==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-MAR-09 3GIP . COMPND 2 MOLECULE: N-ACYL-D-GLUTAMATE DEACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR A.A.FEDOROV,E.V.FEDOROV,J.CUMMINGS,F.M.RAUSHEL,S.C.ALMO . 948 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 89 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 9.9 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 . 6 0.6 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 . 57 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.5 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 4 0 0 2 8 2 2 2 0 3 1 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 9 4 3 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 . 6 2 4 8 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 . 0 0 4 2 4 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 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 5 A E 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.5 -9.4 31.9 10.9 2 6 A K - 0 0 103 1,-0.1 41,-0.2 41,-0.1 2,-0.2 -0.213 360.0-124.2 -56.2 137.9 -9.0 33.8 14.2 3 7 A L E -a 43 0A 0 39,-2.0 41,-2.5 1,-0.1 25,-0.2 -0.554 3.3-144.1 -82.5 148.7 -6.2 36.4 14.3 4 8 A D E S+ 0 0 41 23,-2.4 41,-0.6 1,-0.3 2,-0.3 0.798 84.2 2.1 -81.4 -29.2 -3.6 36.1 17.0 5 9 A F E -aB 45 27A 9 22,-1.8 22,-3.3 39,-0.2 2,-0.3 -0.991 61.0-172.2-155.2 150.2 -3.4 39.9 17.3 6 10 A K E -aB 46 26A 28 39,-1.0 41,-2.4 -2,-0.3 2,-0.5 -0.984 9.1-159.3-148.3 138.1 -5.1 43.0 15.8 7 11 A I E -aB 47 25A 1 18,-2.6 18,-2.4 -2,-0.3 2,-0.2 -0.965 26.7-175.9-120.2 111.3 -4.2 46.7 16.1 8 12 A T E +a 48 0A 34 39,-2.5 41,-3.2 -2,-0.5 42,-0.3 -0.678 46.0 24.2-114.7 163.7 -7.2 48.9 15.3 9 13 A G S S+ 0 0 13 -2,-0.2 42,-0.6 1,-0.2 43,-0.1 0.357 90.3 110.7 74.6 -3.5 -8.2 52.5 14.9 10 14 A G S S- 0 0 0 13,-0.3 13,-1.3 40,-0.2 2,-0.5 -0.239 70.7-102.4 -96.4-175.6 -4.8 53.8 14.1 11 15 A W E -Ef 22 53B 117 41,-2.5 43,-2.8 38,-0.3 2,-0.4 -0.936 32.9-136.6-110.3 126.1 -2.9 55.3 11.2 12 16 A I E -Ef 21 54B 1 9,-3.6 9,-2.0 -2,-0.5 2,-0.6 -0.697 20.9-179.0 -88.7 127.5 -0.5 53.1 9.3 13 17 A I - 0 0 2 41,-2.3 7,-0.1 -2,-0.4 -2,-0.0 -0.949 13.7-170.5-119.3 99.5 2.9 54.3 8.2 14 18 A D - 0 0 18 -2,-0.6 402,-1.8 41,-0.2 41,-0.1 0.416 40.5-107.6 -77.8 -0.4 4.1 51.1 6.4 15 19 A G S S+ 0 0 1 3,-0.2 387,-0.3 400,-0.2 388,-0.2 0.326 96.1 102.4 93.0 -8.7 7.7 52.1 5.8 16 20 A T S S- 0 0 82 400,-0.1 379,-0.1 2,-0.1 399,-0.0 0.580 95.9-112.0 -83.8 -10.7 7.4 52.6 2.1 17 21 A G S S+ 0 0 36 1,-0.3 378,-0.1 377,-0.2 3,-0.1 0.279 73.3 138.4 95.8 -9.2 7.3 56.4 2.4 18 22 A A - 0 0 39 1,-0.1 -1,-0.3 376,-0.1 -3,-0.2 -0.286 66.6 -81.4 -67.1 154.2 3.6 56.4 1.3 19 23 A P - 0 0 104 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.245 55.7 -93.7 -57.4 143.1 1.3 58.8 3.1 20 24 A R - 0 0 90 -3,-0.1 2,-0.4 -7,-0.1 -7,-0.2 -0.240 48.4-160.5 -56.0 143.0 -0.1 57.5 6.4 21 25 A R E -E 12 0B 99 -9,-2.0 -9,-3.6 -3,-0.1 2,-0.7 -0.983 23.5-112.2-135.2 145.1 -3.5 55.8 6.0 22 26 A R E +E 11 0B 106 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.624 64.6 123.7 -75.0 110.1 -6.3 54.8 8.3 23 27 A A - 0 0 8 -13,-1.3 2,-0.3 -2,-0.7 -13,-0.3 -0.984 54.3-115.9-163.2 158.5 -6.3 51.0 8.5 24 28 A D E - C 0 36A 0 12,-3.3 12,-2.3 -2,-0.3 2,-0.5 -0.705 23.2-138.0-100.7 154.5 -6.2 48.1 11.0 25 29 A L E -BC 7 35A 0 -18,-2.4 -18,-2.6 -2,-0.3 2,-0.4 -0.948 13.5-161.5-116.6 130.3 -3.4 45.5 11.2 26 30 A G E -BC 6 34A 0 8,-3.3 7,-1.9 -2,-0.5 8,-1.4 -0.901 4.2-163.6-112.8 140.1 -4.0 41.8 11.7 27 31 A V E +BC 5 32A 0 -22,-3.3 -23,-2.4 -2,-0.4 -22,-1.8 -0.957 13.5 164.7-125.4 139.9 -1.4 39.3 12.8 28 32 A R E > - C 0 31A 52 3,-2.6 3,-1.8 -2,-0.4 -25,-0.1 -0.954 69.4 -1.8-153.7 132.7 -1.4 35.5 12.7 29 33 A D T 3 S- 0 0 114 -2,-0.3 3,-0.1 1,-0.3 426,-0.1 0.843 128.5 -57.2 56.9 36.6 1.4 33.0 13.2 30 34 A G T 3 S+ 0 0 13 1,-0.2 392,-3.1 425,-0.1 -1,-0.3 0.381 119.4 97.9 79.2 -2.7 3.9 35.8 13.7 31 35 A R E < S-CD 28 421A 85 -3,-1.8 -3,-2.6 390,-0.3 2,-0.8 -0.734 87.3 -95.5-116.6 163.8 3.2 37.4 10.3 32 36 A I E +C 27 0A 2 388,-2.9 387,-3.1 385,-0.3 -5,-0.3 -0.693 42.1 179.9 -77.5 110.8 1.0 40.3 9.1 33 37 A A E - 0 0 36 -7,-1.9 2,-0.3 -2,-0.8 -6,-0.2 0.721 58.1 -9.4 -87.3 -24.9 -2.1 38.4 8.0 34 38 A A E -C 26 0A 30 -8,-1.4 -8,-3.3 383,-0.1 2,-0.4 -0.976 48.8-153.3-170.2 157.1 -4.2 41.3 6.8 35 39 A I E +C 25 0A 42 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 60.0 48.8-140.3 129.0 -4.5 45.1 6.6 36 40 A G E S+C 24 0A 27 -12,-2.3 -12,-3.3 -2,-0.4 2,-0.7 -0.972 99.2 4.3 150.0-131.7 -7.7 47.0 6.3 37 41 A E + 0 0 148 -2,-0.3 3,-0.1 -14,-0.2 -2,-0.1 -0.827 59.8 149.7 -94.8 111.9 -11.0 46.9 8.3 38 42 A L > + 0 0 13 -2,-0.7 3,-1.3 1,-0.1 -1,-0.1 0.183 29.0 117.8-125.9 15.2 -10.7 44.4 11.1 39 43 A G T 3 S+ 0 0 39 1,-0.3 -1,-0.1 -15,-0.0 -31,-0.1 0.845 88.4 32.3 -52.0 -40.4 -13.1 45.9 13.7 40 44 A A T 3 S+ 0 0 100 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.358 93.2 111.5-100.2 4.5 -15.4 42.9 13.7 41 45 A H S < S- 0 0 54 -3,-1.3 -3,-0.1 1,-0.1 -39,-0.0 -0.699 72.4-120.0 -84.3 118.0 -12.7 40.3 13.0 42 46 A P + 0 0 83 0, 0.0 -39,-2.0 0, 0.0 2,-0.3 -0.207 38.1 175.0 -55.8 143.1 -12.1 38.1 16.1 43 47 A A E -a 3 0A 23 -41,-0.2 -39,-0.2 1,-0.1 3,-0.1 -0.993 39.8-132.8-152.0 148.0 -8.6 38.1 17.6 44 48 A R E S+ 0 0 136 -41,-2.5 2,-0.3 -2,-0.3 -39,-0.2 0.870 99.0 18.2 -68.0 -38.0 -6.8 36.6 20.6 45 49 A H E S-a 5 0A 107 -41,-0.6 -39,-1.0 -42,-0.2 2,-0.3 -0.971 72.3-173.5-133.6 148.9 -5.3 39.9 21.5 46 50 A A E -a 6 0A 58 -2,-0.3 2,-0.4 -41,-0.2 -39,-0.2 -0.995 9.3-161.6-149.1 140.3 -6.2 43.4 20.4 47 51 A W E -a 7 0A 50 -41,-2.4 -39,-2.5 -2,-0.3 2,-0.9 -0.946 18.9-135.5-120.6 141.1 -4.8 46.9 20.8 48 52 A D E +a 8 0A 117 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.845 23.2 177.2 -96.7 105.0 -6.6 50.2 20.3 49 53 A A > + 0 0 1 -41,-3.2 3,-2.3 -2,-0.9 -38,-0.3 0.104 21.5 151.3 -95.0 20.8 -4.3 52.4 18.3 50 54 A S T 3 S+ 0 0 65 1,-0.3 -40,-0.2 -42,-0.3 3,-0.1 -0.293 74.9 11.1 -53.5 132.4 -6.8 55.3 18.0 51 55 A G T 3 S+ 0 0 49 -42,-0.6 -1,-0.3 1,-0.3 2,-0.3 0.664 115.4 101.1 71.4 16.7 -4.8 58.5 17.7 52 56 A K S < S- 0 0 55 -3,-2.3 -41,-2.5 376,-0.2 2,-0.4 -0.825 71.2-116.6-129.4 168.3 -1.6 56.6 17.2 53 57 A I E -fG 11 427B 3 374,-3.3 374,-2.3 -2,-0.3 2,-0.6 -0.856 18.9-154.3-104.2 138.4 0.8 55.6 14.3 54 58 A V E +fG 12 426B 1 -43,-2.8 -41,-2.3 -2,-0.4 372,-0.2 -0.972 30.8 159.1-114.4 115.6 1.2 51.9 13.6 55 59 A A E - G 0 425B 0 370,-2.8 370,-2.6 -2,-0.6 -41,-0.2 -0.809 46.8 -80.0-133.5 171.4 4.6 51.3 11.9 56 60 A P E - G 0 424B 2 0, 0.0 368,-0.3 0, 0.0 3,-0.1 -0.459 63.4 -92.5 -69.5 148.6 7.2 48.6 11.3 57 61 A G - 0 0 2 366,-1.8 26,-0.2 395,-0.1 2,-0.2 -0.288 51.2 -99.7 -58.6 147.4 9.3 48.0 14.3 58 62 A F E -j 83 0C 0 24,-2.6 26,-2.6 -3,-0.1 27,-1.5 -0.455 27.7-141.2 -75.4 143.1 12.5 50.0 14.2 59 63 A I E -j 85 0C 2 341,-3.0 2,-1.1 24,-0.2 299,-0.3 -0.907 5.7-152.7-108.0 110.6 15.8 48.5 13.1 60 64 A D E -j 86 0C 0 25,-2.8 27,-2.8 -2,-0.7 3,-0.3 -0.719 12.4-175.6 -84.1 100.0 18.8 49.6 15.0 61 65 A V S S+ 0 0 0 297,-1.4 2,-0.3 -2,-1.1 298,-0.2 0.550 72.3 53.4 -75.9 -7.9 21.6 49.1 12.5 62 66 A H S S+ 0 0 0 296,-0.3 299,-2.4 215,-0.1 300,-0.3 -0.570 71.4 145.7-130.5 75.0 24.4 50.1 14.9 63 67 A G - 0 0 0 24,-2.7 27,-0.9 -3,-0.3 26,-0.2 -0.701 35.6-168.3-107.5 159.3 24.2 48.0 18.0 64 68 A H + 0 0 2 298,-0.5 3,-0.4 -2,-0.3 24,-0.1 -0.083 57.2 116.5-128.0 26.5 27.0 46.7 20.3 65 69 A D >> + 0 0 0 1,-0.2 3,-1.9 22,-0.1 4,-0.7 0.195 29.3 130.3 -84.4 17.3 24.6 44.4 22.2 66 70 A D T 34 S+ 0 0 1 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.801 80.8 27.7 -37.0 -51.7 26.4 41.3 21.0 67 71 A L T >> S+ 0 0 2 -3,-0.4 4,-2.0 44,-0.4 3,-0.9 0.378 98.8 88.2 -99.2 3.5 26.7 39.7 24.4 68 72 A M H <> S+ 0 0 0 -3,-1.9 4,-1.7 1,-0.2 7,-0.2 0.710 71.0 73.5 -75.5 -20.5 23.6 41.2 26.1 69 73 A F H 3< S+ 0 0 4 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.720 114.3 26.8 -66.4 -17.6 21.2 38.5 24.9 70 74 A V H <4 S+ 0 0 66 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.724 128.6 43.0-109.5 -37.3 22.9 36.3 27.6 71 75 A E H < S+ 0 0 65 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.934 134.7 8.7 -76.0 -50.4 24.1 39.0 30.0 72 76 A K S >< S+ 0 0 77 -4,-1.7 3,-1.5 -5,-0.1 -1,-0.2 -0.589 71.7 178.0-134.5 70.4 21.0 41.3 30.2 73 77 A P T 3 + 0 0 42 0, 0.0 60,-0.4 0, 0.0 -1,-0.1 0.588 65.4 78.3 -49.4 -21.3 18.2 39.5 28.3 74 78 A D T 3 - 0 0 81 1,-0.1 5,-0.2 -6,-0.1 -5,-0.1 0.850 67.5-168.8 -62.7 -34.7 15.5 42.1 28.9 75 79 A L X> + 0 0 0 -3,-1.5 3,-1.9 -7,-0.2 4,-1.9 0.790 27.3 154.0 49.0 30.7 16.9 44.4 26.2 76 80 A R H 3> + 0 0 78 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.770 61.4 67.1 -60.7 -27.2 14.5 47.0 27.6 77 81 A W H 34 S+ 0 0 12 2,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.738 109.4 38.9 -66.0 -20.0 16.7 49.9 26.3 78 82 A K H X4>S+ 0 0 0 -3,-1.9 5,-2.2 2,-0.1 3,-1.5 0.894 116.6 45.3 -92.2 -55.4 15.7 48.7 22.8 79 83 A T H ><5S+ 0 0 2 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.859 105.3 62.0 -59.6 -37.5 12.1 47.8 23.2 80 84 A S T 3<5S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.3 368,-0.2 0.623 107.9 44.3 -66.6 -13.2 11.2 51.0 25.1 81 85 A Q T < 5S- 0 0 0 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.170 126.1 -97.5-114.6 16.4 12.2 53.1 22.1 82 86 A G T < 5S+ 0 0 0 -3,-1.8 -24,-2.6 1,-0.2 2,-0.4 0.541 70.4 149.6 84.7 10.7 10.5 50.9 19.5 83 87 A I E < +j 58 0C 0 -5,-2.2 -1,-0.2 -26,-0.2 -24,-0.2 -0.633 14.7 166.4 -83.0 128.7 13.3 48.7 18.3 84 88 A T E + 0 0 0 -26,-2.6 51,-2.9 -2,-0.4 2,-0.3 0.484 67.7 34.9-115.6 -11.4 12.4 45.2 17.1 85 89 A T E -jk 59 135C 0 -27,-1.5 -25,-2.8 49,-0.2 2,-0.4 -0.996 63.0-168.4-144.6 140.7 15.7 44.3 15.3 86 90 A V E -jk 60 136C 0 49,-2.2 51,-2.4 -2,-0.3 2,-0.7 -0.992 15.9-145.0-133.6 140.9 19.3 45.1 16.0 87 91 A V E - k 0 137C 0 -27,-2.8 -24,-2.7 -2,-0.4 51,-0.2 -0.925 30.2-175.4-102.9 114.7 22.4 44.6 13.9 88 92 A V E + k 0 138C 0 49,-2.7 51,-2.1 -2,-0.7 -24,-0.2 -0.478 48.6 66.4-103.9 177.2 25.3 43.7 16.3 89 93 A G + 0 0 0 49,-0.2 3,-0.4 -26,-0.2 92,-0.2 0.821 69.2 160.8 81.5 34.9 29.1 43.2 15.7 90 94 A N > + 0 0 1 -27,-0.9 3,-1.7 1,-0.2 -1,-0.2 -0.365 44.8 25.9 -89.6 165.7 29.9 46.8 14.7 91 95 A C T 3 S- 0 0 3 91,-0.3 -1,-0.2 1,-0.3 92,-0.1 0.739 129.9 -58.7 57.7 30.2 33.1 48.8 14.6 92 96 A G T 3 S+ 0 0 0 -3,-0.4 51,-1.4 90,-0.3 52,-1.2 0.319 115.2 102.5 87.5 -8.5 35.3 45.7 14.2 93 97 A V < + 0 0 0 -3,-1.7 2,-0.3 50,-0.2 -1,-0.2 -0.937 41.7 158.0-117.6 130.1 34.2 43.9 17.4 94 98 A S - 0 0 3 -2,-0.5 46,-0.1 3,-0.2 17,-0.1 -0.857 54.5 -99.4-140.1 172.8 31.8 41.1 17.6 95 99 A A S S+ 0 0 1 -2,-0.3 22,-2.4 1,-0.1 45,-0.1 0.792 92.8 78.2 -63.7 -29.6 30.6 38.1 19.7 96 100 A A + 0 0 3 20,-0.2 45,-0.6 1,-0.1 23,-0.1 -0.975 65.3 32.5-151.1 159.7 32.7 35.8 17.5 97 101 A P S S- 0 0 10 0, 0.0 21,-0.2 0, 0.0 22,-0.2 0.569 77.7-125.4 -78.7 163.2 35.2 34.5 16.6 98 102 A A - 0 0 35 20,-0.9 -2,-0.1 19,-0.5 -3,-0.1 -0.433 25.0-112.1 -73.9 144.2 37.1 34.3 19.8 99 103 A P - 0 0 36 0, 0.0 49,-0.3 0, 0.0 3,-0.1 -0.285 38.6 -91.3 -71.7 161.2 40.6 35.8 19.9 100 104 A L > - 0 0 65 47,-2.9 3,-2.5 50,-0.2 49,-0.1 -0.389 63.1 -77.5 -67.3 151.6 43.7 33.7 20.3 101 105 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.287 122.0 16.1 -54.1 128.4 44.7 33.2 24.0 102 106 A G T 3 S+ 0 0 81 1,-0.3 2,-0.5 -3,-0.1 -2,-0.1 0.249 96.5 118.8 92.6 -15.2 46.4 36.4 25.2 103 107 A N < + 0 0 27 -3,-2.5 -1,-0.3 44,-0.1 2,-0.3 -0.753 37.1 154.8 -88.2 127.9 45.2 38.5 22.3 104 108 A T - 0 0 104 -2,-0.5 2,-0.3 -3,-0.1 3,-0.1 -0.911 28.1-155.3-145.3 172.2 43.1 41.4 23.3 105 109 A A > - 0 0 9 -2,-0.3 3,-1.6 1,-0.1 4,-0.3 -0.977 24.9-131.4-153.1 138.1 41.9 44.9 22.3 106 110 A A G > S+ 0 0 69 -2,-0.3 3,-2.1 1,-0.3 4,-0.1 0.874 107.6 63.3 -56.4 -38.6 40.6 47.9 24.3 107 111 A A G > S+ 0 0 3 80,-0.4 3,-2.2 1,-0.3 -1,-0.3 0.691 82.9 77.1 -61.4 -20.1 37.7 48.2 21.9 108 112 A L G X> S+ 0 0 25 -3,-1.6 3,-2.0 1,-0.3 4,-1.0 0.735 78.3 74.9 -63.1 -19.0 36.5 44.8 23.0 109 113 A A G <4 S+ 0 0 32 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.674 77.4 74.5 -66.1 -16.2 35.2 46.6 26.1 110 114 A L G <4 S+ 0 0 8 -3,-2.2 -1,-0.3 1,-0.2 255,-0.2 0.630 101.5 43.7 -70.8 -10.5 32.5 47.9 23.9 111 115 A L T <4 S- 0 0 1 -3,-2.0 -44,-0.4 1,-0.3 2,-0.3 0.831 107.9-115.3-101.8 -45.1 31.0 44.4 24.1 112 116 A G < - 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0 0 0 -4,-2.7 -50,-0.2 -5,-0.3 -1,-0.1 -0.873 54.7-159.8-108.4 120.0 16.0 93.9 4.6 626 155 B R S S+ 0 0 214 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.785 102.3 35.3 -61.8 -24.8 18.8 92.2 2.7 627 156 B D S > S- 0 0 89 -6,-0.1 3,-1.9 1,-0.1 -1,-0.3 -0.804 72.7-176.3-129.0 88.8 21.1 93.6 5.4 628 157 B P T 3 S+ 0 0 13 0, 0.0 38,-0.2 0, 0.0 -6,-0.1 0.435 79.8 64.6 -65.6 2.2 19.1 93.7 8.7 629 158 B Q T 3 S+ 0 0 95 2,-0.1 2,-0.1 33,-0.1 -3,-0.0 0.424 92.3 77.9-103.7 -0.7 22.0 95.4 10.4 630 159 B A S < S- 0 0 35 -3,-1.9 36,-0.0 1,-0.1 -5,-0.0 -0.407 93.2 -90.4-100.6 176.8 21.7 98.6 8.3 631 160 B A - 0 0 67 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.1 -0.721 54.7-106.3 -84.2 137.3 19.3 101.6 8.4 632 161 B P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.361 24.7-126.7 -68.9 143.6 16.3 100.9 6.2 633 162 B T > - 0 0 81 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.346 37.4 -99.1 -74.7 169.8 16.0 102.6 2.9 634 163 B A H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.920 126.6 50.3 -58.9 -42.2 12.6 104.4 2.5 635 164 B A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 109.3 50.8 -64.4 -36.2 11.3 101.5 0.4 636 165 B E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 109.5 50.4 -69.3 -37.9 12.4 99.0 3.1 637 166 B Q H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.9 48.2 -63.2 -45.1 10.7 101.0 5.8 638 167 B Q H X S+ 0 0 93 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.901 109.5 53.5 -61.5 -41.4 7.5 101.0 3.7 639 168 B A H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.912 108.4 48.8 -61.1 -43.9 7.9 97.3 3.1 640 169 B M H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.895 111.4 50.6 -64.5 -38.1 8.0 96.6 6.8 641 170 B Q H X S+ 0 0 35 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.927 111.4 47.3 -65.1 -43.5 5.0 98.8 7.4 642 171 B D H X S+ 0 0 77 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.866 110.5 52.6 -67.0 -34.1 3.0 96.9 4.7 643 172 B M H X S+ 0 0 61 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.898 111.3 47.0 -66.3 -39.4 4.1 93.6 6.2 644 173 B L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.925 110.4 52.3 -66.5 -43.9 2.8 94.7 9.5 645 174 B Q H X S+ 0 0 58 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.912 109.4 49.9 -57.6 -43.3 -0.4 96.0 8.0 646 175 B A H X S+ 0 0 49 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.895 110.0 50.3 -62.6 -41.7 -0.9 92.6 6.4 647 176 B A H X>S+ 0 0 6 -4,-2.0 5,-2.4 1,-0.2 4,-0.6 0.921 112.2 47.2 -64.0 -42.8 -0.3 90.8 9.7 648 177 B L H ><5S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.891 109.8 52.2 -66.4 -39.3 -2.8 93.0 11.4 649 178 B E H 3<5S+ 0 0 134 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.0 55.7 -66.0 -27.1 -5.4 92.5 8.7 650 179 B A H 3<5S- 0 0 19 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.620 132.8 -90.3 -79.0 -14.8 -4.8 88.8 9.1 651 180 B G T <<5S+ 0 0 1 -3,-1.0 298,-2.5 -4,-0.6 -38,-0.3 0.463 71.2 151.5 121.2 0.6 -5.6 89.0 12.8 652 181 B A < - 0 0 2 -5,-2.4 -1,-0.3 296,-0.2 -38,-0.2 -0.394 44.7-136.9 -62.7 142.9 -2.4 89.7 14.7 653 182 B V - 0 0 6 -40,-2.1 32,-2.4 1,-0.2 2,-0.3 0.493 65.9 -61.5 -81.4 -2.9 -3.1 91.7 17.9 654 183 B G E -ij 614 685K 0 -41,-0.5 -39,-2.2 30,-0.3 2,-0.3 -0.976 62.3 -72.8 154.0-163.5 -0.1 94.0 17.2 655 184 B F E -ij 615 686K 0 30,-2.6 32,-2.3 -2,-0.3 2,-0.3 -0.915 32.8-145.7-127.9 156.6 3.7 93.9 16.9 656 185 B S E -ij 616 687K 0 -41,-2.1 -39,-2.7 -2,-0.3 2,-0.3 -0.897 5.4-150.8-122.1 152.4 6.5 93.4 19.4 657 186 B T E - j 0 688K 0 30,-1.9 32,-2.7 -2,-0.3 -90,-0.3 -0.886 10.5-165.0-120.2 152.5 10.0 94.8 19.6 658 187 B G E > + j 0 689K 5 -2,-0.3 3,-1.7 30,-0.2 7,-0.3 -0.696 18.7 169.0-132.4 74.4 13.1 93.3 21.1 659 188 B L T 3 S+ 0 0 1 30,-2.1 32,-0.2 1,-0.3 31,-0.2 0.611 73.5 60.9 -69.1 -10.4 15.3 96.4 21.3 660 189 B A T 3 S+ 0 0 38 29,-0.5 -1,-0.3 30,-0.3 2,-0.3 0.551 103.4 65.4 -89.0 -9.0 17.9 94.6 23.5 661 190 B Y S <> S- 0 0 18 -3,-1.7 4,-2.6 28,-0.2 5,-0.2 -0.749 90.3 -73.3-115.1 160.1 18.5 92.1 20.6 662 191 B Q T 4 S+ 0 0 99 1,-0.3 -80,-0.4 -2,-0.3 -33,-0.1 -0.674 107.4 15.9 -84.7 145.0 19.8 92.2 17.1 663 192 B P T >4 S+ 0 0 1 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.994 123.3 55.4 -93.0 -5.1 18.5 93.2 14.6 664 193 B G G >4 S+ 0 0 2 1,-0.3 3,-1.5 -6,-0.2 -2,-0.2 0.796 95.7 68.8 -55.7 -32.2 15.9 95.3 16.4 665 194 B A G 3< S+ 0 0 25 -4,-2.6 -1,-0.3 -7,-0.3 -3,-0.1 0.735 90.9 63.7 -60.1 -22.7 18.5 97.2 18.4 666 195 B V G < S+ 0 0 42 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.767 81.8 105.9 -73.1 -25.6 19.6 98.8 15.2 667 196 B A < - 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