==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-NOV-12 3ZCZ . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP. R39; . AUTHOR E.SAUVAGE,R.HERMAN,F.KERFF,M.ROCABOY,P.CHARLIER . 1862 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1305 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 145 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 214 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 426 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.5 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 3 0 1 0 0 3 6 6 6 7 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 8 8 8 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 . 20 4 8 6 2 8 4 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 12 4 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 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 1 A R > 0 0 149 0, 0.0 4,-1.3 0, 0.0 458,-0.0 0.000 360.0 360.0 360.0 -14.7 -14.4 -34.6 42.0 2 2 A L H > + 0 0 36 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.769 360.0 52.1 -74.6 -27.5 -12.2 -33.4 39.1 3 3 A T H > S+ 0 0 89 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.875 103.6 57.6 -74.9 -39.4 -15.2 -33.3 36.7 4 4 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.904 107.3 49.4 -52.8 -45.0 -17.2 -31.2 39.1 5 5 A L H X S+ 0 0 1 -4,-1.3 4,-2.2 2,-0.2 5,-0.2 0.910 108.9 50.7 -62.1 -46.6 -14.4 -28.6 39.0 6 6 A R H X S+ 0 0 105 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.889 111.5 48.9 -60.8 -40.8 -14.3 -28.5 35.2 7 7 A E H X S+ 0 0 113 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.873 110.2 52.1 -63.1 -40.2 -18.1 -28.0 35.1 8 8 A D H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 111.5 43.6 -67.6 -43.1 -17.9 -25.2 37.7 9 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.857 110.6 56.8 -71.7 -36.1 -15.2 -23.2 35.9 10 10 A D H < S+ 0 0 48 -4,-1.9 4,-0.3 -5,-0.2 -2,-0.2 0.902 110.3 45.0 -55.9 -44.5 -17.0 -23.8 32.5 11 11 A A H >< S+ 0 0 61 -4,-1.8 3,-0.9 1,-0.2 -2,-0.2 0.858 110.9 52.4 -70.1 -38.9 -20.2 -22.2 34.0 12 12 A I H >< S+ 0 0 34 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.834 104.9 57.6 -64.8 -33.6 -18.2 -19.3 35.6 13 13 A L T 3< S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.562 92.5 67.8 -77.8 -9.1 -16.7 -18.6 32.2 14 14 A E T < S+ 0 0 150 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.290 71.1 137.1 -89.8 9.2 -20.1 -18.1 30.6 15 15 A D X - 0 0 64 -3,-1.2 3,-2.1 1,-0.1 -3,-0.0 -0.311 63.2-128.8 -55.1 133.7 -20.6 -14.9 32.7 16 16 A P G > S+ 0 0 95 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.652 104.6 73.8 -63.0 -15.2 -22.1 -12.1 30.6 17 17 A A G 3 S+ 0 0 47 1,-0.3 425,-0.4 423,-0.1 424,-0.3 0.644 89.7 60.3 -70.2 -15.9 -19.3 -9.8 31.8 18 18 A L G X S+ 0 0 18 -3,-2.1 3,-1.5 422,-0.1 2,-0.3 -0.012 73.8 145.4-100.7 27.2 -17.0 -11.8 29.5 19 19 A E T < S+ 0 0 141 -3,-1.1 422,-0.3 1,-0.3 3,-0.1 -0.500 76.7 1.2 -67.2 126.8 -18.9 -10.9 26.3 20 20 A G T 3 S+ 0 0 76 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.669 106.2 128.2 67.8 20.1 -16.6 -10.5 23.3 21 21 A A < - 0 0 25 -3,-1.5 2,-0.5 418,-0.1 418,-0.2 -0.856 54.5-142.8-111.2 139.9 -13.6 -11.3 25.4 22 22 A V E -A 438 0A 65 416,-2.4 416,-2.4 -2,-0.4 2,-0.4 -0.883 25.6-170.1 -94.3 131.8 -10.8 -13.9 24.9 23 23 A S E -A 437 0A 11 -2,-0.5 2,-0.6 414,-0.2 414,-0.2 -0.973 15.5-157.0-132.1 119.6 -9.8 -15.5 28.2 24 24 A G E +A 436 0A 0 412,-2.2 412,-2.5 -2,-0.4 2,-0.4 -0.842 18.3 177.0 -92.5 119.6 -6.9 -17.8 28.9 25 25 A V E +AB 435 39A 0 14,-2.5 14,-1.7 -2,-0.6 2,-0.4 -0.967 3.4 168.3-129.0 116.8 -7.4 -20.0 32.0 26 26 A V E -AB 434 38A 0 408,-2.2 408,-2.3 -2,-0.4 2,-0.4 -0.993 8.6-177.8-130.2 130.9 -4.9 -22.6 33.1 27 27 A V E +AB 433 37A 0 10,-2.7 10,-1.7 -2,-0.4 9,-1.2 -0.997 8.4 178.6-129.5 130.4 -4.7 -24.5 36.4 28 28 A V E -AB 432 35A 27 404,-2.9 404,-2.8 -2,-0.4 2,-0.7 -0.973 30.3-130.2-132.3 140.3 -1.9 -27.0 37.2 29 29 A D E > -A 431 0A 26 5,-2.8 4,-3.2 -2,-0.4 5,-0.3 -0.842 19.2-164.0 -84.8 115.7 -1.1 -29.2 40.2 30 30 A T T 4 S+ 0 0 50 400,-2.1 -1,-0.1 -2,-0.7 401,-0.1 0.692 84.9 60.2 -78.5 -19.2 2.6 -28.4 40.9 31 31 A A T 4 S+ 0 0 71 399,-0.6 -1,-0.2 1,-0.1 400,-0.1 0.866 126.6 13.9 -71.3 -36.5 3.0 -31.5 43.1 32 32 A T T 4 S- 0 0 96 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.733 94.7-122.3-108.9 -33.4 2.1 -33.9 40.3 33 33 A G < + 0 0 55 -4,-3.2 2,-0.2 1,-0.3 -3,-0.2 0.431 56.5 157.1 93.5 3.9 2.2 -31.7 37.1 34 34 A E - 0 0 92 -5,-0.3 -5,-2.8 1,-0.1 2,-1.1 -0.440 43.6-134.6 -68.2 129.1 -1.4 -32.6 36.4 35 35 A E E +B 28 0A 107 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.737 27.6 176.2 -84.3 97.8 -3.2 -30.2 34.1 36 36 A L E + 0 0 0 -9,-1.2 2,-0.3 -2,-1.1 -1,-0.2 0.861 67.3 6.9 -74.1 -37.6 -6.5 -29.7 36.0 37 37 A Y E +B 27 0A 10 -10,-1.7 -10,-2.7 -28,-0.0 2,-0.3 -0.992 61.2 174.7-149.1 140.1 -8.0 -27.1 33.7 38 38 A S E +B 26 0A 49 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.943 7.0 160.9-149.6 124.4 -6.9 -25.5 30.3 39 39 A R E S-B 25 0A 101 -14,-1.7 -14,-2.5 -2,-0.3 318,-0.1 -0.923 80.0 -22.5-147.0 116.6 -8.8 -23.1 28.1 40 40 A D S > S+ 0 0 85 -2,-0.3 3,-1.3 -16,-0.2 317,-0.4 0.792 82.5 155.2 51.0 35.1 -7.0 -21.0 25.4 41 41 A G T 3 + 0 0 3 1,-0.3 317,-2.3 -16,-0.2 318,-0.4 0.665 68.6 47.4 -65.9 -20.3 -3.8 -21.5 27.4 42 42 A G T 3 S+ 0 0 58 315,-0.2 -1,-0.3 314,-0.1 2,-0.2 0.447 86.2 114.0 -98.9 -3.7 -1.6 -21.0 24.3 43 43 A E S < S- 0 0 102 -3,-1.3 2,-0.5 1,-0.1 314,-0.4 -0.476 70.0-122.0 -71.9 136.1 -3.4 -17.9 23.2 44 44 A Q + 0 0 87 -2,-0.2 2,-0.3 312,-0.1 312,-0.2 -0.690 42.4 163.6 -86.6 126.2 -1.4 -14.7 23.3 45 45 A L B -F 355 0B 9 310,-3.3 310,-3.1 -2,-0.5 372,-0.1 -0.922 44.6 -96.0-139.2 158.1 -2.9 -12.0 25.5 46 46 A L - 0 0 30 -2,-0.3 372,-0.2 308,-0.2 308,-0.1 -0.656 30.7-161.4 -74.7 131.4 -1.9 -8.7 27.2 47 47 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.596 10.0-161.9 -88.4 -12.0 -1.0 -9.5 30.8 48 48 A A G > S- 0 0 1 300,-0.3 3,-1.6 1,-0.2 4,-0.1 -0.404 77.9 -8.8 49.5-134.0 -1.3 -6.0 32.3 49 49 A S G > S+ 0 0 20 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.431 117.7 87.7 -71.7 2.1 0.7 -6.1 35.6 50 50 A N G X> S+ 0 0 0 -3,-1.7 3,-1.1 1,-0.2 4,-0.6 0.662 72.7 77.1 -68.6 -14.7 1.1 -9.9 35.4 51 51 A M H <> S+ 0 0 0 -3,-1.6 4,-1.8 1,-0.2 3,-0.5 0.762 79.5 70.1 -59.6 -28.2 4.2 -8.9 33.5 52 52 A K H <> S+ 0 0 0 -3,-1.2 4,-3.3 295,-0.4 5,-0.2 0.754 85.6 66.1 -64.6 -27.0 5.8 -8.1 36.8 53 53 A L H <> S+ 0 0 0 -3,-1.1 4,-2.0 -4,-0.2 -1,-0.2 0.939 106.0 42.3 -56.5 -46.7 5.9 -11.8 37.7 54 54 A F H X S+ 0 0 0 -4,-0.6 4,-2.0 -3,-0.5 -2,-0.2 0.912 116.2 48.3 -67.6 -44.2 8.4 -12.3 34.9 55 55 A T H X S+ 0 0 1 -4,-1.8 4,-2.2 291,-0.4 -2,-0.2 0.912 111.6 49.3 -60.0 -48.5 10.3 -9.1 35.8 56 56 A A H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.922 111.9 47.4 -61.9 -47.5 10.5 -10.1 39.5 57 57 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.889 112.7 49.7 -61.2 -42.6 11.8 -13.6 38.9 58 58 A A H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.3 0.868 108.6 53.0 -64.0 -39.0 14.4 -12.3 36.4 59 59 A A H X>S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-1.1 0.866 109.0 49.3 -65.6 -37.0 15.6 -9.7 39.0 60 60 A L H <5S+ 0 0 3 -4,-1.9 5,-0.2 3,-0.2 -1,-0.2 0.814 115.1 44.6 -72.8 -29.8 16.0 -12.4 41.6 61 61 A E H <5S+ 0 0 79 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.931 124.3 32.4 -74.1 -48.6 18.0 -14.6 39.1 62 62 A V H <5S+ 0 0 32 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.928 134.6 23.7 -75.5 -49.0 20.2 -11.7 37.8 63 63 A L T <5S- 0 0 17 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.791 99.7-138.1 -92.8 -32.2 20.5 -9.5 40.9 64 64 A G > < - 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0 0 24 -2,-0.3 2,-0.1 1,-0.1 6,-0.1 -0.146 52.4 -99.6 -59.2 159.7 37.8 16.7 49.9 79 79 A P - 0 0 14 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.446 40.0-149.4 -79.7 162.9 37.1 20.1 51.6 80 80 A G - 0 0 22 4,-0.3 3,-0.2 701,-0.3 701,-0.2 0.034 44.6 -53.1-110.2-146.9 39.9 21.8 53.5 81 81 A R S S+ 0 0 211 699,-1.4 700,-0.1 1,-0.2 699,-0.1 0.889 140.2 43.7 -62.4 -40.7 40.4 24.2 56.4 82 82 A R S S- 0 0 174 698,-0.3 -1,-0.2 2,-0.1 34,-0.1 0.550 108.7-132.1 -81.3 -9.6 37.9 26.6 54.8 83 83 A G + 0 0 1 -3,-0.2 33,-2.8 1,-0.2 34,-1.8 0.900 51.0 151.4 60.5 46.1 35.6 23.6 54.0 84 84 A E E +k 117 0D 76 697,-0.2 -4,-0.3 31,-0.2 2,-0.3 -0.903 23.4 179.7-113.1 136.4 35.0 24.6 50.4 85 85 A V E -k 118 0D 5 32,-2.1 34,-3.1 -2,-0.4 35,-0.4 -0.881 18.9-144.4-121.0 160.8 34.2 22.4 47.4 86 86 A Q S S+ 0 0 70 1,-0.4 34,-2.4 -2,-0.3 2,-0.3 0.799 75.2 4.0 -86.4 -98.4 33.6 23.4 43.8 87 87 A D - 0 0 40 33,-0.2 -11,-0.5 32,-0.2 -1,-0.4 -0.672 68.7-154.8 -89.1 146.9 31.0 21.3 42.1 88 88 A L E -Hi 75 122C 0 33,-1.8 35,-3.3 -2,-0.3 2,-0.5 -0.939 3.1-151.6-122.3 145.3 29.1 18.6 43.9 89 89 A Y E -Hi 74 123C 14 -15,-2.7 -15,-2.6 -2,-0.4 2,-0.7 -0.966 10.6-159.8-124.3 123.8 27.4 15.4 42.4 90 90 A L E -Hi 73 124C 0 33,-2.9 35,-3.7 -2,-0.5 2,-0.6 -0.915 23.9-165.4 -91.9 113.7 24.5 13.4 43.6 91 91 A V E -Hi 72 125C 7 -19,-3.2 -19,-2.3 -2,-0.7 2,-0.4 -0.915 3.5-164.1-109.3 118.5 25.0 10.1 41.8 92 92 A G E -H 71 0C 1 33,-2.7 36,-0.5 -2,-0.6 -21,-0.2 -0.845 12.5-172.0-104.9 137.4 22.1 7.6 41.7 93 93 A R - 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0 0 20 -4,-0.5 2,-0.6 1,-0.2 -3,-0.2 0.982 31.1-158.3 61.7 65.6 2.2 -3.3 41.7 299 299 A N >< - 0 0 14 -5,-2.2 4,-1.5 -6,-0.2 -1,-0.2 -0.656 10.1-165.7 -83.2 113.7 4.7 -0.4 41.3 300 300 A N H > S+ 0 0 13 -2,-0.6 4,-1.9 1,-0.2 3,-0.3 0.947 86.8 51.6 -64.2 -52.9 5.4 0.3 37.6 301 301 A G H > S+ 0 0 5 -155,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.859 106.9 54.8 -51.0 -42.9 8.5 2.5 38.2 302 302 A H H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 107.4 51.0 -57.5 -43.8 10.1 -0.2 40.4 303 303 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.3 -2,-0.2 0.895 111.6 44.9 -64.2 -43.2 9.6 -2.7 37.5 304 304 A E H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.828 112.8 51.5 -71.6 -33.8 11.2 -0.6 34.9 305 305 A M H X S+ 0 0 3 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.881 109.4 51.1 -68.2 -40.4 14.1 0.3 37.2 306 306 A L H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 107.9 52.5 -59.6 -44.7 14.7 -3.4 37.9 307 307 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 12,-0.2 0.938 112.1 44.7 -57.4 -49.3 14.8 -4.1 34.2 308 308 A K H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 11,-0.3 0.807 110.0 55.3 -67.7 -30.1 17.4 -1.5 33.6 309 309 A S H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.826 106.9 50.8 -66.8 -33.0 19.3 -2.8 36.7 310 310 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.908 106.8 55.2 -65.4 -42.5 19.2 -6.2 35.0 311 311 A G H X S+ 0 0 0 -4,-2.1 6,-2.3 1,-0.2 4,-1.1 0.814 108.5 48.3 -58.6 -35.3 20.7 -4.4 31.9 312 312 A Q H X S+ 0 0 38 -4,-1.4 4,-1.6 4,-0.3 -1,-0.2 0.922 113.9 44.9 -70.9 -46.7 23.5 -3.1 34.0 313 313 A E H < S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.912 122.5 34.7 -65.5 -44.3 24.3 -6.5 35.6 314 314 A T H < S+ 0 0 76 -4,-2.8 -1,-0.2 -5,-0.1 -3,-0.2 0.719 143.4 2.8 -82.6 -21.2 24.2 -8.6 32.4 315 315 A A H < S- 0 0 65 -4,-1.1 -3,-0.2 -5,-0.3 -2,-0.2 0.446 88.7-113.3-145.9 -10.3 25.6 -5.9 30.0 316 316 A G S < S+ 0 0 49 -4,-1.6 2,-0.4 -5,-0.4 -4,-0.3 0.869 81.8 117.5 61.9 36.2 26.6 -2.7 31.8 317 317 A A - 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0 0 18 -4,-0.6 2,-0.8 1,-0.2 -3,-0.2 0.980 31.4-160.4 58.4 64.9 64.0 26.0 38.4 766 299 B N >< - 0 0 11 -5,-2.0 4,-1.5 -6,-0.2 -1,-0.2 -0.687 10.7-165.3 -83.7 108.5 64.0 23.3 41.1 767 300 B N H > S+ 0 0 15 -2,-0.8 4,-1.9 1,-0.2 3,-0.3 0.928 86.4 53.8 -58.3 -51.2 61.5 20.6 40.1 768 301 B G H > S+ 0 0 5 -155,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.829 105.7 54.1 -55.4 -37.9 61.4 18.9 43.6 769 302 B H H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.922 107.7 51.3 -58.4 -46.2 60.5 22.2 45.2 770 303 B A H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.903 111.0 45.4 -62.2 -43.8 57.6 22.7 42.9 771 304 B E H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.866 111.7 52.7 -72.0 -34.7 56.0 19.2 43.5 772 305 B M H X S+ 0 0 2 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.924 109.4 49.7 -63.7 -44.2 56.5 19.6 47.3 773 306 B L H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.894 108.1 53.7 -60.1 -42.5 54.7 22.9 47.1 774 307 B V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.922 111.4 44.8 -59.0 -44.7 51.8 21.4 45.1 775 308 B K H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 11,-0.3 0.848 110.4 55.1 -68.6 -33.5 51.4 18.6 47.7 776 309 B S H X S+ 0 0 8 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.867 106.7 50.6 -63.3 -39.5 51.6 21.3 50.5 777 310 B I H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.890 105.4 57.7 -62.6 -40.8 48.8 23.1 48.8 778 311 B G H X S+ 0 0 0 -4,-1.8 6,-2.2 1,-0.2 4,-0.9 0.831 107.2 48.5 -56.0 -35.4 46.9 19.8 48.8 779 312 B Q H X S+ 0 0 34 -4,-1.3 4,-2.1 4,-0.3 -2,-0.2 0.931 115.6 41.1 -73.1 -47.0 47.3 19.7 52.6 780 313 B E H < S+ 0 0 71 -4,-2.0 -699,-1.4 1,-0.2 -698,-0.3 0.949 122.0 39.8 -65.6 -49.7 46.1 23.3 53.2 781 314 B T H < S+ 0 0 41 -4,-3.0 -701,-0.3 -701,-0.2 -697,-0.2 0.616 141.9 3.0 -79.0 -13.7 43.2 23.3 50.7 782 315 B A H < S- 0 0 8 -4,-0.9 -3,-0.2 -5,-0.3 -2,-0.2 0.370 91.6-111.6-153.4 -1.0 42.0 19.7 51.4 783 316 B G S < S+ 0 0 50 -4,-2.1 2,-0.4 -6,-0.2 -4,-0.3 0.778 85.8 110.9 64.2 27.8 44.0 18.1 54.2 784 317 B A - 0 0 33 -6,-2.2 2,-2.4 -7,-0.1 -1,-0.1 -0.911 62.6-148.9-141.0 108.2 45.6 15.8 51.7 785 318 B G B +i 596 0O 3 -190,-0.6 -188,-3.0 -2,-0.4 2,-0.3 -0.444 58.5 120.2 -76.2 72.1 49.2 15.9 50.5 786 319 B T S > S- 0 0 32 -2,-2.4 4,-2.4 -11,-0.3 -8,-0.2 -0.912 71.7-125.5-134.7 157.4 48.5 14.6 47.0 787 320 B W H > S+ 0 0 8 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.908 112.6 54.0 -65.3 -45.2 49.0 15.7 43.4 788 321 B D H > S+ 0 0 58 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.929 117.7 35.7 -56.1 -47.9 45.3 15.1 42.7 789 322 B A H > S+ 0 0 6 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 117.5 54.4 -72.7 -37.4 44.3 17.4 45.7 790 323 B G H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.855 106.6 48.3 -66.0 -38.8 47.2 19.8 45.1 791 324 B L H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.800 110.1 52.2 -76.9 -29.2 46.5 20.6 41.5 792 325 B V H X S+ 0 0 15 -4,-1.0 4,-2.1 -5,-0.3 -2,-0.2 0.899 110.8 49.3 -66.1 -43.1 42.8 21.2 42.2 793 326 B G H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.889 110.4 50.6 -60.8 -42.5 43.9 23.6 44.9 794 327 B V H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.932 110.0 48.7 -62.4 -48.4 46.3 25.3 42.5 795 328 B E H X S+ 0 0 54 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.872 113.6 46.9 -61.4 -41.3 43.6 25.8 39.8 796 329 B E H X S+ 0 0 56 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.876 110.9 52.6 -67.6 -38.6 41.2 27.3 42.3 797 330 B A H < S+ 0 0 13 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.889 112.6 44.8 -62.0 -40.9 44.0 29.5 43.7 798 331 B L H ><>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 3,-0.7 0.878 111.6 52.2 -71.2 -40.6 44.7 30.8 40.2 799 332 B S H ><5S+ 0 0 63 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.888 108.4 51.8 -60.4 -41.6 41.0 31.3 39.4 800 333 B G T 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.575 103.2 59.3 -72.4 -11.7 40.6 33.3 42.6 801 334 B L T < 5S- 0 0 24 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.2 0.517 126.2 -99.4 -91.5 -8.5 43.5 35.5 41.5 802 335 B G T < 5S+ 0 0 42 -3,-1.1 2,-0.5 -4,-0.4 -3,-0.2 0.762 74.8 139.8 97.3 32.6 41.6 36.4 38.4 803 336 B V < - 0 0 6 -5,-1.6 2,-0.7 30,-0.0 -1,-0.3 -0.909 54.1-127.4-111.3 130.4 43.1 34.1 35.7 804 337 B D - 0 0 112 -2,-0.5 3,-0.4 1,-0.1 26,-0.1 -0.677 27.1-177.0 -73.5 113.7 41.1 32.4 33.0 805 338 B T + 0 0 25 -2,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.172 51.2 105.9-101.6 15.4 42.2 28.7 33.5 806 339 B A S S+ 0 0 85 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.725 83.5 47.7 -69.0 -24.2 40.3 27.2 30.6 807 340 B G S S+ 0 0 15 -3,-0.4 2,-0.3 16,-0.1 -1,-0.2 0.657 95.5 98.6 -86.1 -19.2 43.5 26.9 28.5 808 341 B L - 0 0 15 -3,-0.4 2,-0.4 -4,-0.1 14,-0.2 -0.512 44.6-179.9 -76.8 130.9 45.3 25.3 31.5 809 342 B V B -R 821 0T 68 12,-2.7 12,-2.4 -2,-0.3 2,-0.5 -0.964 16.8-161.1-123.0 112.7 45.8 21.5 31.8 810 343 B L + 0 0 35 -2,-0.4 10,-0.1 10,-0.2 3,-0.1 -0.846 29.4 152.7 -99.4 123.0 47.8 20.9 35.1 811 344 B N S S- 0 0 37 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.588 71.1 -3.6-119.1 -25.1 49.5 17.5 35.5 812 345 B D - 0 0 1 5,-0.1 -1,-0.4 1,-0.1 -290,-0.1 -0.940 62.9-115.2-153.4-179.3 52.4 18.5 37.9 813 346 B G S S+ 0 0 1 -2,-0.3 -291,-0.3 1,-0.1 -290,-0.1 0.781 104.8 48.7 -90.5 -29.8 53.9 21.5 39.6 814 347 B S S S- 0 0 0 -292,-0.1 -295,-0.5 -296,-0.1 -296,-0.3 0.781 101.2-117.6 -85.5 -30.6 57.4 21.6 37.9 815 348 B G S S+ 0 0 1 -297,-0.2 -300,-0.3 -298,-0.1 5,-0.1 0.456 81.1 119.1 100.0 5.9 56.5 21.4 34.2 816 349 B L + 0 0 23 -301,-0.1 2,-0.1 -300,-0.1 -300,-0.1 0.842 51.7 90.6 -72.2 -33.4 58.4 18.1 33.8 817 350 B S > - 0 0 0 1,-0.1 3,-0.8 -302,-0.1 -302,-0.3 -0.391 69.0-149.5 -65.1 136.9 55.2 16.3 32.8 818 351 B R T 3 S+ 0 0 80 -214,-0.4 -1,-0.1 1,-0.2 -305,-0.1 0.329 92.9 74.8 -89.5 7.5 54.5 16.3 29.1 819 352 B G T 3 S+ 0 0 29 2,-0.0 2,-0.4 -306,-0.0 -1,-0.2 0.128 74.0 109.0 -98.3 15.2 50.8 16.2 30.0 820 353 B N < - 0 0 0 -3,-0.8 2,-0.4 -5,-0.1 -10,-0.2 -0.766 46.5-176.3 -91.9 138.6 51.0 19.9 30.9 821 354 B L B +R 809 0T 44 -12,-2.4 -12,-2.7 -2,-0.4 2,-0.3 -0.993 9.8 160.4-138.6 131.1 49.3 22.5 28.7 822 355 B V B -B 512 0L 0 -310,-2.5 -310,-2.8 -2,-0.4 2,-0.3 -0.817 28.4-131.5-126.0 171.9 49.3 26.3 28.9 823 356 B T > - 0 0 9 -2,-0.3 4,-1.7 -312,-0.2 -314,-0.1 -0.945 22.5-123.1-118.4 153.2 48.5 29.1 26.5 824 357 B A H > S+ 0 0 0 -314,-0.5 4,-2.3 -317,-0.4 5,-0.2 0.918 115.1 55.3 -53.6 -45.7 50.7 32.2 25.9 825 358 B D H > S+ 0 0 63 -317,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.924 105.9 50.5 -52.6 -50.6 47.7 34.3 26.8 826 359 B T H > S+ 0 0 8 -318,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.831 108.8 51.8 -59.2 -37.1 47.2 32.5 30.1 827 360 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.955 113.2 43.6 -66.7 -48.1 50.8 33.0 31.1 828 361 B V H X S+ 0 0 9 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.897 111.0 56.2 -63.2 -42.3 50.7 36.8 30.4 829 362 B D H X S+ 0 0 49 -4,-3.1 4,-2.1 -5,-0.2 3,-0.3 0.953 110.0 45.5 -48.3 -55.2 47.3 36.9 32.1 830 363 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.874 108.2 56.5 -58.2 -42.6 49.0 35.4 35.2 831 364 B L H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.863 109.5 46.3 -61.9 -38.2 51.9 37.8 35.0 832 365 B G H >X S+ 0 0 28 -4,-2.1 4,-1.0 -3,-0.3 3,-0.6 0.928 113.1 47.7 -66.2 -49.0 49.6 40.8 35.1 833 366 B Q H 3X S+ 0 0 66 -4,-2.1 4,-1.0 1,-0.3 3,-0.3 0.841 111.7 51.1 -62.6 -34.9 47.6 39.5 38.0 834 367 B A H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.680 101.2 65.2 -75.4 -19.7 50.8 38.6 39.9 835 368 B G H << S+ 0 0 36 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.844 109.2 35.6 -67.9 -36.4 51.9 42.2 39.2 836 369 B S H < S+ 0 0 104 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.602 92.3 108.3 -97.1 -15.6 49.2 43.7 41.4 837 370 B A S >< S- 0 0 9 -4,-1.0 3,-1.8 1,-0.1 4,-0.1 -0.231 81.7-113.0 -58.7 151.9 49.0 41.0 44.1 838 371 B P T > S+ 0 0 130 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.852 116.6 54.4 -58.2 -36.2 50.4 42.0 47.6 839 372 B W T >> S+ 0 0 21 1,-0.2 4,-2.1 2,-0.1 3,-0.7 0.285 72.8 119.1 -81.3 11.7 53.3 39.6 47.3 840 373 B A H <> + 0 0 22 -3,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.746 68.8 55.7 -49.3 -34.7 54.4 41.1 43.9 841 374 B Q H <> S+ 0 0 168 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.895 110.8 40.8 -71.2 -43.6 57.8 42.1 45.2 842 375 B T H <> S+ 0 0 40 -3,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.869 114.8 54.8 -71.0 -37.6 59.0 38.7 46.4 843 376 B W H >X S+ 0 0 2 -4,-2.1 4,-0.6 1,-0.2 3,-0.5 0.945 113.1 40.0 -56.7 -52.8 57.4 37.1 43.3 844 377 B S H >< S+ 0 0 30 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.814 110.3 59.3 -72.0 -31.0 59.4 39.3 40.9 845 378 B A H 3< S+ 0 0 58 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.746 101.3 55.9 -68.9 -24.8 62.6 39.2 43.0 846 379 B S H << S+ 0 0 1 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.678 86.2 98.8 -81.8 -19.0 62.7 35.4 42.6 847 380 B L S << S- 0 0 0 -3,-0.6 -84,-0.1 -4,-0.6 30,-0.1 -0.464 88.0 -99.6 -69.3 138.7 62.6 35.5 38.8 848 381 B P - 0 0 0 0, 0.0 28,-2.2 0, 0.0 2,-0.6 -0.311 33.6-136.6 -55.9 137.8 66.0 35.2 37.0 849 382 B V B > -Y 875 0K 23 8,-1.8 3,-1.6 26,-0.2 26,-0.2 -0.909 27.3-106.4-103.7 121.8 67.5 38.5 35.9 850 383 B A T 3 S- 0 0 0 24,-2.7 22,-3.2 -2,-0.6 12,-0.2 -0.110 92.1 -2.8 -49.1 126.6 69.0 38.5 32.4 851 384 B G T 3 S+ 0 0 5 10,-2.0 2,-0.5 13,-0.8 -1,-0.2 0.369 84.5 143.9 79.1 -3.2 72.8 38.6 32.2 852 385 B E < - 0 0 63 -3,-1.6 6,-0.3 1,-0.1 -1,-0.2 -0.599 40.4-154.1 -76.2 120.2 73.6 38.7 35.9 853 386 B S S S+ 0 0 88 -2,-0.5 -1,-0.1 5,-0.1 9,-0.1 0.728 70.4 95.2 -68.0 -26.4 76.7 36.7 36.6 854 387 B D S >>>S- 0 0 86 1,-0.2 4,-3.4 2,-0.1 3,-2.7 -0.596 72.8-145.3 -68.5 114.7 75.7 36.0 40.3 855 388 B P H 3>5S+ 0 0 52 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.833 99.3 53.9 -51.7 -37.5 74.0 32.6 40.1 856 389 B F H 345S+ 0 0 58 2,-0.1 -93,-0.1 1,-0.1 -2,-0.1 0.412 120.3 32.6 -81.4 1.5 71.6 33.6 42.9 857 390 B V H <45S+ 0 0 54 -3,-2.7 -8,-1.8 -5,-0.2 -1,-0.1 0.664 129.1 31.5-116.2 -50.3 70.6 36.7 40.8 858 391 B G H ><5S+ 0 0 0 -4,-3.4 3,-2.1 -6,-0.3 -2,-0.1 0.807 81.7 165.4 -81.8 -32.8 70.9 35.7 37.2 859 392 B G G >< S+ 0 0 12 -2,-0.4 3,-1.1 1,-0.2 6,-0.4 0.712 74.8 164.2 69.0 26.0 71.6 38.5 27.0 866 399 B R T 3 + 0 0 129 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.571 67.9 18.5 -73.1 136.6 74.9 40.0 28.3 867 400 B G T 3 S+ 0 0 51 1,-0.3 2,-0.3 -2,-0.3 -1,-0.2 0.728 106.6 110.3 72.6 23.6 75.8 43.3 26.6 868 401 B T S X S- 0 0 36 -3,-1.1 3,-1.9 62,-0.1 -1,-0.3 -0.844 87.5-103.4-121.4 162.3 72.3 43.8 25.4 869 402 B A T 3 S+ 0 0 4 -2,-0.3 61,-0.2 1,-0.3 52,-0.1 0.813 120.4 61.4 -47.7 -33.7 69.5 46.2 26.4 870 403 B A T >> S+ 0 0 0 3,-0.1 3,-2.1 59,-0.1 4,-1.9 0.680 74.8 116.5 -71.8 -20.6 68.0 43.3 28.4 871 404 B E T <4 S- 0 0 59 -3,-1.9 -20,-0.2 -6,-0.4 59,-0.1 -0.290 93.9 -3.8 -58.5 125.1 71.0 42.9 30.7 872 405 B G T 34 S+ 0 0 36 -22,-3.2 -1,-0.3 2,-0.2 -21,-0.1 0.390 129.8 74.3 73.5 -3.2 70.0 43.6 34.3 873 406 B V T <4 S+ 0 0 21 -3,-2.1 -2,-0.2 -23,-0.2 2,-0.2 0.874 71.6 73.8-103.9 -62.4 66.6 44.5 33.1 874 407 B V < - 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0 0 11 -24,-0.3 -1,-0.2 -418,-0.2 -420,-0.1 -0.491 29.6-163.3 -67.7 126.9 61.9 83.7 27.6 1840 441 D S + 0 0 116 -422,-0.6 -1,-0.1 -2,-0.3 3,-0.1 0.412 66.6 69.6 -94.5 0.7 63.7 87.1 27.7 1841 442 D G S S- 0 0 43 -425,-0.5 -26,-0.2 1,-0.3 2,-0.1 0.061 101.8 -54.1 -93.9-152.3 65.5 86.6 24.4 1842 443 D P S S- 0 0 97 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 -0.298 75.7 -76.5 -74.3 169.3 64.3 86.6 20.9 1843 444 D A - 0 0 46 1,-0.1 2,-1.2 -3,-0.1 3,-0.3 -0.515 40.1-131.3 -69.9 140.0 61.5 84.2 20.0 1844 445 D P > + 0 0 6 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.468 53.7 141.3 -88.1 64.0 62.6 80.6 19.6 1845 446 D L H > S+ 0 0 59 -2,-1.2 4,-2.6 1,-0.2 5,-0.1 0.727 73.4 57.1 -75.6 -21.3 61.0 79.7 16.3 1846 447 D A H > S+ 0 0 72 -3,-0.3 4,-3.5 2,-0.2 5,-0.2 0.934 104.0 51.3 -70.8 -47.4 64.1 77.8 15.5 1847 448 D V H > S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.927 115.4 42.5 -54.2 -47.9 63.8 75.6 18.6 1848 449 D Q H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.919 114.1 52.1 -62.8 -46.3 60.1 74.9 17.6 1849 450 D D H X S+ 0 0 31 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.919 107.2 52.6 -55.3 -49.2 61.2 74.4 13.9 1850 451 D A H X S+ 0 0 44 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.914 112.4 44.2 -54.7 -49.3 63.9 71.9 14.9 1851 452 D I H X S+ 0 0 1 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.877 112.7 53.4 -64.0 -39.4 61.4 69.8 16.9 1852 453 D A H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.896 112.1 43.2 -63.5 -42.7 58.8 70.1 14.1 1853 454 D V H X S+ 0 0 16 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.898 108.1 58.7 -70.9 -42.0 61.2 68.8 11.4 1854 455 D R H X S+ 0 0 26 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.879 107.9 47.9 -53.2 -39.9 62.5 66.0 13.6 1855 456 D L H X S+ 0 0 0 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.829 107.3 55.1 -71.1 -34.5 59.0 64.7 13.9 1856 457 D A H <>S+ 0 0 0 -4,-1.2 5,-1.9 2,-0.2 -2,-0.2 0.849 107.9 49.6 -66.0 -35.6 58.4 65.0 10.1 1857 458 D E H ><5S+ 0 0 76 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.851 105.6 57.4 -68.1 -38.0 61.5 62.8 9.6 1858 459 D Y H 3<5S+ 0 0 7 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 100.7 57.8 -63.0 -29.6 60.1 60.3 12.1 1859 460 D A T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -5,-0.1 -32,-0.2 0.172 128.8 -99.1 -87.8 15.7 57.0 60.1 9.9 1860 461 D G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.377 78.4 138.3 88.6 -2.8 59.3 58.9 7.0 1861 462 D H < - 0 0 59 -5,-1.9 2,-0.3 1,-0.0 -1,-0.3 -0.440 39.1-145.9 -78.8 149.7 59.5 62.3 5.2 1862 463 D Q - 0 0 157 -61,-0.1 -62,-0.1 -2,-0.1 -1,-0.0 -0.879 21.2-107.5-116.8 146.9 62.8 63.6 3.8 1863 464 D A - 0 0 43 -2,-0.3 -62,-0.2 1,-0.1 -63,-0.1 -0.595 46.9-122.2 -67.3 124.0 64.3 67.1 3.4 1864 465 D P 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -63,-0.0 -0.081 360.0 360.0 -66.4 167.8 64.1 68.0 -0.3 1865 466 D E 0 0 228 -65,-0.0 -65,-0.0 0, 0.0 -66,-0.0 -0.987 360.0 360.0-133.8 360.0 67.1 68.9 -2.6