==== 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 24-SEP-04 1W8Q . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP.; . AUTHOR E.SAUVAGE,R.HERMAN,S.PETRELLA,C.DUEZ,J.M.FRERE,P.CHARLIER . 1862 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1327 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 288 15.5 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 154 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 230 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 422 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 1.6 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 1 2 1 0 0 3 7 7 4 9 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 18 5 11 3 3 7 5 7 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 . 4 14 2 4 3 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 1 A R > 0 0 148 0, 0.0 4,-2.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -48.2 -13.7 -34.1 43.1 2 2 A L H > + 0 0 44 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.928 360.0 51.0 -50.6 -52.9 -11.5 -33.2 40.1 3 3 A T H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 109.2 51.6 -53.3 -42.6 -14.4 -33.4 37.6 4 4 A E H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.940 106.8 53.5 -62.5 -46.9 -16.5 -31.1 39.8 5 5 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 108.8 49.3 -53.2 -49.4 -13.7 -28.5 40.0 6 6 A R H X S+ 0 0 102 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.923 112.0 46.9 -57.6 -49.0 -13.5 -28.4 36.2 7 7 A E H X S+ 0 0 120 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.903 110.9 53.8 -60.1 -42.5 -17.2 -28.0 35.7 8 8 A D H X S+ 0 0 52 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.900 110.6 44.9 -60.7 -42.4 -17.3 -25.3 38.3 9 9 A I H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.921 111.0 53.9 -68.0 -42.5 -14.6 -23.3 36.6 10 10 A D H < S+ 0 0 59 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.889 111.3 47.1 -56.0 -41.4 -16.3 -23.8 33.2 11 11 A A H >< S+ 0 0 58 -4,-2.3 3,-2.1 2,-0.2 -2,-0.2 0.957 110.7 49.9 -65.4 -53.0 -19.5 -22.4 34.8 12 12 A I H >< S+ 0 0 34 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.891 107.0 56.1 -53.4 -42.0 -17.7 -19.4 36.4 13 13 A L T 3< S+ 0 0 14 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.651 90.7 75.4 -66.3 -13.3 -16.1 -18.7 33.0 14 14 A E T < + 0 0 151 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.469 68.5 132.2 -76.7 -0.5 -19.6 -18.6 31.6 15 15 A D X - 0 0 68 -3,-1.7 3,-1.8 1,-0.2 -3,-0.0 -0.227 63.2-134.6 -55.1 135.1 -20.0 -15.1 33.2 16 16 A P G > S+ 0 0 109 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.658 100.8 76.0 -66.6 -13.1 -21.4 -12.5 30.9 17 17 A A G 3 S+ 0 0 46 1,-0.3 425,-0.3 423,-0.1 424,-0.1 0.609 92.4 55.3 -71.9 -10.4 -18.7 -10.1 32.2 18 18 A L G X S+ 0 0 15 -3,-1.8 3,-1.6 422,-0.1 -1,-0.3 0.069 76.1 140.1-108.7 22.4 -16.3 -12.1 29.9 19 19 A E T < S+ 0 0 156 -3,-1.4 422,-0.4 1,-0.3 3,-0.1 -0.472 77.3 5.7 -71.2 135.6 -18.2 -11.6 26.7 20 20 A G T 3 S+ 0 0 58 1,-0.2 2,-0.5 -2,-0.2 -1,-0.3 0.677 106.3 122.7 67.9 16.8 -16.0 -11.1 23.7 21 21 A A < - 0 0 16 -3,-1.6 2,-0.4 418,-0.1 418,-0.3 -0.949 58.1-142.4-118.2 125.0 -13.0 -11.7 25.9 22 22 A V E -A 438 0A 64 416,-2.0 416,-2.5 -2,-0.5 2,-0.5 -0.697 24.4-165.4 -80.6 129.1 -10.4 -14.3 25.3 23 23 A S E -A 437 0A 10 -2,-0.4 2,-0.6 414,-0.2 414,-0.2 -0.966 14.3-154.4-125.9 121.9 -9.3 -15.8 28.7 24 24 A G E +A 436 0A 0 412,-2.7 412,-2.7 -2,-0.5 2,-0.4 -0.823 21.6 177.4 -92.6 120.4 -6.3 -17.9 29.3 25 25 A V E +AB 435 39A 0 14,-2.4 14,-1.9 -2,-0.6 2,-0.4 -0.974 5.6 165.5-130.7 120.9 -6.9 -20.1 32.3 26 26 A V E -AB 434 38A 1 408,-2.4 408,-2.0 -2,-0.4 2,-0.4 -0.996 8.7-179.1-135.6 135.0 -4.4 -22.7 33.7 27 27 A V E +AB 433 37A 0 10,-2.9 10,-2.0 -2,-0.4 9,-0.4 -0.995 7.7 175.1-136.0 130.0 -4.2 -24.5 37.0 28 28 A V E -A 432 0A 29 404,-2.8 404,-2.7 -2,-0.4 2,-1.0 -0.992 34.1-122.4-137.6 143.7 -1.6 -27.0 38.0 29 29 A D E > -A 431 0A 10 5,-2.7 4,-3.7 -2,-0.4 5,-0.4 -0.751 21.3-157.6 -86.4 103.2 -0.8 -28.9 41.1 30 30 A T T 4 S+ 0 0 50 400,-1.8 -1,-0.2 -2,-1.0 401,-0.1 0.858 88.3 48.8 -47.0 -46.7 2.8 -27.9 42.0 31 31 A A T 4 S+ 0 0 74 399,-0.8 -1,-0.1 1,-0.2 400,-0.1 0.974 124.9 23.3 -58.9 -84.1 3.4 -31.0 44.0 32 32 A T T 4 S- 0 0 94 1,-0.1 -2,-0.2 398,-0.1 -1,-0.2 0.747 96.5-131.7 -55.9 -28.4 2.1 -33.8 41.7 33 33 A G < + 0 0 53 -4,-3.7 -3,-0.2 1,-0.3 -1,-0.1 0.507 53.6 153.9 85.3 3.8 2.7 -31.6 38.6 34 34 A E - 0 0 76 -5,-0.4 -5,-2.7 1,-0.1 2,-1.1 -0.322 49.2-123.9 -66.2 146.2 -0.8 -32.6 37.4 35 35 A E + 0 0 96 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.752 29.8 178.0 -97.7 91.9 -2.7 -30.3 35.1 36 36 A L - 0 0 0 -2,-1.1 2,-0.3 -9,-0.4 -8,-0.2 0.777 66.2 -6.9 -63.2 -30.7 -6.0 -29.6 37.0 37 37 A Y E +B 27 0A 12 -10,-2.0 -10,-2.9 -28,-0.0 2,-0.3 -0.977 58.5 174.7-165.7 152.0 -7.3 -27.2 34.3 38 38 A S E +B 26 0A 48 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.908 4.5 169.2-165.3 135.4 -6.4 -25.4 31.1 39 39 A R E S-B 25 0A 94 -14,-1.9 -14,-2.4 -2,-0.3 318,-0.1 -0.864 81.9 -17.3-152.9 112.1 -8.1 -23.2 28.6 40 40 A D S > S+ 0 0 84 -2,-0.3 3,-2.0 -16,-0.2 317,-0.4 0.844 79.6 159.6 59.1 33.1 -6.3 -21.3 25.9 41 41 A G T 3 S+ 0 0 3 1,-0.3 317,-2.9 -16,-0.2 318,-0.4 0.733 72.8 47.3 -59.1 -21.6 -3.2 -21.8 27.9 42 42 A G T 3 S+ 0 0 56 315,-0.2 2,-0.3 314,-0.1 -1,-0.3 0.386 84.2 119.4-100.6 3.6 -1.1 -21.2 24.8 43 43 A E < - 0 0 82 -3,-2.0 2,-0.6 1,-0.1 314,-0.5 -0.540 66.5-126.5 -72.8 124.7 -3.0 -18.1 23.8 44 44 A Q E +G 356 0B 90 -2,-0.3 2,-0.3 312,-0.1 312,-0.2 -0.628 42.7 164.1 -76.6 119.9 -0.8 -15.0 23.7 45 45 A L E -G 355 0B 9 310,-3.3 310,-2.1 -2,-0.6 372,-0.1 -0.929 45.4 -96.3-136.1 157.8 -2.4 -12.2 25.8 46 46 A L - 0 0 26 -2,-0.3 372,-0.2 308,-0.2 308,-0.1 -0.577 31.5-162.7 -71.8 130.5 -1.4 -8.9 27.4 47 47 A P > - 0 0 1 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.589 11.0-163.3 -92.3 -10.9 -0.5 -9.7 31.0 48 48 A A G > S- 0 0 1 1,-0.3 3,-1.6 300,-0.3 4,-0.1 -0.381 75.0 -10.7 59.7-137.9 -0.7 -6.1 32.4 49 49 A S G > S+ 0 0 21 1,-0.3 3,-3.0 2,-0.2 4,-0.3 0.686 121.1 83.5 -65.6 -18.4 1.2 -6.0 35.8 50 50 A N G X> S+ 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.5 0.715 75.9 75.4 -56.1 -19.5 1.4 -9.8 35.8 51 51 A M H X> S+ 0 0 0 -3,-1.6 4,-1.5 1,-0.3 3,-0.6 0.782 78.6 71.9 -61.6 -28.0 4.5 -9.1 33.6 52 52 A K H <> S+ 0 0 0 -3,-3.0 4,-3.4 295,-0.5 -1,-0.3 0.774 84.7 68.6 -60.7 -25.2 6.2 -8.0 36.9 53 53 A L H <> S+ 0 0 0 -3,-1.5 4,-2.4 -4,-0.3 -1,-0.2 0.952 102.1 43.1 -57.6 -51.0 6.3 -11.7 37.8 54 54 A F H S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-1.9 0.892 107.9 47.7 -62.0 -42.0 15.8 -9.8 39.2 60 60 A L H <5S+ 0 0 4 -4,-1.8 5,-0.2 -3,-0.3 -1,-0.2 0.867 115.1 47.1 -67.5 -36.9 16.4 -12.5 41.8 61 61 A E H <5S+ 0 0 76 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.941 123.7 29.9 -68.8 -50.2 18.3 -14.6 39.3 62 62 A V H <5S+ 0 0 33 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.874 139.2 19.0 -81.3 -41.0 20.6 -11.9 38.0 63 63 A L T <5S- 0 0 11 -4,-2.6 4,-0.5 -5,-0.3 -3,-0.2 0.844 98.2-147.1 -97.1 -45.5 20.8 -9.6 41.0 64 64 A G > < - 0 0 10 -5,-1.9 3,-1.3 2,-0.2 223,-0.4 0.247 31.4 -80.9 89.5 145.4 19.8 -11.9 43.8 65 65 A A T 3 S+ 0 0 25 1,-0.3 223,-1.8 -5,-0.2 224,-0.3 0.821 129.4 58.5 -46.4 -37.4 18.0 -11.3 47.1 66 66 A D T 3 S+ 0 0 110 220,-0.2 -1,-0.3 221,-0.2 -2,-0.2 0.838 82.4 109.0 -63.2 -38.8 21.4 -10.1 48.5 67 67 A H < + 0 0 48 -3,-1.3 220,-3.0 -4,-0.5 2,-0.3 0.066 43.5 176.9 -43.0 147.4 21.8 -7.3 46.0 68 68 A S E -H 286 0C 45 218,-0.3 2,-0.3 219,-0.1 218,-0.2 -0.943 22.5-119.3-148.4 166.2 21.4 -3.7 47.1 69 69 A F E - 0 0 7 216,-0.5 215,-2.9 -2,-0.3 2,-0.3 -0.845 20.9-151.2-116.6 149.8 21.7 -0.3 45.4 70 70 A G E -H 283 0C 27 23,-0.4 23,-1.3 -2,-0.3 2,-0.4 -0.856 8.7-164.9-123.2 157.5 24.0 2.6 46.2 71 71 A T E -HI 282 92C 1 211,-2.4 211,-2.4 -2,-0.3 2,-0.3 -0.999 16.9-170.8-135.1 135.0 24.0 6.4 45.9 72 72 A E E -HI 281 91C 65 19,-2.8 19,-3.4 -2,-0.4 2,-0.4 -0.853 20.3-149.2-130.2 165.2 27.1 8.6 46.1 73 73 A V E -HI 280 90C 0 207,-2.3 207,-1.0 -2,-0.3 206,-0.5 -0.987 27.9-174.7-126.4 134.8 28.2 12.2 46.4 74 74 A A E -HI 278 89C 7 15,-2.4 15,-2.4 -2,-0.4 2,-0.3 -0.992 19.3-176.0-143.2 147.3 31.6 13.1 44.9 75 75 A A E -H 277 0C 1 202,-2.2 202,-3.3 -2,-0.4 3,-0.2 -0.822 42.2-110.8-125.6 164.4 34.0 16.0 44.5 76 76 A E S S- 0 0 73 11,-0.4 2,-0.3 1,-0.3 199,-0.1 0.955 101.8 -3.8 -62.7 -47.9 37.2 16.1 42.5 77 77 A S S S- 0 0 32 199,-0.2 -1,-0.3 200,-0.1 199,-0.1 -0.987 91.2 -87.8-144.5 149.4 39.2 16.2 45.7 78 78 A A - 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0 0 23 -3,-0.2 2,-0.9 1,-0.2 -3,-0.2 0.951 30.8-162.7 48.2 69.4 65.4 25.8 38.1 766 299 B N >< - 0 0 14 -5,-1.6 4,-1.7 -6,-0.2 3,-0.5 -0.714 11.8-165.9 -88.2 104.8 65.3 23.1 40.8 767 300 B N H > S+ 0 0 16 -2,-0.9 4,-2.5 1,-0.2 5,-0.3 0.856 85.6 58.3 -56.7 -42.2 62.7 20.4 39.9 768 301 B G H > S+ 0 0 7 -155,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.888 105.7 50.4 -57.3 -40.7 62.6 18.9 43.4 769 302 B H H > S+ 0 0 2 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.958 110.1 49.8 -61.2 -52.4 61.6 22.2 44.9 770 303 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.963 115.4 41.7 -50.7 -61.1 58.8 22.7 42.4 771 304 B E H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.861 116.1 49.9 -56.9 -40.0 57.3 19.2 42.9 772 305 B M H X S+ 0 0 1 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.854 110.1 51.2 -68.4 -36.1 57.8 19.4 46.7 773 306 B L H >X S+ 0 0 7 -4,-3.1 4,-2.9 2,-0.2 3,-1.3 0.987 106.2 53.9 -62.6 -57.3 56.1 22.8 46.8 774 307 B V H 3X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 -1,-0.2 0.828 110.4 47.2 -45.4 -39.2 53.1 21.5 44.9 775 308 B K H 3X S+ 0 0 0 -4,-1.4 4,-1.3 2,-0.2 -1,-0.3 0.780 109.9 53.2 -76.5 -26.0 52.7 18.7 47.4 776 309 B S H XX S+ 0 0 6 -4,-1.3 4,-2.7 -3,-1.3 3,-0.5 0.941 107.6 50.7 -69.2 -49.3 53.0 21.2 50.3 777 310 B I H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 5,-0.2 0.877 106.2 56.8 -54.4 -39.7 50.3 23.3 48.7 778 311 B G H 3X S+ 0 0 0 -4,-1.5 6,-1.6 -5,-0.3 4,-1.3 0.872 108.6 45.3 -60.8 -39.1 48.2 20.1 48.6 779 312 B Q H S- 0 0 34 -2,-1.7 4,-1.6 -190,-0.2 -2,-0.1 -0.860 74.3-121.7-121.1 156.9 49.7 14.5 46.7 787 320 B W H > S+ 0 0 10 -2,-0.3 4,-3.8 1,-0.2 5,-0.4 0.917 110.3 60.8 -62.1 -43.0 50.1 16.0 43.3 788 321 B D H > S+ 0 0 79 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.907 114.1 33.3 -50.6 -50.4 46.4 15.6 42.6 789 322 B A H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.730 118.8 58.4 -78.4 -21.2 45.4 17.9 45.4 790 323 B G H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.921 109.8 38.4 -73.8 -46.4 48.6 19.9 44.8 791 324 B L H X S+ 0 0 19 -4,-3.8 4,-3.1 2,-0.2 5,-0.2 0.922 116.1 51.8 -70.3 -45.9 47.9 20.8 41.2 792 325 B V H X S+ 0 0 33 -4,-1.6 4,-1.7 -5,-0.4 -1,-0.2 0.875 112.4 48.1 -57.7 -35.8 44.2 21.4 41.8 793 326 B G H X S+ 0 0 1 -4,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.794 110.7 51.9 -74.1 -28.1 45.3 23.7 44.6 794 327 B V H X S+ 0 0 1 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.928 106.7 51.7 -71.6 -48.3 47.8 25.4 42.3 795 328 B E H >X S+ 0 0 67 -4,-3.1 4,-2.2 2,-0.2 3,-1.2 0.975 110.4 48.0 -52.5 -62.5 45.2 26.1 39.6 796 329 B E H 3X S+ 0 0 85 -4,-1.7 4,-3.3 1,-0.3 5,-0.3 0.905 108.3 55.5 -43.5 -52.9 42.8 27.7 42.1 797 330 B A H 3< S+ 0 0 12 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.854 109.9 48.0 -50.7 -37.9 45.7 29.8 43.5 798 331 B L H X<>S+ 0 0 0 -4,-1.9 3,-1.5 -3,-1.2 5,-1.2 0.950 113.2 43.3 -70.4 -52.0 46.3 31.1 39.9 799 332 B S H ><5S+ 0 0 54 -4,-2.2 3,-2.8 1,-0.3 -2,-0.2 0.918 110.1 57.1 -61.2 -42.5 42.7 32.0 39.0 800 333 B G T 3<5S+ 0 0 67 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.612 103.7 56.8 -63.5 -8.2 42.3 33.5 42.4 801 334 B L T < 5S- 0 0 22 -3,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.438 127.0-102.2 -99.5 -4.4 45.3 35.6 41.3 802 335 B G T < 5S+ 0 0 43 -3,-2.8 -3,-0.2 1,-0.4 -2,-0.1 -0.008 78.9 132.4 109.2 -30.4 43.5 36.8 38.2 803 336 B V < - 0 0 4 -5,-1.2 2,-1.0 1,-0.1 -1,-0.4 -0.189 60.3-123.8 -56.1 144.8 45.2 34.6 35.7 804 337 B D > - 0 0 100 -3,-0.1 2,-1.7 22,-0.1 3,-0.6 -0.787 23.7-170.0 -95.5 97.1 42.9 32.8 33.2 805 338 B T T 3 + 0 0 25 -2,-1.0 -1,-0.1 1,-0.2 -6,-0.1 -0.372 52.7 108.6 -84.3 58.5 43.8 29.1 33.7 806 339 B A T 3 S+ 0 0 75 -2,-1.7 -1,-0.2 1,-0.1 -3,-0.0 0.811 78.2 40.5-101.0 -42.2 41.8 27.9 30.7 807 340 B G S < S+ 0 0 18 -3,-0.6 2,-0.2 16,-0.1 -2,-0.1 0.343 98.9 108.4 -89.1 9.0 44.5 27.0 28.2 808 341 B L - 0 0 17 -4,-0.1 2,-0.3 -297,-0.1 14,-0.2 -0.568 43.7-177.2 -89.6 149.2 46.5 25.4 31.0 809 342 B V B -Q 821 0S 58 12,-1.9 12,-2.0 -2,-0.2 2,-0.7 -0.918 12.9-159.1-144.5 110.6 47.1 21.7 31.7 810 343 B L + 0 0 39 -2,-0.3 3,-0.1 10,-0.2 10,-0.1 -0.852 27.8 155.2-101.2 114.6 49.1 21.0 34.9 811 344 B N S S- 0 0 63 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.690 74.8 -13.1-104.7 -29.2 50.8 17.6 35.0 812 345 B D - 0 0 1 5,-0.1 -1,-0.4 -210,-0.1 -290,-0.1 -0.950 62.8-114.4-160.6 172.1 53.6 18.5 37.5 813 346 B G S S+ 0 0 0 -2,-0.3 -291,-0.3 1,-0.1 -290,-0.1 0.779 105.2 56.5 -89.5 -27.5 55.1 21.6 39.0 814 347 B S S S- 0 0 0 -47,-0.1 -295,-0.5 -292,-0.1 -296,-0.2 0.836 98.0-127.1 -73.3 -34.4 58.6 21.5 37.6 815 348 B G S S+ 0 0 1 -297,-0.2 -300,-0.2 -298,-0.1 -298,-0.1 0.496 77.1 120.1 96.6 5.5 57.6 21.4 33.9 816 349 B L + 0 0 23 -300,-0.1 -300,-0.1 -301,-0.1 -201,-0.0 0.916 51.2 92.0 -66.3 -43.2 59.7 18.4 33.4 817 350 B S S > S- 0 0 3 1,-0.2 3,-1.3 -302,-0.1 -302,-0.2 -0.259 71.9-146.2 -57.5 131.0 56.6 16.5 32.3 818 351 B R T 3 S+ 0 0 75 -214,-0.3 -1,-0.2 1,-0.3 -305,-0.1 0.213 93.7 76.0 -82.3 17.3 55.8 16.5 28.7 819 352 B G T 3 S+ 0 0 22 2,-0.0 -1,-0.3 -306,-0.0 2,-0.2 0.357 72.2 101.7-105.8 0.7 52.2 16.5 29.7 820 353 B N < - 0 0 0 -3,-1.3 2,-0.3 -5,-0.1 -10,-0.2 -0.562 49.8-173.0 -85.9 152.4 52.1 20.1 30.7 821 354 B L B +Q 809 0S 45 -12,-2.0 -12,-1.9 -2,-0.2 2,-0.3 -0.996 12.0 156.2-146.2 145.7 50.6 22.8 28.5 822 355 B V B -B 512 0L 0 -310,-1.6 -310,-2.3 -2,-0.3 2,-0.3 -0.840 30.5-125.0-151.3-176.6 50.4 26.6 28.5 823 356 B T > - 0 0 9 -2,-0.3 4,-1.9 -312,-0.2 5,-0.2 -0.989 26.7-117.8-140.5 143.3 49.9 29.4 26.1 824 357 B A H > S+ 0 0 0 -314,-0.5 4,-2.1 -317,-0.4 5,-0.2 0.882 117.9 53.8 -46.5 -40.4 52.2 32.4 25.6 825 358 B D H > S+ 0 0 69 -317,-2.3 4,-3.6 1,-0.2 5,-0.2 0.973 103.0 52.0 -59.6 -59.7 49.2 34.5 26.7 826 359 B T H > S+ 0 0 10 -318,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.832 111.0 51.8 -47.3 -35.7 48.6 32.7 30.0 827 360 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.938 113.0 40.2 -70.7 -48.2 52.3 33.2 30.8 828 361 B V H X S+ 0 0 8 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.927 114.2 56.6 -65.2 -41.1 52.3 37.0 30.2 829 362 B D H >X S+ 0 0 52 -4,-3.6 4,-2.2 1,-0.2 3,-0.5 0.958 110.0 43.7 -51.3 -55.5 48.9 37.1 31.9 830 363 B L H 3X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.3 5,-0.3 0.880 111.0 55.3 -58.1 -40.0 50.4 35.5 35.0 831 364 B L H 3X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.814 108.1 50.8 -63.5 -31.0 53.5 37.8 34.7 832 365 B G H < S+ 0 0 65 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.958 118.0 47.5 -45.7 -65.0 49.2 39.7 37.9 834 367 B A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.876 104.8 61.3 -44.3 -50.4 52.3 38.6 39.7 835 368 B G H 3< S+ 0 0 35 -4,-1.9 2,-0.5 1,-0.3 -1,-0.3 0.847 110.9 38.4 -48.2 -43.3 54.1 41.8 38.7 836 369 B S T << S+ 0 0 99 -4,-1.6 -1,-0.3 -3,-1.2 -2,-0.1 -0.525 98.9 107.3-109.2 62.8 51.6 43.9 40.6 837 370 B A S X S- 0 0 18 -3,-1.0 3,-0.9 -2,-0.5 4,-0.2 -0.847 82.6 -96.4-132.5 168.5 51.0 41.7 43.6 838 371 B P T > S+ 0 0 123 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.952 124.5 34.1 -48.9 -61.2 51.9 41.7 47.3 839 372 B W T >> S+ 0 0 24 1,-0.2 4,-2.1 2,-0.1 3,-0.6 0.467 80.8 121.6 -76.7 -1.6 55.0 39.5 47.0 840 373 B A H <> S+ 0 0 20 -3,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.717 71.1 58.3 -32.3 -33.5 55.9 40.9 43.5 841 374 B Q H <> S+ 0 0 139 -3,-0.6 4,-2.2 -4,-0.2 3,-0.3 0.990 109.3 37.5 -67.5 -61.2 59.2 41.9 45.0 842 375 B T H <> S+ 0 0 40 -3,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.901 114.7 59.3 -56.9 -40.8 60.5 38.5 46.1 843 376 B W H X S+ 0 0 1 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.899 110.2 39.9 -54.3 -46.5 58.9 37.0 43.0 844 377 B S H >< S+ 0 0 21 -4,-1.8 3,-0.5 -3,-0.3 -1,-0.2 0.844 109.8 58.9 -74.4 -34.9 61.0 39.1 40.7 845 378 B A H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.752 101.5 57.8 -65.7 -23.7 64.2 38.9 42.7 846 379 B S H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.813 87.6 94.0 -76.8 -30.1 64.0 35.1 42.3 847 380 B L S << S- 0 0 0 -4,-0.7 -84,-0.1 -3,-0.5 30,-0.1 -0.323 86.3 -99.7 -67.1 144.0 64.1 35.3 38.5 848 381 B P - 0 0 0 0, 0.0 28,-1.6 0, 0.0 2,-0.6 -0.249 28.9-138.3 -62.2 146.9 67.4 35.1 36.6 849 382 B V B > -Y 875 0K 23 8,-1.2 3,-1.7 26,-0.2 26,-0.2 -0.936 23.0-116.4-115.3 115.9 69.2 38.2 35.4 850 383 B A T 3 S+ 0 0 0 24,-1.5 22,-3.2 -2,-0.6 12,-0.2 -0.046 93.1 7.2 -45.8 141.7 70.7 38.1 31.9 851 384 B G T 3 S+ 0 0 5 13,-1.8 2,-0.6 10,-1.8 -1,-0.2 0.200 85.6 139.8 71.2 -18.0 74.5 38.5 31.8 852 385 B E < - 0 0 62 -3,-1.7 6,-0.3 1,-0.2 -1,-0.2 -0.462 38.6-161.2 -65.7 110.3 75.0 38.4 35.5 853 386 B S + 0 0 82 -2,-0.6 -1,-0.2 -3,-0.1 9,-0.1 0.846 66.1 93.0 -60.1 -37.9 78.1 36.4 36.1 854 387 B D S >> S- 0 0 88 1,-0.1 4,-3.5 2,-0.1 3,-2.4 -0.472 75.2-141.5 -65.3 114.7 77.3 35.6 39.7 855 388 B P H 3> S+ 0 0 58 0, 0.0 4,-3.0 0, 0.0 6,-0.2 0.854 98.5 50.7 -40.2 -57.7 75.5 32.3 39.7 856 389 B F H 34 S+ 0 0 62 1,-0.2 -93,-0.1 2,-0.2 -2,-0.1 0.555 121.6 37.2 -66.2 -4.9 72.9 33.1 42.4 857 390 B V H <4 S+ 0 0 51 -3,-2.4 -8,-1.2 -5,-0.1 -1,-0.2 0.774 127.3 30.6-107.9 -56.0 72.2 36.3 40.5 858 391 B G H >< S+ 0 0 0 -4,-3.5 3,-2.5 -6,-0.3 -2,-0.2 0.823 81.0 167.9 -75.7 -32.3 72.4 35.2 36.9 859 392 B G G >< S- 0 0 13 -4,-3.0 3,-1.5 -5,-0.5 4,-0.2 -0.278 74.6 -7.3 54.8-134.1 71.3 31.6 37.4 860 393 B T G 3 S+ 0 0 55 -97,-1.8 -1,-0.3 -98,-0.3 3,-0.1 0.510 140.2 56.1 -71.4 -4.1 70.5 30.0 34.0 861 394 B L G X S+ 0 0 0 -3,-2.5 -10,-1.8 -6,-0.2 3,-1.2 0.272 74.5 104.0-109.3 8.4 70.9 33.4 32.3 862 395 B A T < S+ 0 0 10 -3,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.899 88.5 35.3 -56.8 -46.4 74.4 34.0 33.6 863 396 B N T 3 S+ 0 0 134 -4,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.264 104.6 91.4 -95.0 12.6 76.1 33.2 30.3 864 397 B R S < S+ 0 0 25 -3,-1.2 -13,-1.8 1,-0.2 -12,-0.1 -0.906 90.0 1.6-114.6 137.1 73.4 34.6 28.1 865 398 B M S > S+ 0 0 13 -2,-0.4 3,-1.0 1,-0.2 6,-0.5 0.806 75.0 165.5 66.2 33.9 73.1 38.2 26.7 866 399 B R T 3 + 0 0 125 1,-0.2 -1,-0.2 -3,-0.2 3,-0.1 -0.665 66.1 21.3 -81.9 135.4 76.3 39.6 28.1 867 400 B G T 3 S+ 0 0 46 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.672 104.9 104.9 84.1 17.8 77.3 42.9 26.4 868 401 B T S X S- 0 0 36 -3,-1.0 3,-1.2 63,-0.1 -1,-0.3 -0.808 90.0 -98.3-125.4 166.9 73.8 43.7 25.2 869 402 B A T 3 S+ 0 0 5 -2,-0.3 61,-0.3 1,-0.3 4,-0.1 0.786 121.8 61.0 -54.4 -26.5 71.1 46.1 26.3 870 403 B A T >> S+ 0 0 0 3,-0.1 3,-2.7 59,-0.1 4,-2.2 0.821 74.9 112.7 -72.3 -33.6 69.6 43.1 28.1 871 404 B E T <4 S- 0 0 59 -3,-1.2 -20,-0.2 -6,-0.5 -21,-0.1 -0.102 95.6 -2.9 -45.3 130.1 72.5 42.4 30.5 872 405 B G T 34 S+ 0 0 39 -22,-3.2 -1,-0.3 2,-0.2 -21,-0.1 0.367 130.0 71.3 67.1 -6.6 71.6 43.2 34.1 873 406 B V T <4 S+ 0 0 22 -3,-2.7 -2,-0.2 -23,-0.1 -1,-0.1 0.866 73.2 78.5-103.7 -55.0 68.2 44.3 32.9 874 407 B V < - 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0 0 20 -4,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.956 32.1-162.5 66.9 54.4 45.6 87.1 12.2 1698 299 D N >< - 0 0 16 -5,-2.0 4,-1.7 -6,-0.3 -1,-0.2 -0.567 12.1-165.9 -72.7 115.2 43.0 89.9 12.2 1699 300 D N H > S+ 0 0 15 -2,-0.5 4,-2.1 2,-0.2 5,-0.2 0.743 88.1 58.6 -73.9 -23.7 42.2 91.1 15.7 1700 301 D G H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.942 106.4 47.6 -68.6 -46.3 39.1 92.9 14.5 1701 302 D H H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 111.3 51.6 -59.5 -45.2 37.6 89.7 13.2 1702 303 D A H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.936 114.1 41.9 -59.4 -48.3 38.4 87.9 16.4 1703 304 D E H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.870 114.8 51.4 -69.4 -34.5 36.8 90.5 18.6 1704 305 D M H X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.862 108.4 51.5 -70.3 -33.7 33.8 90.8 16.3 1705 306 D L H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.883 106.9 54.8 -68.8 -38.1 33.3 87.0 16.2 1706 307 D V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.938 110.9 43.3 -60.3 -48.2 33.2 87.0 20.0 1707 308 D K H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 11,-0.2 0.809 112.2 54.1 -69.2 -28.8 30.5 89.6 20.2 1708 309 D S H X S+ 0 0 8 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.933 108.9 48.7 -68.1 -44.5 28.6 87.8 17.4 1709 310 D I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 5,-0.3 0.883 108.4 55.0 -60.3 -37.5 28.8 84.6 19.4 1710 311 D G H X>S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 6,-1.4 0.886 109.0 47.8 -62.8 -37.8 27.6 86.7 22.4 1711 312 D Q H X5S+ 0 0 35 -4,-1.8 4,-1.4 4,-0.3 -2,-0.2 0.954 112.9 46.8 -67.1 -50.2 24.6 87.7 20.3 1712 313 D E H <5S+ 0 0 117 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.753 123.6 32.7 -64.8 -26.1 23.8 84.2 19.1 1713 314 D T H <5S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.732 137.3 11.3-105.0 -26.7 24.1 82.7 22.6 1714 315 D A H <5S- 0 0 68 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.439 95.8-111.2-131.4 -4.6 22.9 85.3 25.1 1715 316 D G S < S- 0 0 34 -2,-2.8 4,-2.8 -11,-0.2 5,-0.2 -0.934 73.3-117.8-133.3 156.2 29.4 92.0 24.4 1719 320 D W H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.770 112.4 53.0 -63.1 -29.0 32.7 90.5 25.4 1720 321 D D H > S+ 0 0 132 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.959 113.6 40.0 -73.4 -50.3 31.4 88.9 28.5 1721 322 D A H > S+ 0 0 15 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.959 119.5 48.8 -60.8 -48.4 28.5 87.1 26.8 1722 323 D G H X S+ 0 0 0 -4,-2.8 4,-2.9 -6,-0.2 -2,-0.2 0.917 110.9 47.8 -56.1 -50.4 30.8 86.2 23.9 1723 324 D L H X S+ 0 0 18 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.803 112.6 49.6 -63.3 -31.6 33.6 84.9 26.1 1724 325 D V H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 112.0 49.9 -71.2 -42.2 31.2 82.8 28.1 1725 326 D G H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.905 109.5 49.8 -59.8 -44.6 29.8 81.6 24.7 1726 327 D V H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.889 111.1 50.7 -61.4 -39.5 33.3 80.7 23.5 1727 328 D E H X S+ 0 0 57 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.909 113.0 43.0 -66.5 -45.6 34.1 78.8 26.7 1728 329 D E H X S+ 0 0 129 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.840 110.4 56.8 -71.4 -33.5 30.9 76.7 26.6 1729 330 D A H X S+ 0 0 14 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.915 107.5 49.6 -62.7 -41.6 31.3 76.1 22.9 1730 331 D L H <>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 3,-0.4 0.877 111.2 48.0 -64.8 -40.1 34.7 74.7 23.6 1731 332 D S H ><5S+ 0 0 58 -4,-1.6 3,-2.8 1,-0.2 -2,-0.2 0.951 108.6 52.9 -66.1 -47.9 33.5 72.4 26.3 1732 333 D G H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.657 104.1 61.1 -60.9 -12.4 30.6 71.2 24.2 1733 334 D L T 3<5S- 0 0 20 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.367 124.9-102.0 -95.4 3.1 33.3 70.4 21.7 1734 335 D G T < 5S+ 0 0 48 -3,-2.8 2,-0.5 1,-0.3 -3,-0.2 0.683 78.4 133.9 86.7 17.8 35.0 68.0 24.0 1735 336 D V < - 0 0 3 -5,-2.0 2,-0.8 -4,-0.1 -1,-0.3 -0.893 57.3-128.2-106.9 130.0 37.8 70.3 25.1 1736 337 D D - 0 0 110 -2,-0.5 3,-0.4 1,-0.1 26,-0.1 -0.634 22.8-173.4 -76.0 110.7 38.8 70.6 28.8 1737 338 D T + 0 0 14 -2,-0.8 3,-0.4 1,-0.2 -1,-0.1 0.062 48.1 114.4 -94.4 24.3 38.7 74.4 29.4 1738 339 D A S S+ 0 0 76 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.939 79.3 39.5 -61.2 -51.7 40.1 74.1 33.0 1739 340 D G S S+ 0 0 17 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.1 0.543 96.2 108.1 -78.7 -4.9 43.4 75.9 32.4 1740 341 D L - 0 0 14 -3,-0.4 2,-0.3 -4,-0.1 14,-0.2 -0.336 43.4-175.1 -74.8 154.1 41.9 78.5 30.1 1741 342 D V B -H 1753 0m 58 12,-1.8 12,-1.9 -2,-0.1 2,-0.6 -0.863 11.3-161.5-149.1 106.7 41.4 82.2 30.9 1742 343 D L + 0 0 34 -2,-0.3 3,-0.1 10,-0.2 10,-0.1 -0.835 30.0 149.2-100.6 120.7 39.6 84.2 28.3 1743 344 D N S S+ 0 0 41 -2,-0.6 2,-0.3 1,-0.5 -208,-0.2 0.632 75.4 0.7-116.3 -25.9 39.8 88.0 28.3 1744 345 D D - 0 0 1 5,-0.2 -1,-0.5 -210,-0.1 -41,-0.1 -0.965 64.1-122.1-155.3 162.6 39.5 88.7 24.6 1745 346 D G S S+ 0 0 2 -2,-0.3 -291,-0.3 1,-0.2 -290,-0.1 0.585 105.8 52.8 -88.7 -9.5 39.1 86.7 21.4 1746 347 D S S S- 0 0 0 -47,-0.1 -295,-0.5 -292,-0.1 -296,-0.3 0.650 99.3-126.9 -98.0 -17.2 42.2 87.8 19.6 1747 348 D G S S+ 0 0 1 -297,-0.2 -298,-0.1 -298,-0.1 -300,-0.1 0.736 75.1 124.0 77.4 20.1 44.7 87.1 22.3 1748 349 D L + 0 0 23 -300,-0.1 2,-0.2 -49,-0.1 -300,-0.1 0.835 53.8 87.0 -78.1 -33.8 46.0 90.6 22.1 1749 350 D S S > S- 0 0 3 1,-0.1 3,-1.3 -302,-0.1 -302,-0.2 -0.468 73.3-145.7 -71.8 132.8 45.2 91.0 25.8 1750 351 D R T 3 S+ 0 0 75 -214,-0.5 -1,-0.1 1,-0.3 -213,-0.1 0.551 93.2 80.3 -71.1 -10.1 47.8 89.9 28.3 1751 352 D G T 3 S+ 0 0 30 -215,-0.1 -1,-0.3 -306,-0.0 2,-0.2 0.417 74.2 100.0 -78.6 3.1 44.9 88.8 30.5 1752 353 D N < - 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