==== 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 3GIQ . 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 . 950 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 661 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 90 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 10.1 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 . 58 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 227 23.9 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 . 2 2 8 4 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 PARALLEL BRIDGES PER LADDER . 6 2 4 6 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 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 0 190 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.5 -9.7 32.3 11.0 2 6 A K - 0 0 104 1,-0.1 41,-0.2 41,-0.0 2,-0.2 -0.394 360.0-122.0 -67.7 138.0 -9.4 34.3 14.3 3 7 A L E -a 43 0A 11 39,-2.2 41,-2.4 1,-0.1 42,-0.2 -0.520 4.3-143.4 -79.7 147.3 -6.5 36.8 14.4 4 8 A D E S+ 0 0 38 23,-2.2 41,-0.7 1,-0.3 2,-0.3 0.815 85.1 4.1 -78.3 -30.1 -3.9 36.5 17.1 5 9 A F E -aB 45 27A 11 22,-1.7 22,-3.3 39,-0.2 2,-0.3 -0.994 61.2-171.3-153.9 149.1 -3.7 40.3 17.4 6 10 A K E -aB 46 26A 28 39,-1.3 41,-2.6 -2,-0.3 2,-0.5 -0.989 8.7-160.2-146.4 138.2 -5.3 43.4 15.9 7 11 A I E -aB 47 25A 1 18,-2.7 18,-2.2 -2,-0.3 2,-0.2 -0.956 26.6-177.3-121.0 107.8 -4.4 47.1 16.2 8 12 A T E +a 48 0A 30 39,-2.2 41,-3.2 -2,-0.5 42,-0.3 -0.685 46.5 25.2-112.6 161.1 -7.4 49.3 15.4 9 13 A G S S+ 0 0 13 -2,-0.2 42,-0.7 1,-0.2 -1,-0.1 0.344 90.4 108.9 77.7 -4.7 -8.3 53.0 15.1 10 14 A G S S- 0 0 0 13,-0.3 13,-1.5 40,-0.2 2,-0.5 -0.306 70.9-102.4 -99.0-177.9 -4.8 54.2 14.3 11 15 A W E -Ef 22 53B 116 41,-2.6 43,-2.9 38,-0.3 2,-0.4 -0.912 32.8-137.1-106.9 126.9 -2.9 55.6 11.3 12 16 A I E -Ef 21 54B 1 9,-3.0 9,-1.8 -2,-0.5 2,-0.5 -0.693 20.3-178.3 -89.6 130.7 -0.6 53.4 9.4 13 17 A I - 0 0 2 41,-2.5 7,-0.1 -2,-0.4 -2,-0.0 -0.933 12.7-171.0-122.5 96.6 2.8 54.6 8.3 14 18 A D - 0 0 20 -2,-0.5 402,-1.7 41,-0.2 41,-0.1 0.359 41.0-107.2 -76.6 1.9 4.0 51.4 6.5 15 19 A G S S+ 0 0 1 3,-0.2 387,-0.3 400,-0.2 388,-0.2 0.317 95.9 102.9 91.2 -9.7 7.7 52.4 5.9 16 20 A T S S- 0 0 85 400,-0.1 379,-0.1 2,-0.1 399,-0.0 0.621 95.7-112.3 -81.0 -13.7 7.3 52.9 2.1 17 21 A G S S+ 0 0 35 1,-0.4 378,-0.1 377,-0.2 377,-0.1 0.329 72.2 140.2 97.1 -6.2 7.2 56.7 2.5 18 22 A A - 0 0 40 1,-0.1 -1,-0.4 376,-0.1 -3,-0.2 -0.358 65.4 -85.7 -68.7 149.7 3.6 56.8 1.4 19 23 A P - 0 0 104 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 -0.243 55.3 -92.0 -57.8 143.5 1.4 59.2 3.3 20 24 A R - 0 0 89 -3,-0.1 2,-0.3 -7,-0.1 -7,-0.2 -0.187 47.2-163.9 -54.9 146.2 -0.1 57.9 6.5 21 25 A R E -E 12 0B 102 -9,-1.8 -9,-3.0 -3,-0.1 2,-0.6 -0.998 25.2-109.1-140.3 142.5 -3.6 56.3 6.1 22 26 A R E +E 11 0B 110 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.565 63.6 125.6 -71.1 115.2 -6.4 55.3 8.5 23 27 A A - 0 0 6 -13,-1.5 -13,-0.3 -2,-0.6 2,-0.2 -0.979 52.7-116.8-166.3 156.7 -6.4 51.5 8.7 24 28 A D E - C 0 36A 0 12,-3.5 12,-2.1 -2,-0.3 2,-0.4 -0.618 23.4-140.5 -97.2 160.3 -6.3 48.5 11.1 25 29 A L E -BC 7 35A 0 -18,-2.2 -18,-2.7 -2,-0.2 2,-0.4 -0.983 11.4-161.4-125.8 132.0 -3.6 45.9 11.2 26 30 A G E -BC 6 34A 0 8,-3.0 7,-1.8 -2,-0.4 8,-1.2 -0.906 3.2-159.5-114.4 142.0 -4.2 42.2 11.9 27 31 A V E +BC 5 32A 0 -22,-3.3 -23,-2.2 -2,-0.4 -22,-1.7 -0.943 13.0 170.4-122.7 140.2 -1.6 39.6 13.0 28 32 A R E > - C 0 31A 62 3,-2.8 3,-1.8 -2,-0.4 -25,-0.1 -0.956 69.3 -8.6-150.4 127.8 -1.6 35.9 12.7 29 33 A D T 3 S- 0 0 124 -2,-0.3 3,-0.1 1,-0.3 426,-0.1 0.887 128.2 -53.2 53.3 44.6 1.1 33.3 13.3 30 34 A G T 3 S+ 0 0 13 1,-0.2 392,-3.0 425,-0.1 2,-0.3 0.362 120.7 93.0 77.4 -5.4 3.7 36.1 13.7 31 35 A R E < S-CD 28 421A 89 -3,-1.8 -3,-2.8 390,-0.3 2,-0.8 -0.785 87.2 -94.6-120.7 164.2 3.0 37.8 10.4 32 36 A I E -C 27 0A 2 388,-2.8 387,-3.0 385,-0.3 -5,-0.3 -0.666 38.9-178.2 -76.7 110.9 0.8 40.6 9.2 33 37 A A E - 0 0 42 -7,-1.8 2,-0.3 -2,-0.8 -6,-0.2 0.820 59.8 -15.3 -81.2 -34.6 -2.3 38.8 8.0 34 38 A A E -C 26 0A 39 -8,-1.2 -8,-3.0 383,-0.1 2,-0.4 -0.988 47.7-147.1-167.2 159.4 -4.2 41.8 6.7 35 39 A I E +C 25 0A 38 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.993 61.8 54.3-136.2 124.8 -4.5 45.6 6.7 36 40 A G E S-C 24 0A 26 -12,-2.1 -12,-3.5 -2,-0.4 2,-0.8 -0.958 96.7 -0.2 157.8-135.8 -7.8 47.5 6.5 37 41 A E + 0 0 133 -2,-0.3 3,-0.1 -14,-0.2 -2,-0.1 -0.804 58.9 150.2 -93.0 111.6 -11.1 47.4 8.4 38 42 A L > + 0 0 8 -2,-0.8 3,-1.3 1,-0.1 -1,-0.1 0.107 29.3 118.1-126.5 20.2 -10.8 44.9 11.3 39 43 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.1 -15,-0.0 -31,-0.1 0.877 86.9 35.0 -55.5 -41.1 -13.2 46.4 13.8 40 44 A A T 3 S+ 0 0 95 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.301 92.9 112.7 -97.8 8.3 -15.5 43.5 13.8 41 45 A H S < S- 0 0 84 -3,-1.3 -3,-0.1 1,-0.1 2,-0.1 -0.697 71.7-118.0 -85.7 128.7 -12.9 40.8 13.3 42 46 A P + 0 0 84 0, 0.0 -39,-2.2 0, 0.0 2,-0.3 -0.372 39.8 174.5 -63.9 140.1 -12.3 38.4 16.2 43 47 A A E -a 3 0A 21 -41,-0.2 -39,-0.2 1,-0.1 3,-0.1 -0.996 39.9-136.7-149.7 144.6 -8.9 38.5 17.7 44 48 A R E S+ 0 0 136 -41,-2.4 2,-0.4 -2,-0.3 -39,-0.2 0.874 98.7 21.3 -66.8 -37.3 -7.2 37.0 20.7 45 49 A H E S-a 5 0A 111 -41,-0.7 -39,-1.3 -42,-0.2 2,-0.4 -0.986 71.4-170.6-133.9 142.6 -5.5 40.3 21.6 46 50 A A E -a 6 0A 62 -2,-0.4 2,-0.4 -41,-0.2 -39,-0.2 -0.998 6.5-164.7-139.5 137.2 -6.5 43.8 20.6 47 51 A W E -a 7 0A 50 -41,-2.6 -39,-2.2 -2,-0.4 2,-0.9 -0.962 18.6-137.6-119.1 134.8 -4.9 47.2 20.9 48 52 A D E +a 8 0A 117 -2,-0.4 -39,-0.2 -41,-0.2 -41,-0.1 -0.819 23.3 176.3 -93.5 106.1 -6.7 50.6 20.5 49 53 A A > + 0 0 1 -41,-3.2 3,-2.4 -2,-0.9 -38,-0.3 0.090 20.8 151.5 -96.7 22.0 -4.3 52.8 18.4 50 54 A S T 3 S+ 0 0 57 -42,-0.3 -40,-0.2 1,-0.3 3,-0.1 -0.309 74.5 11.0 -54.9 130.7 -6.8 55.7 18.2 51 55 A G T 3 S+ 0 0 25 -42,-0.7 -1,-0.3 1,-0.3 2,-0.3 0.598 115.4 99.2 75.6 10.8 -4.8 58.9 17.9 52 56 A K S < S- 0 0 55 -3,-2.4 -41,-2.6 376,-0.2 2,-0.4 -0.786 71.9-114.7-126.3 170.6 -1.5 57.0 17.3 53 57 A I E -fG 11 427B 3 374,-3.3 374,-2.2 -2,-0.3 2,-0.6 -0.854 18.5-153.6-104.5 137.9 0.7 55.9 14.5 54 58 A V E +fG 12 426B 1 -43,-2.9 -41,-2.5 -2,-0.4 372,-0.2 -0.965 31.5 158.0-112.8 117.0 1.2 52.2 13.7 55 59 A A E - G 0 425B 0 370,-2.8 370,-2.6 -2,-0.6 -41,-0.2 -0.829 46.9 -79.1-135.2 172.0 4.5 51.6 12.0 56 60 A P E - G 0 424B 2 0, 0.0 368,-0.3 0, 0.0 3,-0.1 -0.457 62.3 -93.5 -70.2 147.4 7.1 48.8 11.4 57 61 A G - 0 0 2 366,-1.8 26,-0.2 395,-0.2 2,-0.1 -0.287 51.4-100.4 -57.7 146.8 9.3 48.2 14.4 58 62 A F E -j 83 0C 0 24,-2.5 26,-2.6 -3,-0.1 27,-1.5 -0.445 27.0-140.6 -75.5 144.3 12.5 50.2 14.2 59 63 A I E -j 85 0C 2 341,-3.1 2,-1.1 24,-0.2 299,-0.3 -0.910 6.5-152.5-109.1 111.2 15.7 48.6 13.1 60 64 A D E -j 86 0C 0 25,-2.9 27,-2.8 -2,-0.7 3,-0.3 -0.712 12.5-175.6 -84.0 100.0 18.8 49.7 15.0 61 65 A V S S+ 0 0 0 297,-1.3 2,-0.3 -2,-1.1 298,-0.2 0.551 72.7 53.4 -76.2 -7.8 21.6 49.3 12.4 62 66 A H S S+ 0 0 0 296,-0.3 299,-2.0 215,-0.1 300,-0.3 -0.581 72.3 148.8-129.6 74.7 24.4 50.2 14.9 63 67 A G - 0 0 0 24,-2.6 27,-0.9 -3,-0.3 26,-0.2 -0.704 33.8-171.2-105.5 157.2 24.2 48.1 18.0 64 68 A H + 0 0 3 298,-0.5 3,-0.4 -2,-0.3 24,-0.1 -0.126 56.9 114.5-130.5 30.8 26.9 46.8 20.3 65 69 A D >> + 0 0 0 1,-0.2 3,-1.5 2,-0.1 4,-0.7 0.154 29.9 130.3 -89.9 17.9 24.5 44.6 22.3 66 70 A D T 34 S+ 0 0 2 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.805 80.8 29.0 -38.5 -48.9 26.3 41.4 21.1 67 71 A L T >> S+ 0 0 1 44,-0.5 4,-2.4 -3,-0.4 3,-1.1 0.453 98.6 86.9 -97.8 -3.5 26.6 39.9 24.6 68 72 A M H <> S+ 0 0 0 -3,-1.5 4,-2.0 1,-0.2 7,-0.2 0.732 71.4 74.5 -70.3 -22.8 23.5 41.4 26.2 69 73 A F H 3< S+ 0 0 6 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.758 115.8 23.3 -63.1 -20.1 21.2 38.7 25.0 70 74 A V H <4 S+ 0 0 66 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.722 128.0 47.1-111.1 -36.6 22.8 36.6 27.7 71 75 A E H < S+ 0 0 57 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.909 135.8 3.5 -73.1 -45.3 24.1 39.3 30.1 72 76 A K S >< S+ 0 0 68 -4,-2.0 3,-1.4 -5,-0.1 -1,-0.2 -0.591 71.6 179.4-143.7 74.3 21.0 41.5 30.3 73 77 A P T 3 + 0 0 37 0, 0.0 60,-0.4 0, 0.0 -4,-0.1 0.556 66.0 80.1 -55.1 -16.0 18.2 39.7 28.3 74 78 A D T 3 - 0 0 75 1,-0.1 5,-0.2 -6,-0.1 -5,-0.1 0.855 67.5-169.0 -64.0 -33.7 15.5 42.3 28.9 75 79 A L X> + 0 0 1 -3,-1.4 3,-1.9 -7,-0.2 4,-1.7 0.801 25.8 155.9 47.4 33.2 16.9 44.7 26.3 76 80 A R H 3> + 0 0 75 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.770 61.5 67.3 -60.7 -26.3 14.5 47.3 27.7 77 81 A W H 34 S+ 0 0 10 2,-0.2 -1,-0.3 1,-0.2 6,-0.1 0.740 108.4 40.3 -67.0 -19.5 16.7 50.1 26.3 78 82 A K H X4>S+ 0 0 0 -3,-1.9 5,-2.2 2,-0.1 3,-1.7 0.914 116.4 43.8 -90.5 -57.9 15.7 48.9 22.8 79 83 A T H ><5S+ 0 0 2 -4,-1.7 3,-1.9 1,-0.3 -2,-0.2 0.843 105.3 63.5 -58.5 -37.5 12.0 48.0 23.2 80 84 A S T 3<5S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 365,-0.2 0.606 108.0 43.3 -65.6 -12.3 11.2 51.2 25.2 81 85 A Q T < 5S- 0 0 0 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.161 125.8 -97.4-117.4 16.9 12.2 53.3 22.1 82 86 A G T < 5S+ 0 0 0 -3,-1.9 -24,-2.5 1,-0.2 2,-0.4 0.521 70.7 149.3 85.0 7.9 10.4 51.1 19.6 83 87 A I E < +j 58 0C 0 -5,-2.2 -1,-0.2 -26,-0.2 -24,-0.2 -0.606 14.5 165.8 -81.0 129.8 13.3 49.0 18.3 84 88 A T E + 0 0 0 -26,-2.6 51,-2.7 -2,-0.4 2,-0.3 0.491 67.1 36.0-117.1 -11.8 12.4 45.4 17.2 85 89 A T E -jk 59 135C 0 -27,-1.5 -25,-2.9 49,-0.2 2,-0.4 -0.998 62.4-169.7-144.2 140.2 15.6 44.5 15.4 86 90 A V E -jk 60 136C 0 49,-2.2 51,-2.5 -2,-0.3 2,-0.7 -0.993 16.0-145.6-134.1 140.4 19.3 45.2 16.1 87 91 A V E - k 0 137C 0 -27,-2.8 -24,-2.6 -2,-0.4 51,-0.2 -0.923 29.5-175.0-103.0 114.4 22.4 44.7 14.0 88 92 A V E + k 0 138C 0 49,-2.8 51,-1.9 -2,-0.7 -24,-0.2 -0.442 49.3 65.9-102.7 178.6 25.3 43.8 16.3 89 93 A G + 0 0 0 49,-0.2 3,-0.4 -26,-0.2 92,-0.2 0.823 69.6 160.7 79.8 35.2 29.0 43.3 15.7 90 94 A N > + 0 0 1 -27,-0.9 3,-1.9 1,-0.2 -1,-0.2 -0.335 44.4 25.8 -89.0 167.2 29.9 46.8 14.7 91 95 A C T 3 S- 0 0 2 1,-0.3 -1,-0.2 91,-0.2 92,-0.1 0.760 129.9 -57.7 54.6 32.9 33.1 48.8 14.5 92 96 A G T 3 S+ 0 0 1 -3,-0.4 51,-1.4 90,-0.3 52,-1.1 0.343 115.6 102.8 85.4 -7.1 35.3 45.8 14.1 93 97 A V < + 0 0 5 -3,-1.9 2,-0.3 50,-0.2 -1,-0.2 -0.941 41.3 156.2-118.5 129.8 34.2 44.1 17.4 94 98 A S - 0 0 2 -2,-0.5 46,-0.1 3,-0.2 17,-0.1 -0.845 54.3-102.4-140.0 174.4 31.8 41.2 17.6 95 99 A A S S+ 0 0 1 -2,-0.3 22,-2.5 1,-0.1 45,-0.1 0.756 91.5 79.3 -69.6 -26.4 30.7 38.2 19.7 96 100 A A + 0 0 4 20,-0.2 45,-0.6 1,-0.1 -1,-0.1 -0.981 66.8 31.8-151.2 157.2 32.6 35.8 17.4 97 101 A P S S- 0 0 17 0, 0.0 21,-0.2 0, 0.0 22,-0.2 0.583 80.7-123.7 -78.2 162.9 35.0 34.5 16.4 98 102 A A - 0 0 37 20,-0.8 -2,-0.1 19,-0.5 -3,-0.1 -0.458 24.7-113.2 -74.3 140.0 36.9 34.4 19.7 99 103 A P - 0 0 27 0, 0.0 49,-0.3 0, 0.0 3,-0.1 -0.222 40.9 -89.7 -65.1 162.1 40.4 36.0 19.8 100 104 A L > - 0 0 62 47,-2.5 3,-2.6 50,-0.2 49,-0.1 -0.438 62.3 -80.1 -68.7 149.6 43.5 33.7 20.3 101 105 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.300 121.9 18.0 -54.2 127.2 44.3 33.3 24.0 102 106 A G T 3 S+ 0 0 80 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.165 96.6 116.7 96.8 -20.4 46.2 36.4 25.1 103 107 A N < + 0 0 31 -3,-2.6 -1,-0.3 44,-0.1 2,-0.3 -0.718 39.9 160.2 -85.4 130.9 45.1 38.5 22.2 104 108 A T - 0 0 108 -2,-0.4 2,-0.3 -3,-0.1 3,-0.1 -0.901 27.7-158.1-144.3 171.2 42.9 41.5 23.2 105 109 A A >> - 0 0 8 -2,-0.3 3,-1.2 1,-0.1 4,-0.7 -0.957 24.9-131.5-154.5 133.7 41.7 44.9 22.1 106 110 A A G >4 S+ 0 0 63 -2,-0.3 3,-1.2 1,-0.3 4,-0.5 0.891 107.2 58.9 -52.7 -44.1 40.4 47.8 24.3 107 111 A A G >4 S+ 0 0 7 80,-0.3 3,-0.9 1,-0.3 4,-0.3 0.758 94.3 65.6 -59.4 -27.4 37.3 48.2 22.1 108 112 A L G X> S+ 0 0 19 -3,-1.2 3,-1.9 1,-0.2 4,-0.5 0.838 87.5 68.4 -65.7 -31.6 36.2 44.6 22.8 109 113 A A G X< S+ 0 0 46 -3,-1.2 3,-1.0 -4,-0.7 -1,-0.2 0.795 85.9 70.7 -57.8 -28.7 35.7 45.5 26.5 110 114 A L G <4 S+ 0 0 4 -3,-0.9 255,-0.5 -4,-0.5 -1,-0.3 0.723 90.2 60.5 -62.4 -21.8 32.7 47.6 25.4 111 115 A L G <4 S- 0 0 0 -3,-1.9 -44,-0.5 1,-0.3 -1,-0.2 0.782 116.0-102.8 -77.1 -27.0 30.7 44.5 24.5 112 116 A G << - 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0 0 0 -4,-2.8 -50,-0.2 -5,-0.3 -1,-0.1 -0.866 54.4-160.6-108.5 119.6 16.0 94.4 4.6 626 155 B R S S+ 0 0 215 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.0 0.803 102.8 35.9 -61.1 -25.9 18.8 92.7 2.7 627 156 B D S > S- 0 0 88 -6,-0.1 3,-1.9 1,-0.1 -1,-0.3 -0.818 72.6-175.8-128.9 90.6 21.0 94.2 5.4 628 157 B P T 3 S+ 0 0 11 0, 0.0 38,-0.2 0, 0.0 -6,-0.1 0.508 80.5 64.0 -62.8 -6.9 19.0 94.1 8.8 629 158 B Q T 3 S+ 0 0 86 2,-0.1 2,-0.1 33,-0.1 -3,-0.0 0.410 91.9 77.2 -99.7 1.4 21.9 96.0 10.4 630 159 B A S < S- 0 0 36 -3,-1.9 36,-0.0 1,-0.1 -5,-0.0 -0.425 93.0 -88.5-102.8 178.8 21.6 99.2 8.4 631 160 B A - 0 0 68 -2,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.719 55.5-106.7 -84.1 137.7 19.2 102.2 8.4 632 161 B P - 0 0 34 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.374 24.7-126.9 -69.6 143.1 16.2 101.4 6.2 633 162 B T > - 0 0 80 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.379 37.5 -98.8 -75.1 168.2 15.9 103.1 2.9 634 163 B A H > S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.917 126.4 50.7 -56.2 -44.3 12.5 104.9 2.4 635 164 B A H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 109.3 50.2 -62.4 -38.3 11.2 101.9 0.4 636 165 B E H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.878 109.1 51.2 -68.7 -37.9 12.3 99.4 3.1 637 166 B Q H X S+ 0 0 28 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.938 112.0 47.9 -62.7 -44.4 10.6 101.5 5.8 638 167 B Q H X S+ 0 0 92 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.892 109.5 53.4 -62.7 -40.5 7.4 101.4 3.6 639 168 B A H X S+ 0 0 31 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 108.5 48.6 -61.8 -44.2 7.8 97.7 3.1 640 169 B M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.885 111.7 50.5 -64.5 -37.1 8.0 97.0 6.8 641 170 B Q H X S+ 0 0 39 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.904 111.3 47.8 -66.6 -41.1 4.9 99.2 7.4 642 171 B D H X S+ 0 0 76 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.865 110.7 51.6 -67.7 -35.9 3.0 97.3 4.6 643 172 B M H X S+ 0 0 60 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.890 111.1 48.1 -66.5 -39.7 4.1 93.9 6.1 644 173 B L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.936 110.6 50.9 -65.0 -46.1 2.8 95.1 9.5 645 174 B Q H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 110.4 50.1 -57.6 -41.0 -0.5 96.3 8.0 646 175 B A H X S+ 0 0 50 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.915 110.1 50.0 -64.1 -42.8 -0.8 92.9 6.3 647 176 B A H X>S+ 0 0 5 -4,-2.3 5,-2.4 2,-0.2 4,-0.6 0.920 112.3 47.1 -62.1 -44.5 -0.2 91.1 9.6 648 177 B L H ><5S+ 0 0 1 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.904 110.0 52.0 -65.1 -41.6 -2.8 93.2 11.4 649 178 B E H 3<5S+ 0 0 131 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 106.6 56.0 -64.5 -27.7 -5.3 92.7 8.6 650 179 B A H 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.635 132.9 -90.0 -78.0 -15.2 -4.7 89.0 9.0 651 180 B G T <<5S+ 0 0 0 -3,-1.1 298,-2.7 -4,-0.6 -38,-0.3 0.471 71.6 151.5 122.0 1.7 -5.6 89.2 12.7 652 181 B A < - 0 0 2 -5,-2.4 -1,-0.3 296,-0.2 -38,-0.2 -0.399 44.0-137.8 -64.2 142.5 -2.3 90.0 14.6 653 182 B V - 0 0 6 -40,-2.1 32,-2.4 1,-0.1 2,-0.3 0.499 66.2 -60.9 -81.2 -3.6 -3.0 92.0 17.8 654 183 B G E -hi 614 685J 0 -41,-0.5 -39,-2.2 30,-0.2 2,-0.3 -0.981 61.3 -73.9 155.7-162.7 -0.1 94.3 17.2 655 184 B F E -hi 615 686J 0 30,-2.6 32,-2.2 -2,-0.3 2,-0.3 -0.932 32.7-146.0-130.1 154.9 3.7 94.2 16.8 656 185 B S E -hi 616 687J 0 -41,-2.1 -39,-2.6 -2,-0.3 2,-0.3 -0.883 6.1-150.0-121.0 154.0 6.5 93.8 19.3 657 186 B T E - i 0 688J 0 30,-1.9 32,-2.6 -2,-0.3 2,-0.3 -0.912 11.2-163.2-123.0 150.1 10.0 95.3 19.6 658 187 B G E > + i 0 689J 5 -2,-0.3 3,-1.5 -91,-0.2 7,-0.4 -0.718 20.7 167.8-128.2 76.6 13.2 93.9 21.0 659 188 B L T 3 S+ 0 0 1 30,-2.2 32,-0.2 -2,-0.3 31,-0.2 0.633 73.2 57.9 -69.9 -14.4 15.2 97.1 21.3 660 189 B A T 3 S+ 0 0 41 29,-0.4 2,-0.3 30,-0.3 -1,-0.3 0.466 105.5 63.6 -92.2 -2.3 17.9 95.5 23.5 661 190 B Y S <> S- 0 0 19 -3,-1.5 4,-2.8 28,-0.2 5,-0.2 -0.788 91.4 -72.2-119.4 161.7 18.6 92.9 20.7 662 191 B Q T 4 S+ 0 0 101 1,-0.3 -80,-0.4 -2,-0.3 -33,-0.1 -0.700 109.1 18.6 -87.6 146.6 19.8 93.0 17.2 663 192 B P T >4 S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.994 124.1 54.8 -89.8 -3.8 18.5 93.9 14.7 664 193 B G G >4 S+ 0 0 3 -6,-0.3 3,-1.5 1,-0.3 -2,-0.2 0.815 95.7 67.3 -56.8 -35.5 15.9 96.0 16.6 665 194 B A G 3< S+ 0 0 27 -4,-2.8 -1,-0.3 -7,-0.4 -3,-0.1 0.738 93.0 62.9 -58.8 -23.6 18.5 98.0 18.5 666 195 B V G < S+ 0 0 46 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.769 81.5 104.7 -72.9 -27.1 19.5 99.6 15.2 667 196 B A < - 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