7 106 112 A L G X S+ 0 0 0 -3,-2.5 3,-2.0 1,-0.3 4,-0.3 0.800 87.8 73.3 -63.5 -24.2 17.4 11.8 40.3 107 113 A D G > S+ 0 0 27 1,-0.3 3,-1.0 -5,-0.2 -1,-0.3 0.652 74.7 79.1 -61.5 -15.3 20.0 9.3 41.4 108 114 A L G < S+ 0 0 6 -3,-2.0 256,-0.5 1,-0.2 -1,-0.3 0.723 98.0 44.5 -66.0 -19.1 20.5 8.2 37.8 109 115 A L G < S+ 0 0 0 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.530 95.8 103.9 -97.0 -5.6 22.7 11.3 37.4 110 116 A D < + 0 0 34 -3,-1.0 -3,-0.0 -4,-0.3 3,-0.0 -0.592 35.0 171.8 -92.5 135.4 24.6 10.9 40.7 111 117 A E S S- 0 0 92 -2,-0.3 -1,-0.1 1,-0.0 -4,-0.0 0.363 80.2 -61.1-107.3 -2.1 28.2 9.7 41.2 112 118 A G S S+ 0 0 61 -5,-0.0 -11,-0.1 0, 0.0 -12,-0.1 0.375 121.3 3.1 119.2 102.7 28.1 10.6 44.9 113 119 A G S S+ 0 0 49 -13,-0.4 -13,-0.1 -14,-0.1 -12,-0.1 0.750 84.9 135.4 67.0 25.0 27.6 14.2 46.1 114 120 A S + 0 0 3 1,-0.2 2,-1.8 -14,-0.1 3,-0.2 0.768 46.9 83.9 -76.5 -22.8 27.1 15.3 42.5 115 121 A F + 0 0 6 -16,-0.5 -16,-2.0 1,-0.2 -1,-0.2 -0.606 52.8 125.5 -83.3 83.1 24.1 17.5 43.2 116 122 A R E +O 98 0E 157 -2,-1.8 2,-0.8 -18,-0.2 -18,-0.2 0.288 32.2 105.0-121.9 4.7 26.1 20.5 44.3 117 123 A F E -O 97 0E 4 -20,-0.6 -20,-2.3 -23,-0.3 6,-0.1 -0.810 40.6-176.4 -99.3 109.3 24.7 23.3 42.2 118 124 A A S S+ 0 0 64 -2,-0.8 2,-0.4 -22,-0.2 -1,-0.2 0.766 75.4 35.4 -72.0 -27.1 22.4 25.7 44.0 119 125 A R S >> S- 0 0 150 1,-0.1 4,-1.1 -22,-0.1 3,-0.6 -0.947 78.0-128.9-128.0 145.5 21.6 27.7 40.9 120 126 A F H >> S+ 0 0 8 -2,-0.4 4,-2.1 1,-0.2 3,-0.6 0.897 110.3 60.2 -60.0 -38.8 21.2 26.5 37.4 121 127 A S H 3> S+ 0 0 28 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.821 97.8 59.4 -59.6 -29.8 23.7 29.2 36.2 122 128 A D H <> S+ 0 0 30 -3,-0.6 4,-1.7 2,-0.2 -1,-0.3 0.891 106.3 47.8 -64.0 -40.2 26.3 27.6 38.5 123 129 A Y H -p 181 0F 0 -46,-0.5 4,-2.1 -2,-0.4 -48,-0.2 -0.822 5.1-145.5-103.2 133.1 13.7 19.5 35.4 142 148 A H H > S+ 0 0 0 39,-3.2 4,-2.4 -2,-0.4 5,-0.2 0.814 102.1 54.1 -62.2 -32.0 10.5 20.0 37.3 143 149 A S H > S+ 0 0 2 -52,-0.9 4,-2.5 38,-0.3 -1,-0.2 0.892 107.8 50.2 -70.9 -36.6 11.2 17.0 39.6 144 150 A T H > S+ 0 0 0 -53,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.922 110.5 50.7 -62.8 -40.9 14.6 18.6 40.5 145 151 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 -54,-0.2 5,-0.2 0.915 110.3 49.1 -63.6 -41.3 12.7 21.9 41.2 146 152 A R H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 3,-0.2 0.925 110.6 50.3 -62.9 -42.0 10.2 20.0 43.4 147 153 A A H < S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.858 111.5 49.0 -65.7 -31.7 13.0 18.4 45.3 148 154 A A H < S+ 0 0 45 -4,-1.9 -1,-0.2 -52,-0.2 -2,-0.2 0.793 126.1 24.3 -75.7 -27.8 14.7 21.8 45.8 149 155 A V H < S+ 0 0 34 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.797 102.0 77.4-108.4 -38.3 11.5 23.5 47.0 150 156 A M < - 0 0 11 -4,-3.0 3,-0.2 -5,-0.2 -1,-0.1 -0.664 47.8-164.6 -92.4 126.2 9.0 21.1 48.6 151 157 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.808 91.5 34.9 -73.1 -25.8 9.4 19.6 52.0 152 158 A D - 0 0 74 1,-0.1 3,-0.3 3,-0.0 -5,-0.0 -0.956 64.2-175.5-129.9 112.8 6.8 17.0 51.2 153 159 A L + 0 0 37 -2,-0.5 2,-0.9 1,-0.2 38,-0.4 0.630 67.0 86.6 -81.6 -14.4 6.7 15.7 47.6 154 160 A R S S+ 0 0 197 36,-0.1 2,-0.3 37,-0.1 -1,-0.2 -0.124 88.5 44.5 -82.9 40.9 3.7 13.5 48.1 155 161 A R S S- 0 0 79 -2,-0.9 36,-0.2 -3,-0.3 2,-0.1 -0.959 97.0 -73.5-164.5 170.9 1.1 16.2 47.4 156 162 A E - 0 0 100 -2,-0.3 2,-0.2 36,-0.1 36,-0.1 -0.438 58.0-102.2 -71.0 151.3 0.3 19.0 45.0 157 163 A A - 0 0 7 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.503 32.0-126.3 -74.2 145.8 2.5 22.1 45.4 158 164 A T > - 0 0 66 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.333 32.2 -99.6 -80.1 171.2 0.9 25.1 47.1 159 165 A A H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 125.5 53.6 -61.8 -38.0 1.0 28.5 45.4 160 166 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.926 111.3 45.3 -62.2 -41.8 4.0 29.5 47.5 161 167 A E H > S+ 0 0 20 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.894 111.9 51.8 -67.3 -41.7 5.9 26.4 46.3 162 168 A I H X S+ 0 0 28 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.912 109.2 51.5 -59.8 -42.1 4.8 27.0 42.7 163 169 A Q H X S+ 0 0 115 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.934 110.9 47.0 -60.5 -43.7 6.1 30.5 43.0 164 170 A A H X S+ 0 0 42 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.925 114.9 46.0 -65.8 -42.1 9.4 29.3 44.3 165 171 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.918 111.7 51.5 -67.3 -41.3 9.7 26.6 41.6 166 172 A Q H X S+ 0 0 69 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.878 108.2 52.2 -63.1 -36.8 8.7 29.1 38.8 167 173 A A H X S+ 0 0 43 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.906 110.8 47.4 -66.0 -39.5 11.3 31.6 40.0 168 174 A L H X S+ 0 0 45 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.908 113.6 48.5 -66.3 -39.5 14.0 28.9 39.8 169 175 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.913 111.6 49.2 -66.0 -42.6 12.7 27.8 36.3 170 176 A D H X S+ 0 0 55 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.921 111.3 49.5 -64.7 -41.4 12.7 31.4 35.1 171 177 A D H X S+ 0 0 92 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.905 110.1 51.5 -62.8 -41.3 16.3 32.0 36.4 172 178 A A H X>S+ 0 0 0 -4,-2.3 5,-2.6 2,-0.2 4,-0.7 0.933 111.6 45.9 -61.4 -47.9 17.4 28.8 34.7 173 179 A L H ><5S+ 0 0 9 -4,-2.6 3,-1.2 3,-0.2 -2,-0.2 0.925 110.9 53.0 -61.5 -41.1 15.9 29.9 31.3 174 180 A A H 3<5S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 107.8 52.8 -62.4 -31.8 17.4 33.4 31.8 175 181 A S H 3<5S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.580 136.0 -79.7 -78.3 -13.2 20.8 31.7 32.3 176 182 A G T <<5S+ 0 0 11 -3,-1.2 -38,-0.3 -4,-0.7 -3,-0.2 0.393 76.0 147.7 130.7 -4.6 20.5 29.7 29.1 177 183 A A < - 0 0 10 -5,-2.6 -1,-0.3 -6,-0.2 -38,-0.2 -0.358 38.6-147.9 -59.7 145.8 18.3 26.7 29.7 178 184 A I - 0 0 2 -40,-2.5 32,-1.8 1,-0.1 2,-0.3 0.503 64.0 -33.0 -95.1 -4.8 16.4 25.8 26.5 179 185 A G E -pq 139 210F 0 -41,-0.5 -39,-2.2 30,-0.3 2,-0.4 -0.985 59.5 -92.9 174.3-175.0 13.3 24.4 28.2 180 186 A I E -pq 140 211F 0 30,-2.1 32,-2.3 -2,-0.3 2,-0.3 -0.989 31.0-159.5-127.8 137.1 11.7 22.7 31.1 181 187 A S E -pq 141 212F 0 -41,-2.2 -39,-3.2 -2,-0.4 2,-0.3 -0.847 3.0-162.8-116.5 157.6 11.0 18.9 31.3 182 188 A T E - q 0 213F 2 30,-2.0 32,-2.7 -2,-0.3 -91,-0.4 -0.904 14.7-175.9-132.1 160.1 8.6 16.9 33.5 183 189 A G E > + q 0 214F 0 -2,-0.3 3,-2.0 30,-0.2 6,-0.3 -0.380 11.7 166.5-153.9 71.8 8.2 13.3 34.4 184 190 A A T 3 + 0 0 6 30,-0.5 32,-0.1 1,-0.3 31,-0.1 0.527 69.9 78.4 -71.7 -4.8 5.0 12.8 36.5 185 191 A F T 3 S+ 0 0 22 29,-0.6 -1,-0.3 30,-0.2 5,-0.1 0.808 86.0 78.2 -64.1 -30.7 5.4 9.1 36.0 186 192 A Y S X> S- 0 0 12 -3,-2.0 3,-1.8 -96,-0.2 4,-1.1 -0.473 93.4-109.7 -88.1 155.7 8.1 9.2 38.7 187 193 A P G >4 S+ 0 0 67 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.832 111.0 59.1 -51.1 -42.3 7.6 9.4 42.5 188 194 A P G 34 S+ 0 0 2 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 0.739 122.9 23.7 -61.3 -21.3 8.9 12.9 43.0 189 195 A A G X4 S+ 0 0 0 -3,-1.8 3,-1.8 -6,-0.3 -5,-0.1 0.304 87.2 105.0-125.6 6.3 6.2 14.3 40.6 190 196 A A T << S+ 0 0 46 -4,-1.1 -36,-0.1 -3,-0.6 -6,-0.1 0.797 87.3 48.3 -62.1 -24.8 3.4 11.7 40.7 191 197 A H T 3 S+ 0 0 92 -4,-0.4 2,-0.3 -38,-0.4 -1,-0.3 0.386 84.2 114.5 -95.7 4.8 1.4 14.1 42.9 192 198 A A < - 0 0 2 -3,-1.8 -36,-0.1 -36,-0.1 2,-0.1 -0.581 62.2-137.4 -73.9 131.9 1.9 17.1 40.7 193 199 A S > - 0 0 32 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.387 21.0-111.6 -81.5 163.9 -1.3 18.3 39.2 194 200 A T H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.903 120.5 53.3 -60.7 -39.3 -1.6 19.4 35.5 195 201 A E H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.875 104.5 54.0 -66.3 -35.0 -2.2 22.9 36.8 196 202 A E H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 109.8 48.5 -61.5 -44.1 1.0 22.9 38.9 197 203 A I H X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.939 111.4 49.6 -61.4 -45.8 3.0 21.9 35.8 198 204 A I H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.937 111.6 48.0 -59.6 -47.9 1.4 24.6 33.8 199 205 A E H >< S+ 0 0 73 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.910 111.8 48.8 -63.9 -39.5 2.1 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 0.871 114.8 46.8 -66.6 -32.0 5.7 26.4 36.9 201 207 A C H >< S+ 0 0 0 -4,-2.0 3,-2.3 -5,-0.2 4,-0.3 0.466 76.6 106.0 -91.9 0.1 6.3 26.3 33.1 202 208 A R T XX + 0 0 90 -4,-0.8 3,-1.6 -3,-0.8 4,-0.5 0.818 69.0 67.8 -49.1 -37.9 4.7 29.6 32.2 203 209 A P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.646 77.7 84.1 -61.5 -15.1 8.0 31.4 31.6 204 210 A L H <>>S+ 0 0 0 -3,-2.3 5,-2.1 1,-0.2 4,-1.1 0.878 86.9 53.0 -55.0 -35.4 8.7 29.2 28.6 205 211 A I H <45S+ 0 0 92 -3,-1.6 3,-0.3 -4,-0.3 -1,-0.2 0.926 109.5 47.7 -69.8 -37.7 6.7 31.5 26.4 206 212 A T H <5S+ 0 0 119 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.851 120.1 37.9 -68.1 -37.1 8.7 34.6 27.5 207 213 A H H <5S- 0 0 68 -4,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.471 108.4-119.5 -94.2 -4.2 12.0 32.9 27.0 208 214 A G T <5 + 0 0 51 -4,-1.1 -3,-0.2 -3,-0.3 -4,-0.1 0.884 60.8 150.8 68.9 37.0 11.1 31.0 23.9 209 215 A G < - 0 0 3 -5,-2.1 -30,-0.3 -6,-0.2 2,-0.3 -0.405 41.3-115.4 -97.6 174.7 11.8 27.6 25.4 210 216 A V E -q 179 0F 10 -32,-1.8 -30,-2.1 28,-0.1 2,-0.5 -0.742 13.3-133.4-109.6 156.2 10.3 24.1 24.9 211 217 A Y E -qr 180 240F 2 28,-2.7 30,-2.2 -2,-0.3 2,-0.4 -0.966 26.4-172.3-108.1 121.3 8.3 21.8 27.2 212 218 A A E -qr 181 241F 0 -32,-2.3 -30,-2.0 -2,-0.5 2,-0.4 -0.901 5.1-166.9-117.5 145.3 9.6 18.2 27.2 213 219 A T E -qr 182 242F 4 28,-2.5 30,-2.9 -2,-0.4 2,-0.9 -0.980 37.2-157.5-146.9 135.3 7.9 15.3 28.9 214 220 A H E -q 183 0F 6 -32,-2.7 -29,-0.6 -2,-0.4 -30,-0.5 -0.935 57.6-120.5 -89.3 107.8 8.1 11.8 30.1 215 221 A M - 0 0 0 -2,-0.9 -30,-0.2 28,-0.3 3,-0.1 -0.061 13.3-109.7 -58.4 155.4 4.3 11.3 30.0 216 222 A R S S+ 0 0 71 9,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.804 101.0 6.5 -57.8 -32.7 2.4 10.4 33.1 217 223 A D - 0 0 42 4,-0.2 -1,-0.2 5,-0.1 8,-0.1 -0.984 52.2-171.6-149.3 145.5 1.7 6.9 31.8 218 224 A E S S+ 0 0 6 -2,-0.3 30,-2.2 -3,-0.1 -2,-0.0 0.123 76.2 44.1-124.6 21.1 2.9 5.1 28.7 219 225 A G S > S- 0 0 2 28,-0.2 3,-2.0 32,-0.0 4,-0.3 0.162 118.3 -1.5-126.7-116.9 0.7 2.0 29.0 220 226 A E T 3 S+ 0 0 137 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.826 138.1 38.0 -53.6 -37.0 -3.0 1.5 29.8 221 227 A H T 3> S+ 0 0 93 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.001 77.2 119.3-108.1 31.8 -3.6 5.3 30.3 222 228 A I H <> S+ 0 0 0 -3,-2.0 4,-2.7 1,-0.2 5,-0.2 0.840 72.1 57.1 -68.7 -31.5 -1.4 6.6 27.6 223 229 A V H > S+ 0 0 28 -3,-0.3 4,-2.9 -4,-0.3 -1,-0.2 0.950 108.7 46.7 -64.4 -42.9 -4.3 8.3 25.7 224 230 A Q H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 113.2 49.9 -63.6 -35.5 -5.1 10.3 28.9 225 231 A A H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -9,-0.2 0.865 110.7 49.0 -71.9 -36.8 -1.4 11.1 29.3 226 232 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.938 111.6 49.6 -64.8 -46.5 -1.2 12.3 25.6 227 233 A E H X S+ 0 0 84 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.901 109.4 51.7 -61.9 -39.0 -4.2 14.4 26.1 228 234 A E H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.944 110.9 48.9 -60.6 -44.3 -2.7 15.9 29.3 229 235 A T H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 111.1 47.9 -62.8 -43.0 0.4 16.7 27.3 230 236 A F H X S+ 0 0 4 -4,-2.8 4,-2.1 2,-0.2 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