==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JUL-11 3ZVW . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP. R39; . AUTHOR E.SAUVAGE,A.ZERVOSEN,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) . 72105.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1314 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 99 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 290 15.6 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 . 147 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 220 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 432 23.2 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 1 1 2 0 0 3 3 9 5 7 5 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 8 7 7 0 0 0 0 1 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 6 10 8 0 8 2 8 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 10 5 4 2 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 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 0 153 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.8 -14.4 -34.1 42.1 2 2 A L H > + 0 0 42 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.857 360.0 53.1 -68.1 -38.7 -12.2 -32.8 39.2 3 3 A T H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 105.8 53.3 -68.0 -37.0 -15.2 -33.0 36.8 4 4 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.929 108.1 51.0 -60.1 -47.5 -17.3 -30.8 39.2 5 5 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.914 108.6 50.9 -55.8 -48.8 -14.6 -28.2 39.3 6 6 A R H X S+ 0 0 100 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.880 111.0 48.1 -59.4 -42.5 -14.3 -28.0 35.5 7 7 A E H X S+ 0 0 112 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.878 111.5 50.4 -64.6 -41.7 -18.1 -27.5 35.2 8 8 A D H X S+ 0 0 54 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.891 113.4 44.3 -66.8 -40.2 -18.2 -24.8 37.8 9 9 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 112.0 53.6 -70.4 -42.4 -15.3 -22.9 36.1 10 10 A D H < S+ 0 0 55 -4,-2.7 4,-0.4 -5,-0.2 -2,-0.2 0.941 110.8 47.5 -48.7 -51.6 -17.0 -23.4 32.7 11 11 A A H >< S+ 0 0 65 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.862 109.3 52.4 -61.8 -40.4 -20.2 -21.9 34.3 12 12 A I H >< S+ 0 0 30 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.906 105.4 56.0 -62.5 -40.8 -18.2 -19.0 35.8 13 13 A L T 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.543 91.5 72.3 -72.6 -6.6 -16.7 -18.2 32.4 14 14 A E T < S+ 0 0 142 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.375 71.2 134.5 -85.3 4.6 -20.2 -17.9 30.8 15 15 A D X - 0 0 68 -3,-1.4 3,-1.8 1,-0.1 -3,-0.0 -0.251 63.8-129.1 -59.9 137.6 -20.7 -14.6 32.6 16 16 A P G > S+ 0 0 108 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.692 104.4 71.2 -58.6 -23.8 -22.2 -11.7 30.6 17 17 A A G 3 S+ 0 0 40 1,-0.3 425,-0.4 423,-0.1 424,-0.2 0.699 93.3 57.7 -67.2 -19.1 -19.3 -9.4 31.8 18 18 A L G X S+ 0 0 15 -3,-1.8 3,-1.9 422,-0.1 2,-0.3 0.131 75.3 144.2 -96.2 18.5 -17.0 -11.4 29.5 19 19 A E T < S+ 0 0 160 -3,-1.5 422,-0.4 1,-0.3 3,-0.1 -0.427 79.2 0.5 -62.8 120.6 -19.1 -10.7 26.4 20 20 A G T 3 S+ 0 0 66 -2,-0.3 -1,-0.3 1,-0.3 2,-0.2 0.427 107.8 127.3 79.1 0.5 -16.8 -10.3 23.4 21 21 A A < - 0 0 23 -3,-1.9 2,-0.4 418,-0.0 -1,-0.3 -0.534 55.0-139.2 -90.2 153.1 -13.7 -11.0 25.7 22 22 A V E -A 438 0A 57 416,-3.2 416,-2.5 -2,-0.2 2,-0.5 -0.954 22.8-166.0-108.5 132.3 -10.9 -13.6 25.2 23 23 A S E -A 437 0A 14 -2,-0.4 2,-0.7 414,-0.2 414,-0.2 -0.943 15.8-160.0-130.3 113.1 -9.9 -15.4 28.5 24 24 A G E +A 436 0A 0 412,-2.6 412,-2.9 -2,-0.5 2,-0.4 -0.808 22.3 174.6 -85.7 116.4 -6.8 -17.5 29.1 25 25 A V E +AB 435 39A 0 14,-2.5 14,-1.7 -2,-0.7 2,-0.4 -0.945 2.7 167.2-131.8 110.7 -7.6 -19.6 32.2 26 26 A V E -AB 434 38A 1 408,-2.4 408,-2.2 -2,-0.4 2,-0.4 -0.982 10.4-175.9-128.5 132.8 -5.1 -22.2 33.4 27 27 A V E +AB 433 37A 1 10,-3.2 10,-2.1 -2,-0.4 9,-1.9 -0.997 8.9 176.7-131.1 130.7 -5.0 -24.2 36.7 28 28 A V E -AB 432 35A 22 404,-2.6 404,-2.7 -2,-0.4 2,-0.6 -0.975 32.0-128.0-135.7 141.1 -2.3 -26.6 37.7 29 29 A D E >> -A 431 0A 25 5,-2.6 4,-2.8 -2,-0.3 3,-0.7 -0.837 21.2-157.4 -85.7 119.6 -1.4 -28.7 40.7 30 30 A T T 34 S+ 0 0 56 400,-1.1 -1,-0.1 -2,-0.6 401,-0.1 0.617 84.7 63.9 -80.4 -12.2 2.2 -27.8 41.5 31 31 A A T 34 S+ 0 0 84 3,-0.1 -1,-0.2 1,-0.1 400,-0.0 0.762 125.6 10.0 -77.0 -27.4 2.9 -31.1 43.4 32 32 A T T <4 S- 0 0 103 -3,-0.7 -2,-0.2 2,-0.1 3,-0.1 0.662 95.1-116.8-123.2 -33.4 2.4 -33.3 40.3 33 33 A G < + 0 0 52 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.379 56.4 161.5 98.2 1.2 2.1 -31.0 37.3 34 34 A E - 0 0 89 -5,-0.3 -5,-2.6 1,-0.1 2,-0.9 -0.344 40.8-131.5 -59.7 124.6 -1.5 -32.1 36.7 35 35 A E E +B 28 0A 99 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.711 29.7 174.5 -77.5 106.3 -3.5 -29.8 34.5 36 36 A L E S+ 0 0 1 -9,-1.9 2,-0.3 -2,-0.9 -8,-0.2 0.798 70.1 6.4 -82.9 -31.3 -6.7 -29.3 36.5 37 37 A Y E +B 27 0A 10 -10,-2.1 -10,-3.2 -3,-0.1 2,-0.3 -0.968 62.0 173.7-155.3 135.5 -8.1 -26.7 34.0 38 38 A S E +B 26 0A 51 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.917 7.7 158.6-149.2 118.6 -7.0 -25.3 30.6 39 39 A R E S-B 25 0A 85 -14,-1.7 -14,-2.5 -2,-0.3 318,-0.1 -0.956 79.1 -19.5-141.2 123.6 -8.7 -22.9 28.3 40 40 A D S > S+ 0 0 84 -2,-0.3 3,-0.9 -16,-0.2 317,-0.4 0.871 81.8 155.7 46.1 44.7 -7.0 -20.7 25.6 41 41 A G T 3 + 0 0 4 1,-0.2 317,-2.4 -16,-0.2 318,-0.4 0.711 67.8 48.2 -71.7 -23.7 -3.7 -21.3 27.6 42 42 A G T 3 S+ 0 0 59 315,-0.1 2,-0.3 314,-0.1 -1,-0.2 0.370 85.9 118.4 -96.5 2.9 -1.5 -20.7 24.5 43 43 A E < - 0 0 90 -3,-0.9 2,-0.4 1,-0.1 314,-0.4 -0.541 65.7-126.9 -77.8 130.4 -3.3 -17.5 23.5 44 44 A Q + 0 0 91 -2,-0.3 2,-0.3 312,-0.1 312,-0.2 -0.668 41.9 160.6 -80.4 125.4 -1.3 -14.3 23.5 45 45 A L B -F 355 0B 8 310,-3.1 310,-2.9 -2,-0.4 372,-0.0 -0.965 46.1 -92.6-143.5 154.3 -2.9 -11.5 25.6 46 46 A L - 0 0 26 -2,-0.3 372,-0.2 308,-0.2 308,-0.2 -0.522 31.1-163.8 -67.8 131.2 -2.0 -8.2 27.3 47 47 A P > - 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.570 8.5-165.4 -89.3 -12.8 -1.1 -8.9 31.0 48 48 A A G > S- 0 0 3 1,-0.2 3,-2.0 302,-0.2 4,-0.1 -0.324 78.4 -9.3 43.4-133.6 -1.3 -5.4 32.4 49 49 A S G > S+ 0 0 16 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.503 118.7 85.9 -71.9 -3.9 0.5 -5.6 35.8 50 50 A N G X> S+ 0 0 0 -3,-2.1 3,-1.4 1,-0.2 4,-0.6 0.737 75.4 76.1 -60.6 -21.7 0.8 -9.3 35.7 51 51 A M H X> S+ 0 0 3 -3,-2.0 4,-1.8 1,-0.2 3,-0.8 0.815 79.3 69.7 -52.4 -34.9 3.9 -8.4 33.7 52 52 A K H <> S+ 0 0 0 -3,-1.4 4,-2.6 295,-0.5 -1,-0.2 0.724 86.9 66.2 -60.8 -25.8 5.5 -7.5 37.1 53 53 A L H <> S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.3 -1,-0.3 0.933 105.5 42.2 -57.2 -47.7 5.5 -11.3 37.9 54 54 A F H S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-1.1 0.900 110.3 47.7 -59.1 -43.8 15.3 -9.1 39.3 60 60 A L H <5S+ 0 0 3 -4,-2.2 5,-0.3 3,-0.2 -1,-0.2 0.814 115.9 45.7 -68.3 -32.9 15.6 -11.8 41.9 61 61 A E H <5S+ 0 0 76 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.933 123.2 31.9 -70.5 -49.7 17.6 -13.9 39.5 62 62 A V H <5S+ 0 0 34 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.940 133.8 24.6 -78.9 -51.2 19.9 -11.2 38.1 63 63 A L T <5S- 0 0 16 -4,-2.2 -3,-0.2 -5,-0.3 3,-0.1 0.820 102.4-129.9 -85.0 -35.7 20.3 -8.9 41.1 64 64 A G > < - 0 0 14 -5,-1.1 3,-1.8 1,-0.1 223,-0.3 0.126 23.9 -88.1 92.5 147.8 19.7 -11.3 44.1 65 65 A A T 3 S+ 0 0 29 -5,-0.3 223,-2.3 1,-0.3 224,-0.3 0.688 128.0 52.6 -62.3 -18.9 17.4 -11.1 47.1 66 66 A D T 3 S+ 0 0 108 221,-0.2 -1,-0.3 220,-0.2 -2,-0.1 0.398 80.3 125.6 -98.2 0.2 20.3 -9.3 49.0 67 67 A H < - 0 0 53 -3,-1.8 220,-2.2 219,-0.1 2,-0.3 -0.328 37.3-173.4 -64.3 137.9 20.9 -6.6 46.3 68 68 A S - 0 0 47 218,-0.2 2,-0.3 -5,-0.1 218,-0.1 -0.898 16.8-125.7-128.5 167.8 20.8 -3.0 47.6 69 69 A F - 0 0 6 216,-0.4 215,-2.7 -2,-0.3 2,-0.3 -0.878 19.2-145.7-119.6 144.9 21.0 0.4 45.8 70 70 A G E -G 283 0C 27 23,-0.4 23,-2.0 -2,-0.3 25,-0.4 -0.751 14.1-176.2-116.0 151.4 23.4 3.3 46.4 71 71 A T E -GH 282 92C 1 211,-1.7 211,-2.3 -2,-0.3 2,-0.3 -0.975 17.9-179.0-139.7 138.5 23.2 7.1 46.3 72 72 A E E -GH 281 91C 58 19,-2.4 19,-3.4 -2,-0.3 2,-0.4 -0.943 25.1-137.8-138.8 161.8 26.3 9.4 46.9 73 73 A V E -GH 280 90C 0 207,-2.8 206,-2.7 -2,-0.3 207,-1.0 -0.989 29.2-172.3-122.5 126.7 27.5 12.9 47.0 74 74 A A E -GH 278 89C 3 15,-2.6 15,-2.7 -2,-0.4 2,-0.3 -0.954 16.3-179.2-129.9 141.3 30.8 13.9 45.4 75 75 A A E -G 277 0C 0 202,-2.2 202,-3.0 -2,-0.4 13,-0.1 -0.855 43.5-108.8-124.2 162.7 33.2 16.8 45.1 76 76 A E S S- 0 0 55 11,-0.5 199,-0.4 -2,-0.3 2,-0.3 0.845 100.2 -4.7 -64.6 -32.5 36.4 17.1 43.1 77 77 A S S S- 0 0 14 200,-0.1 -1,-0.1 199,-0.1 9,-0.1 -0.949 89.2 -83.1-148.2 167.5 38.4 17.0 46.4 78 78 A A - 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0 0 32 -6,-1.7 2,-1.8 -7,-0.1 -1,-0.2 -0.938 53.7-160.1-126.1 108.6 23.5 -0.5 30.1 318 318 A G + 0 0 5 -2,-0.5 -188,-2.8 -190,-0.3 2,-0.3 -0.488 56.7 112.9 -86.0 67.8 20.7 1.2 32.1 319 319 A T S > S- 0 0 34 -2,-1.8 4,-2.3 -11,-0.2 -8,-0.2 -0.902 76.5-118.6-138.7 158.6 18.2 0.9 29.3 320 320 A W H > S+ 0 0 8 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.898 111.6 55.9 -66.8 -42.9 14.9 -0.8 28.4 321 321 A D H > S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.927 117.1 35.0 -56.7 -47.5 16.5 -2.6 25.4 322 322 A A H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 119.8 49.2 -74.2 -41.0 19.2 -4.2 27.5 323 323 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 109.7 51.6 -65.8 -41.2 17.1 -4.7 30.6 324 324 A L H X S+ 0 0 18 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.825 110.3 47.6 -68.0 -36.3 14.2 -6.3 28.7 325 325 A V H X S+ 0 0 92 -4,-1.2 4,-2.7 -5,-0.3 5,-0.2 0.872 109.6 56.0 -65.6 -41.0 16.6 -8.8 27.1 326 326 A G H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 106.3 50.0 -57.1 -42.4 18.0 -9.4 30.5 327 327 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.956 111.4 48.0 -60.2 -50.6 14.5 -10.3 31.8 328 328 A E H X S+ 0 0 61 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.923 113.9 45.9 -57.9 -48.0 13.9 -12.8 29.0 329 329 A E H X S+ 0 0 121 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.861 111.2 52.8 -65.8 -37.4 17.3 -14.5 29.4 330 330 A A H X S+ 0 0 14 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.928 109.5 48.8 -60.5 -48.1 16.8 -14.7 33.2 331 331 A L H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.6 0.899 111.1 50.6 -58.9 -44.7 13.4 -16.3 32.7 332 332 A S H ><5S+ 0 0 47 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.929 108.1 52.3 -56.8 -47.8 14.9 -18.8 30.2 333 333 A G H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.675 104.7 57.5 -63.0 -20.9 17.7 -19.7 32.7 334 334 A L H 3<5S- 0 0 22 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.599 126.4-101.5 -83.4 -16.2 15.0 -20.3 35.3 335 335 A G T <<5S+ 0 0 46 -3,-1.5 2,-0.3 -4,-0.6 -3,-0.2 0.401 74.6 142.6 109.2 0.9 13.4 -23.0 33.0 336 336 A V < - 0 0 5 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.3 -0.587 51.9-130.9 -78.1 130.1 10.6 -20.8 31.7 337 337 A D - 0 0 107 -2,-0.3 3,-0.4 1,-0.1 26,-0.1 -0.747 23.3-172.2 -77.2 112.7 9.6 -21.3 28.0 338 338 A T > + 0 0 19 -2,-0.7 3,-1.1 1,-0.2 -1,-0.1 0.131 48.4 113.1 -99.4 20.4 9.5 -17.7 26.8 339 339 A A T 3 S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.870 80.9 43.8 -57.3 -44.1 8.0 -18.4 23.3 340 340 A G T 3 S+ 0 0 13 -3,-0.4 2,-0.4 16,-0.0 -1,-0.2 0.391 94.0 106.7 -85.1 2.2 4.7 -16.6 24.0 341 341 A L < - 0 0 20 -3,-1.1 2,-0.5 14,-0.1 14,-0.2 -0.722 41.3-179.5 -92.3 127.9 6.3 -13.6 25.7 342 342 A V B -U 354 0I 61 12,-2.7 12,-2.3 -2,-0.4 2,-0.6 -0.974 15.3-160.4-121.6 115.2 6.6 -10.2 24.2 343 343 A L + 0 0 33 -2,-0.5 10,-0.1 10,-0.2 3,-0.1 -0.849 31.1 149.8-103.3 113.5 8.3 -7.8 26.6 344 344 A N S S- 0 0 40 -2,-0.6 2,-0.3 1,-0.4 -1,-0.2 0.562 73.5 -4.9-113.6 -18.6 7.9 -4.0 26.0 345 345 A D - 0 0 2 5,-0.1 -1,-0.4 -21,-0.1 -290,-0.1 -0.955 58.8-120.4-157.4 177.5 8.2 -2.9 29.6 346 346 A G S S+ 0 0 1 -2,-0.3 -291,-0.3 -46,-0.1 -290,-0.1 0.729 104.3 52.1 -92.3 -27.8 8.6 -4.2 33.2 347 347 A S S S- 0 0 0 -47,-0.1 -295,-0.5 -296,-0.1 -296,-0.2 0.793 98.7-123.7 -82.2 -30.2 5.4 -2.7 34.8 348 348 A G S S+ 0 0 1 -297,-0.2 -300,-0.2 -298,-0.1 -298,-0.1 0.398 79.2 118.1 93.6 -0.2 2.8 -3.9 32.3 349 349 A L + 0 0 23 -301,-0.1 2,-0.2 -202,-0.1 -300,-0.1 0.836 53.4 92.4 -62.7 -34.7 1.5 -0.4 31.6 350 350 A S > - 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0 0 19 -4,-0.5 2,-0.8 1,-0.2 -3,-0.2 0.980 30.3-156.1 61.2 63.1 63.8 26.0 38.3 766 299 B N >< - 0 0 12 -5,-2.4 4,-1.7 -6,-0.2 -1,-0.2 -0.628 11.7-168.3 -80.6 106.4 63.7 23.4 41.1 767 300 B N H > S+ 0 0 21 -2,-0.8 4,-1.9 2,-0.2 5,-0.2 0.855 86.3 52.3 -61.8 -41.8 61.3 20.6 40.0 768 301 B G H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 107.5 53.0 -65.0 -41.9 61.1 19.0 43.5 769 302 B H H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.932 108.1 51.9 -54.2 -47.5 60.2 22.3 45.1 770 303 B A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.903 111.8 44.0 -59.8 -44.5 57.3 22.7 42.6 771 304 B E H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.877 111.7 52.4 -72.2 -40.5 55.8 19.2 43.3 772 305 B M H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.930 107.9 53.0 -56.5 -47.0 56.1 19.6 47.0 773 306 B L H X S+ 0 0 3 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.854 106.6 53.1 -59.4 -36.8 54.3 22.9 46.8 774 307 B V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.954 111.0 45.1 -61.7 -50.3 51.5 21.2 44.9 775 308 B K H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 11,-0.2 0.832 111.7 53.3 -64.5 -31.0 51.1 18.6 47.6 776 309 B S H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.926 107.0 51.8 -63.8 -46.7 51.3 21.3 50.3 777 310 B I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.881 107.8 53.3 -54.2 -39.2 48.5 23.1 48.4 778 311 B G H X S+ 0 0 0 -4,-2.0 6,-2.0 2,-0.2 4,-1.3 0.863 108.5 49.1 -64.3 -38.6 46.5 19.8 48.6 779 312 B Q H X S+ 0 0 40 -4,-1.6 4,-1.8 4,-0.3 -2,-0.2 0.933 116.3 42.1 -64.0 -46.7 47.0 19.7 52.3 780 313 B E H < S+ 0 0 54 -4,-2.6 -699,-1.7 1,-0.2 -698,-0.3 0.906 123.5 35.7 -68.8 -42.9 45.8 23.3 52.8 781 314 B T H < S+ 0 0 33 -4,-2.9 -701,-0.4 -5,-0.2 -1,-0.2 0.599 140.7 6.4 -89.7 -10.6 42.9 23.2 50.4 782 315 B A H < S- 0 0 5 -4,-1.3 -3,-0.2 -5,-0.2 -704,-0.2 0.403 90.5-111.1-153.2 -0.2 41.8 19.6 51.0 783 316 B G S < S+ 0 0 50 -4,-1.8 2,-0.4 -5,-0.3 -4,-0.3 0.770 86.9 111.1 62.8 26.1 43.7 17.9 53.9 784 317 B A - 0 0 32 -6,-2.0 2,-2.2 -706,-0.1 -1,-0.1 -0.917 60.5-153.5-138.8 110.4 45.3 15.7 51.3 785 318 B G + 0 0 5 -190,-0.4 -188,-2.7 -2,-0.4 2,-0.3 -0.459 58.5 117.9 -81.0 68.1 49.0 15.8 50.4 786 319 B T S > S- 0 0 34 -2,-2.2 4,-2.3 -11,-0.2 5,-0.2 -0.882 74.7-121.6-132.6 158.3 48.4 14.4 46.9 787 320 B W H > S+ 0 0 10 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.922 112.3 55.7 -61.8 -45.4 48.8 15.4 43.2 788 321 B D H > S+ 0 0 61 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.909 117.4 33.5 -59.3 -45.9 45.1 14.9 42.6 789 322 B A H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 117.3 54.6 -75.9 -39.4 44.0 17.3 45.4 790 323 B G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.892 107.5 49.6 -61.3 -41.4 46.9 19.7 45.0 791 324 B L H X S+ 0 0 21 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.857 109.2 51.0 -70.0 -36.1 46.2 20.3 41.3 792 325 B V H X S+ 0 0 12 -4,-1.0 4,-2.5 -5,-0.3 5,-0.2 0.927 111.4 50.8 -58.9 -47.4 42.5 21.0 42.0 793 326 B G H X S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.881 108.6 51.5 -56.0 -43.4 43.8 23.4 44.6 794 327 B V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.940 112.4 43.9 -62.0 -49.1 46.1 25.0 42.0 795 328 B E H X S+ 0 0 58 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.906 114.1 49.8 -64.1 -44.2 43.4 25.6 39.4 796 329 B E H X S+ 0 0 42 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.907 111.5 49.6 -63.0 -42.4 40.9 26.9 41.9 797 330 B A H X S+ 0 0 13 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.911 109.9 51.1 -61.0 -45.0 43.5 29.3 43.3 798 331 B L H <>S+ 0 0 1 -4,-2.3 5,-2.1 2,-0.2 -2,-0.2 0.895 110.9 47.0 -60.8 -42.0 44.3 30.6 39.8 799 332 B S H ><5S+ 0 0 55 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.857 108.9 55.7 -70.3 -32.7 40.7 31.2 38.9 800 333 B G H 3<5S+ 0 0 62 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.796 102.6 56.7 -65.2 -30.8 40.3 33.0 42.3 801 334 B L T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.474 127.6-102.1 -77.0 -5.7 43.1 35.2 41.2 802 335 B G T < 5S+ 0 0 42 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.467 74.7 141.0 98.0 3.5 41.1 36.2 38.1 803 336 B V < - 0 0 5 -5,-2.1 2,-0.7 1,-0.0 -1,-0.3 -0.624 54.4-127.2 -79.9 132.8 42.9 34.0 35.5 804 337 B D - 0 0 108 -2,-0.3 3,-0.3 1,-0.1 26,-0.1 -0.731 27.6-175.8 -75.5 114.4 40.8 32.3 32.9 805 338 B T > + 0 0 20 -2,-0.7 3,-1.8 1,-0.2 -1,-0.1 0.251 46.5 112.1-100.0 11.0 41.9 28.6 33.2 806 339 B A T 3 S+ 0 0 86 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.814 81.6 43.8 -56.5 -37.3 39.9 27.1 30.3 807 340 B G T 3 S+ 0 0 15 -3,-0.3 2,-0.4 16,-0.0 -1,-0.3 0.271 93.8 104.5 -93.8 10.9 42.9 26.3 28.2 808 341 B L < - 0 0 16 -3,-1.8 2,-0.5 14,-0.1 14,-0.2 -0.798 44.8-174.0 -94.5 131.8 45.0 24.9 31.1 809 342 B V B -Q 821 0R 63 12,-2.4 12,-2.2 -2,-0.4 2,-0.7 -0.993 13.7-158.9-118.0 121.2 45.6 21.2 31.6 810 343 B L + 0 0 31 -2,-0.5 10,-0.1 10,-0.2 3,-0.1 -0.871 31.0 150.6-107.1 105.0 47.5 20.6 34.9 811 344 B N S S- 0 0 55 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.614 71.8 -9.5-105.2 -19.3 49.3 17.3 35.2 812 345 B D - 0 0 2 5,-0.1 -1,-0.3 1,-0.1 -290,-0.1 -0.947 59.6-114.5-160.7-178.3 52.1 18.5 37.6 813 346 B G S S+ 0 0 0 -2,-0.3 -291,-0.4 -46,-0.1 -290,-0.1 0.773 105.2 51.4 -94.0 -29.7 53.7 21.5 39.3 814 347 B S S S- 0 0 0 -47,-0.1 -295,-0.5 -296,-0.1 -296,-0.2 0.759 99.7-120.8 -81.7 -28.3 57.2 21.5 37.6 815 348 B G S S+ 0 0 1 -297,-0.2 -300,-0.3 -298,-0.1 -298,-0.1 0.377 80.2 118.5 94.5 -1.0 56.3 21.3 33.9 816 349 B L + 0 0 22 -301,-0.1 2,-0.1 -300,-0.1 -300,-0.1 0.877 51.0 89.6 -64.7 -38.6 58.2 18.0 33.6 817 350 B S > - 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