==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-10 2XLN . COMPND 2 MOLECULE: D-ALANYL-D-ALANINE CARBOXYPEPTIDASE,; . SOURCE 2 ORGANISM_SCIENTIFIC: ACTINOMADURA SP; . 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) . 71526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1321 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 295 15.8 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 . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 166 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 208 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 23.0 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 2 1 0 1 2 7 6 5 8 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 4 8 7 1 8 4 6 2 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 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 0 170 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.5 -14.6 -34.2 41.2 2 2 A L H > + 0 0 29 2,-0.2 4,-2.2 1,-0.1 3,-0.3 0.847 360.0 59.6 -83.6 -39.6 -12.8 -32.4 38.4 3 3 A T H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.866 103.3 52.3 -56.3 -41.2 -15.8 -32.5 36.0 4 4 A E H > S+ 0 0 106 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 109.3 50.4 -65.4 -34.7 -17.8 -30.5 38.5 5 5 A L H X S+ 0 0 0 -4,-0.5 4,-2.2 -3,-0.3 -2,-0.2 0.900 109.1 50.2 -68.6 -43.3 -15.0 -27.9 38.7 6 6 A R H X S+ 0 0 97 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 111.1 48.5 -65.5 -40.3 -14.8 -27.5 34.9 7 7 A E H X S+ 0 0 119 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.876 110.8 51.5 -65.2 -40.3 -18.6 -27.0 34.5 8 8 A D H X S+ 0 0 58 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.892 113.3 43.3 -64.5 -43.3 -18.6 -24.4 37.3 9 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.893 110.7 56.3 -69.5 -42.2 -15.7 -22.4 35.7 10 10 A D H < S+ 0 0 54 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.909 110.6 45.5 -49.8 -47.3 -17.4 -22.8 32.2 11 11 A A H >< S+ 0 0 64 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.793 108.1 55.4 -71.1 -32.8 -20.5 -21.2 33.7 12 12 A I H >< S+ 0 0 32 -4,-1.5 3,-0.9 1,-0.2 -1,-0.2 0.901 104.7 55.1 -65.3 -40.9 -18.6 -18.4 35.5 13 13 A L T 3< S+ 0 0 24 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.488 87.5 80.0 -71.3 -4.5 -17.1 -17.5 32.1 14 14 A E T < + 0 0 136 -3,-0.8 -1,-0.3 -5,-0.1 -2,-0.1 0.242 67.7 138.2 -84.4 13.4 -20.6 -17.1 30.6 15 15 A D X - 0 0 65 -3,-0.9 3,-2.0 1,-0.1 -3,-0.0 -0.339 61.4-134.7 -64.3 135.0 -20.8 -13.7 32.2 16 16 A P G > S+ 0 0 108 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.667 106.8 67.7 -59.8 -19.6 -22.3 -10.8 30.2 17 17 A A G 3 S+ 0 0 29 1,-0.2 425,-0.3 423,-0.1 424,-0.2 0.532 98.4 52.6 -76.4 -8.0 -19.3 -8.7 31.4 18 18 A L G X S+ 0 0 15 -3,-2.0 3,-1.0 422,-0.1 2,-0.3 0.237 77.1 130.4-108.0 9.2 -17.2 -11.0 29.2 19 19 A E T < S+ 0 0 153 -3,-0.9 422,-0.3 1,-0.3 3,-0.1 -0.489 83.9 6.3 -65.7 125.0 -19.3 -10.5 26.0 20 20 A G T 3 S+ 0 0 72 1,-0.3 -1,-0.3 -2,-0.3 2,-0.1 0.169 108.3 118.9 85.8 -18.6 -16.9 -9.7 23.2 21 21 A A < - 0 0 22 -3,-1.0 2,-0.4 416,-0.0 -1,-0.3 -0.354 58.9-138.3 -76.9 156.2 -13.9 -10.3 25.4 22 22 A V E -A 438 0A 62 416,-2.9 416,-3.1 -3,-0.1 2,-0.4 -0.973 24.1-170.0-111.6 134.3 -11.2 -12.9 24.9 23 23 A S E -A 437 0A 18 -2,-0.4 2,-0.6 414,-0.2 414,-0.2 -0.986 16.6-157.6-134.2 125.5 -10.1 -14.8 28.1 24 24 A G E +A 436 0A 0 412,-2.8 412,-2.4 -2,-0.4 2,-0.5 -0.901 18.9 178.4 -99.5 117.5 -7.2 -17.1 28.7 25 25 A V E +AB 435 39A 0 14,-2.2 14,-1.8 -2,-0.6 2,-0.4 -0.959 4.5 168.1-127.9 115.2 -7.8 -19.4 31.7 26 26 A V E -AB 434 38A 0 408,-2.3 408,-2.2 -2,-0.5 2,-0.4 -0.990 9.3-178.5-131.0 125.4 -5.3 -22.0 32.9 27 27 A V E +AB 433 37A 1 10,-2.7 9,-2.1 -2,-0.4 10,-2.0 -0.993 10.8 175.6-123.3 126.5 -5.3 -24.0 36.1 28 28 A V E -AB 432 35A 26 404,-2.9 404,-2.8 -2,-0.4 2,-0.8 -0.980 33.5-124.9-131.4 140.1 -2.5 -26.5 36.8 29 29 A D E > -A 431 0A 27 5,-3.0 4,-0.5 -2,-0.4 402,-0.2 -0.795 20.4-164.1 -81.9 111.4 -1.6 -28.6 39.8 30 30 A T T 4 S+ 0 0 57 400,-1.2 -1,-0.2 -2,-0.8 3,-0.1 0.758 84.6 56.3 -69.1 -26.6 2.0 -27.7 40.6 31 31 A A T 4 S+ 0 0 70 399,-0.3 -1,-0.2 1,-0.2 400,-0.1 0.932 125.6 15.5 -70.5 -48.9 2.5 -30.8 42.8 32 32 A T T 4 S- 0 0 105 2,-0.1 2,-0.4 0, 0.0 -2,-0.2 -0.076 97.9-118.2-124.2 31.4 1.5 -33.4 40.2 33 33 A G < + 0 0 59 -4,-0.5 2,-0.3 1,-0.2 -3,-0.1 0.295 58.7 153.5 59.2 -9.5 1.7 -31.5 36.9 34 34 A E - 0 0 93 -2,-0.4 -5,-3.0 -6,-0.1 2,-0.8 -0.339 42.6-140.2 -67.4 118.4 -2.0 -32.1 36.1 35 35 A E E +B 28 0A 100 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.677 23.8 179.1 -73.9 109.5 -3.6 -29.4 33.9 36 36 A L E + 0 0 1 -9,-2.1 2,-0.3 -2,-0.8 -8,-0.2 0.798 64.7 12.7 -88.7 -33.4 -7.0 -29.0 35.6 37 37 A Y E +B 27 0A 9 -10,-2.0 -10,-2.7 -28,-0.0 2,-0.3 -0.985 60.9 175.4-147.8 137.1 -8.5 -26.4 33.3 38 38 A S E +B 26 0A 47 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.931 8.0 160.0-146.2 119.2 -7.4 -24.9 29.9 39 39 A R E S-B 25 0A 117 -14,-1.8 -14,-2.2 -2,-0.3 4,-0.1 -0.934 81.7 -21.1-140.1 114.8 -9.2 -22.4 27.7 40 40 A D S > S+ 0 0 80 -2,-0.4 3,-1.2 -16,-0.2 317,-0.4 0.911 79.8 164.8 50.4 49.9 -7.3 -20.5 25.1 41 41 A G T 3 S+ 0 0 6 1,-0.3 317,-2.4 -16,-0.1 318,-0.4 0.804 71.5 43.2 -65.8 -34.1 -4.1 -21.2 26.9 42 42 A G T 3 S+ 0 0 60 315,-0.2 2,-0.5 314,-0.1 -1,-0.3 0.169 84.5 124.5 -98.3 15.4 -1.8 -20.3 24.0 43 43 A E < - 0 0 90 -3,-1.2 314,-0.4 -4,-0.1 2,-0.4 -0.659 63.3-126.3 -80.6 124.6 -3.7 -17.1 23.1 44 44 A Q + 0 0 97 -2,-0.5 2,-0.3 312,-0.1 312,-0.2 -0.586 42.8 164.1 -74.5 122.7 -1.6 -14.0 23.0 45 45 A L B -F 355 0B 8 310,-3.1 310,-2.5 -2,-0.4 372,-0.1 -0.939 45.5 -92.8-139.4 157.2 -3.1 -11.3 25.2 46 46 A L - 0 0 27 -2,-0.3 308,-0.1 308,-0.2 372,-0.1 -0.566 32.4-168.3 -64.2 127.5 -2.3 -8.0 27.0 47 47 A P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.671 9.3-171.0 -89.6 -17.1 -1.1 -8.8 30.5 48 48 A A G > S- 0 0 1 300,-0.3 3,-1.9 1,-0.2 4,-0.1 -0.400 77.3 -4.1 45.2-128.0 -1.2 -5.3 32.0 49 49 A S G > S+ 0 0 14 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.546 118.6 82.9 -70.5 -8.9 0.5 -5.6 35.4 50 50 A N G X> S+ 0 0 0 -3,-1.9 3,-1.1 1,-0.2 4,-0.7 0.669 75.9 76.4 -60.2 -18.1 0.8 -9.4 35.2 51 51 A M H <> S+ 0 0 1 -3,-1.9 4,-2.0 296,-0.3 -1,-0.2 0.733 80.6 69.2 -61.7 -24.1 4.0 -8.4 33.2 52 52 A K H <> S+ 0 0 0 -3,-1.6 4,-3.1 295,-0.5 5,-0.3 0.762 86.5 65.9 -66.1 -27.9 5.5 -7.6 36.6 53 53 A L H <> S+ 0 0 0 -3,-1.1 4,-2.0 -4,-0.3 -1,-0.2 0.958 107.6 39.9 -55.9 -49.8 5.5 -11.4 37.4 54 54 A F H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.923 116.7 49.8 -65.1 -47.2 8.1 -11.8 34.6 55 55 A T H X S+ 0 0 2 -4,-2.0 4,-1.9 291,-0.4 -2,-0.2 0.891 112.4 46.9 -56.2 -47.4 10.0 -8.7 35.5 56 56 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.880 111.0 50.9 -67.3 -41.6 10.2 -9.6 39.2 57 57 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.915 112.5 47.2 -60.9 -44.3 11.3 -13.2 38.6 58 58 A A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.852 108.9 54.7 -65.6 -38.0 14.1 -11.9 36.2 59 59 A A H X>S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-1.1 0.904 109.8 46.6 -62.1 -43.9 15.2 -9.3 38.8 60 60 A L H <5S+ 0 0 3 -4,-2.1 4,-0.3 3,-0.2 -2,-0.2 0.877 115.9 46.5 -65.4 -36.8 15.6 -12.0 41.4 61 61 A E H <5S+ 0 0 80 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.962 124.1 30.3 -69.1 -51.4 17.5 -14.2 38.9 62 62 A V H <5S+ 0 0 35 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.957 134.2 26.5 -73.1 -55.3 19.8 -11.5 37.6 63 63 A L T <5S- 0 0 16 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.840 101.9-131.4 -84.9 -34.3 20.2 -9.2 40.6 64 64 A G > < - 0 0 17 -5,-1.1 3,-1.1 -4,-0.3 223,-0.3 0.029 24.2 -89.5 94.3 153.1 19.6 -11.7 43.5 65 65 A A T 3 S+ 0 0 28 1,-0.2 223,-2.2 -5,-0.2 224,-0.3 0.742 126.5 54.7 -67.1 -23.2 17.3 -11.4 46.5 66 66 A D T 3 S+ 0 0 112 221,-0.2 -1,-0.2 220,-0.2 -2,-0.1 0.441 80.4 124.7 -92.1 -2.0 20.2 -9.7 48.5 67 67 A H < - 0 0 49 -3,-1.1 220,-2.6 219,-0.1 2,-0.3 -0.318 37.1-175.6 -62.9 136.5 20.8 -7.0 45.9 68 68 A S - 0 0 46 218,-0.2 2,-0.3 -5,-0.1 218,-0.1 -0.861 18.5-122.1-128.5 166.8 20.7 -3.4 47.2 69 69 A F - 0 0 6 216,-0.4 215,-2.1 -2,-0.3 2,-0.3 -0.874 19.8-142.7-117.3 145.4 21.0 0.0 45.5 70 70 A G E +GH 93 283C 31 23,-0.6 23,-1.7 -2,-0.3 2,-0.3 -0.791 16.1 179.1-112.3 146.0 23.4 2.9 46.0 71 71 A T E +GH 92 282C 4 211,-1.8 211,-2.4 -2,-0.3 2,-0.3 -0.984 16.9 178.7-134.5 140.7 23.3 6.7 46.1 72 72 A E E -GH 91 281C 63 19,-2.5 19,-3.3 -2,-0.3 2,-0.5 -0.952 26.9-134.0-142.9 163.1 26.3 8.9 46.8 73 73 A V E -GH 90 280C 0 207,-3.2 206,-3.1 -2,-0.3 207,-1.1 -0.984 30.8-172.2-118.7 125.4 27.4 12.5 47.1 74 74 A A E +GH 89 278C 1 15,-2.8 15,-3.0 -2,-0.5 2,-0.3 -0.948 16.6 179.9-128.8 137.3 30.8 13.5 45.4 75 75 A A E - 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0 0 33 -6,-1.7 2,-2.3 -9,-0.1 6,-0.2 -0.872 59.1-152.2-142.5 103.6 23.7 -0.4 30.0 318 318 A G B +m 129 0E 4 -190,-0.6 -188,-2.9 -2,-0.3 2,-0.3 -0.447 58.3 128.3 -74.2 76.0 20.8 1.2 32.0 319 319 A T > - 0 0 36 -2,-2.3 4,-2.1 -11,-0.3 -8,-0.2 -0.896 69.0-132.0-141.6 147.4 18.6 0.7 29.0 320 320 A W H > S+ 0 0 9 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.899 108.6 53.3 -69.0 -42.1 15.2 -0.8 28.1 321 321 A D H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.924 117.2 36.9 -59.1 -48.4 16.6 -2.6 25.0 322 322 A A H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 117.4 52.0 -69.0 -45.7 19.3 -4.3 27.1 323 323 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.865 109.1 49.0 -61.5 -40.8 17.1 -4.8 30.1 324 324 A L H X S+ 0 0 18 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.891 112.2 46.7 -70.0 -42.2 14.2 -6.5 28.2 325 325 A V H X S+ 0 0 95 -4,-1.5 4,-3.1 -5,-0.3 5,-0.2 0.905 111.7 55.1 -60.0 -42.2 16.6 -8.9 26.5 326 326 A G H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 108.0 47.2 -52.3 -47.4 18.0 -9.4 30.0 327 327 A V H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 113.5 48.3 -61.5 -45.3 14.5 -10.3 31.3 328 328 A E H X S+ 0 0 67 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.933 113.2 46.6 -63.6 -48.9 13.9 -12.7 28.4 329 329 A E H X S+ 0 0 129 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.903 112.0 51.2 -58.7 -44.8 17.3 -14.4 28.8 330 330 A A H X S+ 0 0 13 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.883 108.7 51.2 -61.1 -40.6 16.8 -14.7 32.6 331 331 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 4,-0.3 0.882 109.3 51.7 -65.2 -37.3 13.3 -16.3 32.1 332 332 A S H ><5S+ 0 0 45 -4,-1.9 3,-2.1 1,-0.2 -2,-0.2 0.937 107.3 50.7 -61.6 -50.4 14.8 -18.8 29.7 333 333 A G H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.708 103.9 60.9 -62.7 -21.4 17.6 -19.9 32.1 334 334 A L T 3<5S- 0 0 21 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.589 126.7-102.9 -76.8 -14.2 14.8 -20.3 34.7 335 335 A G T < 5S+ 0 0 43 -3,-2.1 2,-0.4 -4,-0.3 -3,-0.2 0.509 72.9 144.5 102.6 9.4 13.3 -23.0 32.3 336 336 A V < - 0 0 7 -5,-2.2 2,-0.8 -6,-0.1 -1,-0.3 -0.670 51.2-131.0 -88.5 130.7 10.4 -20.8 30.9 337 337 A D - 0 0 112 -2,-0.4 3,-0.4 1,-0.1 26,-0.1 -0.713 23.9-173.7 -74.6 110.0 9.3 -21.2 27.2 338 338 A T > + 0 0 17 -2,-0.8 3,-1.6 1,-0.2 -1,-0.1 0.233 47.5 114.9 -97.9 15.3 9.3 -17.6 26.1 339 339 A A T 3 S+ 0 0 83 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.830 82.2 39.6 -51.1 -42.4 7.8 -18.3 22.6 340 340 A G T 3 S+ 0 0 12 -3,-0.4 2,-0.6 16,-0.0 -1,-0.3 0.315 93.1 106.5 -95.6 6.4 4.5 -16.4 23.4 341 341 A L < - 0 0 17 -3,-1.6 2,-0.5 14,-0.1 14,-0.2 -0.778 43.0-175.8 -91.4 121.5 6.1 -13.5 25.3 342 342 A V B -V 354 0J 61 12,-2.6 12,-2.1 -2,-0.6 2,-0.7 -0.979 14.0-159.5-109.9 121.5 6.4 -10.1 23.7 343 343 A L + 0 0 30 -2,-0.5 10,-0.1 10,-0.2 3,-0.1 -0.892 32.1 148.9-108.9 111.5 8.3 -7.8 26.1 344 344 A N S S- 0 0 41 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.555 73.1 -8.3-114.3 -17.3 7.9 -4.0 25.6 345 345 A D - 0 0 1 5,-0.1 -1,-0.3 1,-0.1 -290,-0.1 -0.954 61.8-113.2-161.0-179.9 8.4 -2.9 29.2 346 346 A G S S+ 0 0 0 -2,-0.3 -291,-0.4 -46,-0.1 -290,-0.1 0.801 105.7 48.9 -88.5 -35.0 8.7 -4.1 32.7 347 347 A S S S- 0 0 0 -47,-0.1 -295,-0.5 -292,-0.1 -296,-0.3 0.791 99.9-119.4 -79.7 -30.9 5.5 -2.8 34.3 348 348 A G S S+ 0 0 1 -297,-0.2 -300,-0.3 -298,-0.1 5,-0.2 0.260 81.0 119.7 99.5 -8.8 2.9 -3.9 31.8 349 349 A L + 0 0 17 -300,-0.1 2,-0.1 -202,-0.1 -300,-0.1 0.879 54.1 86.8 -51.3 -42.9 1.8 -0.3 31.2 350 350 A S S > S- 0 0 0 1,-0.1 3,-1.0 -302,-0.1 -302,-0.2 -0.391 70.5-149.4 -65.8 132.1 2.8 -0.7 27.5 351 351 A R T 3 S+ 0 0 91 -214,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.355 92.1 76.6 -79.8 4.7 0.1 -2.1 25.2 352 352 A G T 3 S+ 0 0 24 2,-0.0 2,-0.2 -306,-0.0 -1,-0.2 0.404 74.0 103.4 -92.8 -1.3 2.9 -3.6 23.1 353 353 A N < - 0 0 0 -3,-1.0 2,-0.3 -5,-0.2 -10,-0.2 -0.586 49.2-177.9 -75.5 141.1 3.3 -6.4 25.7 354 354 A L B +V 342 0J 43 -12,-2.1 -12,-2.6 -2,-0.2 2,-0.3 -0.991 8.9 161.0-136.4 143.6 1.9 -9.8 25.0 355 355 A V B -F 45 0B 0 -310,-2.5 -310,-3.1 -2,-0.3 2,-0.3 -0.812 27.4-133.4-132.4 179.1 1.8 -12.9 27.2 356 356 A T > - 0 0 10 -2,-0.3 4,-1.9 -312,-0.2 -314,-0.1 -0.930 25.0-118.3-125.6 160.9 -0.2 -16.1 27.1 357 357 A A H > S+ 0 0 0 -314,-0.4 4,-2.5 -317,-0.4 -315,-0.2 0.834 116.7 54.9 -63.6 -33.9 -1.9 -17.7 30.1 358 358 A D H > S+ 0 0 60 -317,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.886 105.9 51.4 -64.8 -41.8 0.3 -20.8 29.6 359 359 A T H > S+ 0 0 9 -318,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.895 111.0 48.2 -60.3 -43.7 3.4 -18.7 29.8 360 360 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.961 113.7 46.1 -61.2 -51.9 2.2 -17.1 33.0 361 361 A V H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.876 110.5 54.7 -57.3 -42.3 1.4 -20.6 34.5 362 362 A D H X S+ 0 0 51 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.942 109.7 46.5 -54.0 -52.1 4.8 -21.8 33.2 363 363 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.876 108.7 55.9 -58.2 -42.8 6.5 -19.0 35.1 364 364 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.879 110.4 45.1 -58.3 -41.9 4.4 -19.7 38.2 365 365 A G H X S+ 0 0 21 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.919 115.7 45.4 -67.0 -46.9 5.7 -23.3 38.2 366 366 A Q H < S+ 0 0 67 -4,-2.4 -2,-0.2 1,-0.2 3,-0.2 0.815 114.3 48.4 -68.6 -33.9 9.3 -22.4 37.6 367 367 A A H >< S+ 0 0 0 -4,-2.7 3,-1.0 -5,-0.2 -1,-0.2 0.807 101.7 66.3 -73.6 -31.6 9.3 -19.6 40.2 368 368 A G H 3< S+ 0 0 26 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.800 108.5 36.2 -60.4 -34.5 7.7 -21.9 42.8 369 369 A S T 3< S+ 0 0 103 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.259 93.3 115.1-105.5 10.6 10.8 -24.2 43.0 370 370 A A S X S- 0 0 13 -3,-1.0 3,-1.4 1,-0.1 4,-0.1 -0.331 79.4-114.2 -70.7 157.5 13.4 -21.4 42.6 371 371 A P T 3 S+ 0 0 129 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.876 119.8 50.6 -60.6 -34.1 15.7 -20.7 45.5 372 372 A W T 3> S+ 0 0 17 1,-0.2 4,-2.2 2,-0.1 3,-0.3 0.158 76.4 119.8 -89.0 18.3 14.1 -17.2 45.8 373 373 A A H <> S+ 0 0 9 -3,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.763 70.8 49.5 -55.4 -36.4 10.5 -18.8 45.9 374 374 A Q H > S+ 0 0 151 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.884 112.1 44.8 -76.8 -40.5 9.6 -17.5 49.4 375 375 A T H > S+ 0 0 35 -3,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.866 115.3 50.4 -70.5 -36.3 10.5 -13.8 48.9 376 376 A W H >< S+ 0 0 2 -4,-2.2 3,-0.9 2,-0.2 4,-0.5 0.951 113.7 44.9 -57.3 -53.8 8.8 -14.0 45.4 377 377 A S H >< S+ 0 0 23 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.860 107.4 58.9 -61.5 -38.6 5.7 -15.5 47.1 378 378 A A H 3< S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.687 99.9 57.0 -67.1 -22.8 5.7 -13.0 49.9 379 379 A S T << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.616 86.5 101.6 -82.6 -16.0 5.5 -10.0 47.5 380 380 A L S < S- 0 0 0 -3,-1.1 -84,-0.1 -4,-0.5 30,-0.1 -0.540 83.8-105.9 -75.1 130.8 2.2 -11.4 46.0 381 381 A P - 0 0 0 0, 0.0 28,-1.7 0, 0.0 2,-0.5 -0.232 30.7-138.1 -48.5 137.9 -1.1 -9.8 47.1 382 382 A V B > -C 408 0A 24 8,-1.6 3,-1.3 26,-0.2 26,-0.2 -0.940 28.7-102.7-108.6 123.9 -3.0 -12.1 49.5 383 383 A A T 3 S- 0 0 0 24,-2.8 22,-2.6 -2,-0.5 12,-0.2 -0.116 93.1 -5.4 -51.2 126.2 -6.8 -12.2 48.8 384 384 A G T 3 S+ 0 0 1 10,-2.5 2,-0.5 13,-0.9 -1,-0.2 0.716 84.0 149.9 66.0 28.9 -9.0 -10.2 51.2 385 385 A E < - 0 0 63 -3,-1.3 6,-0.4 9,-0.2 -1,-0.2 -0.857 39.8-148.5 -99.3 126.5 -6.4 -9.0 53.7 386 386 A S S S+ 0 0 78 -2,-0.5 -1,-0.1 5,-0.1 9,-0.1 0.775 75.9 86.1 -63.0 -39.0 -7.1 -5.6 55.3 387 387 A D S >> S- 0 0 85 1,-0.2 4,-3.4 2,-0.1 3,-1.7 -0.579 74.9-144.1 -64.7 120.9 -3.5 -4.5 55.7 388 388 A P H 3> S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.855 100.1 57.8 -54.7 -38.2 -2.5 -2.8 52.4 389 389 A F H 34 S+ 0 0 54 1,-0.2 -93,-0.1 2,-0.2 -3,-0.1 0.481 118.2 32.1 -75.8 -1.1 1.0 -4.2 52.7 390 390 A V H <4 S+ 0 0 51 -3,-1.7 -8,-1.6 -5,-0.2 -1,-0.2 0.688 130.7 30.3-113.5 -51.0 -0.5 -7.7 52.9 391 391 A G H >< S+ 0 0 0 -4,-3.4 3,-2.2 -6,-0.4 -2,-0.2 0.846 80.7 164.4 -80.2 -37.5 -3.6 -7.6 50.7 392 392 A G G >< S- 0 0 11 -4,-1.5 3,-1.7 -5,-0.5 4,-0.3 -0.285 74.7 -2.0 57.8-130.9 -2.4 -4.9 48.3 393 393 A T G 3 S+ 0 0 50 -97,-2.0 -1,-0.3 1,-0.3 3,-0.1 0.537 141.3 52.7 -67.2 -6.9 -4.5 -4.7 45.1 394 394 A L G X S+ 0 0 0 -3,-2.2 -10,-2.5 -98,-0.2 3,-1.3 0.216 76.5 103.9-110.0 12.2 -6.5 -7.7 46.6 395 395 A A T < S+ 0 0 6 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.882 88.2 36.5 -63.1 -43.2 -7.3 -6.1 50.0 396 396 A N T 3 S+ 0 0 134 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 -0.140 106.5 87.9-103.8 34.3 -10.9 -5.3 49.2 397 397 A R S < S+ 0 0 28 -3,-1.3 -13,-0.9 1,-0.1 -12,-0.1 -0.990 90.2 4.7-134.5 143.0 -11.5 -8.4 47.1 398 398 A M S > S+ 0 0 13 -2,-0.3 3,-1.0 1,-0.2 6,-0.3 0.627 77.7 165.9 60.5 19.5 -12.7 -11.9 48.1 399 399 A R T 3 + 0 0 123 1,-0.2 -1,-0.2 4,-0.1 3,-0.1 -0.410 65.5 18.0 -62.0 138.0 -13.2 -11.0 51.8 400 400 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 -16,-0.2 -1,-0.2 0.801 105.5 112.8 68.4 31.4 -15.3 -13.6 53.7 401 401 A T S X S- 0 0 32 -3,-1.0 3,-2.8 62,-0.1 -1,-0.3 -0.887 86.3-101.4-130.2 161.2 -14.6 -16.3 51.2 402 402 A A T 3 S+ 0 0 3 -2,-0.3 61,-0.2 1,-0.3 -3,-0.1 0.705 122.8 59.4 -50.6 -21.9 -12.7 -19.6 51.0 403 403 A A T >> S+ 0 0 0 -5,-0.2 4,-1.6 3,-0.1 3,-1.3 0.579 77.2 113.2 -85.7 -13.7 -10.1 -17.6 49.2 404 404 A E T <4 S+ 0 0 58 -3,-2.8 -20,-0.2 -6,-0.3 59,-0.1 -0.445 89.6 1.6 -67.3 125.9 -9.5 -15.1 52.0 405 405 A G T 34 S+ 0 0 35 -22,-2.6 -1,-0.2 -2,-0.2 -21,-0.1 0.329 129.2 60.3 85.6 -6.3 -6.0 -15.4 53.5 406 406 A V T <4 S+ 0 0 31 -3,-1.3 2,-0.3 -23,-0.2 -2,-0.2 0.755 74.8 84.0-119.9 -47.6 -4.8 -18.2 51.1 407 407 A V < - 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