==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-09 2WWD . COMPND 2 MOLECULE: 1,4-BETA-N-ACETYLMURAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR I.PEREZ-DORADO,R.SANLES,J.A.HERMOSO,A.GONZALEZ,A.GARCIA,P.GA . 432 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 25.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.1 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 . 42 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 1 1 0 1 0 0 0 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 0 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 PARALLEL BRIDGES PER LADDER . 12 2 4 1 9 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 9 2 0 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 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 37 A N 0 0 218 0, 0.0 2,-0.1 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 -43.1 36.3 -66.0 -5.0 2 38 A A + 0 0 46 13,-0.3 2,-0.3 12,-0.1 3,-0.1 -0.483 360.0 143.9-173.4 96.4 34.0 -63.1 -4.0 3 39 A A + 0 0 44 1,-0.2 11,-0.2 -2,-0.1 10,-0.2 -0.948 48.1 16.5-142.9 156.7 35.6 -60.6 -1.7 4 40 A A S S+ 0 0 52 9,-1.0 2,-0.3 -2,-0.3 9,-0.2 0.916 88.2 121.4 45.0 66.5 35.6 -56.8 -0.9 5 41 A Y E -A 12 0A 99 7,-1.4 7,-3.1 -3,-0.1 2,-0.5 -0.997 62.3-111.1-153.6 154.2 32.4 -55.8 -2.7 6 42 A W E -A 11 0A 61 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.740 18.4-171.6 -86.0 126.4 29.0 -54.2 -2.3 7 43 A D E > -A 10 0A 87 3,-2.5 3,-1.8 -2,-0.5 2,-0.4 -0.758 66.0 -71.1-113.5 79.9 26.0 -56.4 -2.6 8 44 A G T 3 S- 0 0 59 -2,-0.6 -1,-0.1 1,-0.3 0, 0.0 -0.595 116.7 -11.2 71.6-121.0 23.3 -53.6 -2.5 9 45 A D T 3 S+ 0 0 70 -2,-0.4 32,-1.9 -3,-0.1 -1,-0.3 0.591 127.4 84.6 -81.4 -12.2 23.2 -52.3 1.0 10 46 A Y E < -AB 7 40A 64 -3,-1.8 -3,-2.5 30,-0.2 2,-0.4 -0.501 66.4-147.1 -93.4 157.0 25.4 -55.2 2.2 11 47 A Y E -A 6 0A 15 28,-0.6 8,-2.7 8,-0.3 2,-0.5 -0.992 3.8-147.2-128.9 132.0 29.2 -55.5 2.1 12 48 A V E -AC 5 18A 5 -7,-3.1 -7,-1.4 -2,-0.4 -8,-0.3 -0.869 26.8-136.6 -99.8 123.8 31.3 -58.6 1.6 13 49 A K - 0 0 57 4,-3.5 -9,-1.0 -2,-0.5 -11,-0.1 0.002 30.1 -84.4 -77.6 177.4 34.6 -58.5 3.5 14 50 A D S S+ 0 0 143 -11,-0.2 -12,-0.1 2,-0.1 -1,-0.0 0.866 127.4 40.7 -46.0 -52.4 38.2 -59.4 2.7 15 51 A D S S- 0 0 108 -12,-0.1 -13,-0.3 2,-0.1 -1,-0.1 0.939 123.0 -92.8 -58.4 -93.8 37.6 -63.1 3.5 16 52 A G S S+ 0 0 47 -13,-0.1 2,-0.2 -15,-0.1 -2,-0.1 0.215 85.3 114.4-173.7 15.0 34.1 -63.7 2.1 17 53 A S S S- 0 0 52 1,-0.1 -4,-3.5 -5,-0.1 2,-0.3 -0.580 70.7 -97.7 -96.4 158.7 31.8 -63.0 5.0 18 54 A K B -C 12 0A 105 -6,-0.2 -6,-0.2 -2,-0.2 2,-0.1 -0.552 38.7-117.5 -72.7 135.8 29.2 -60.3 5.4 19 55 A A - 0 0 1 -8,-2.7 2,-0.3 -2,-0.3 -8,-0.3 -0.413 35.4-177.5 -67.8 150.4 30.3 -57.2 7.4 20 56 A Q - 0 0 122 -2,-0.1 17,-0.2 15,-0.1 16,-0.2 -0.904 59.2 -15.5-156.6 126.3 28.3 -56.6 10.5 21 57 A S S S+ 0 0 56 15,-1.1 2,-0.3 -2,-0.3 15,-0.2 0.921 107.0 107.1 46.1 57.3 28.5 -53.8 13.1 22 58 A E E S-D 35 0B 48 13,-1.4 13,-2.9 14,-0.1 2,-0.3 -0.995 71.5-106.2-160.2 155.4 31.9 -52.7 11.9 23 59 A W E -D 34 0B 74 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.655 34.3-175.5 -82.5 139.2 33.8 -50.0 10.0 24 60 A I E -D 33 0B 13 9,-2.2 9,-1.9 -2,-0.3 2,-0.6 -0.984 18.1-140.4-132.4 145.0 35.1 -50.9 6.5 25 61 A F E -D 32 0B 63 -2,-0.3 2,-0.6 7,-0.2 7,-0.2 -0.941 11.6-152.4-107.1 120.6 37.3 -48.9 4.2 26 62 A D E >> -D 31 0B 17 5,-2.7 5,-1.5 -2,-0.6 4,-1.3 -0.818 2.7-162.1 -90.8 124.2 36.4 -49.0 0.5 27 63 A N T 45S+ 0 0 116 -2,-0.6 -1,-0.1 2,-0.2 -2,-0.0 0.776 88.3 57.4 -78.2 -28.1 39.5 -48.4 -1.6 28 64 A Y T 45S+ 0 0 191 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.950 120.0 28.7 -63.5 -51.7 37.4 -47.5 -4.7 29 65 A Y T 45S- 0 0 105 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.691 99.3-135.7 -79.9 -19.9 35.6 -44.7 -2.9 30 66 A K T <5 + 0 0 138 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.951 65.9 116.9 54.2 54.2 38.5 -43.9 -0.6 31 67 A A E < -D 26 0B 9 -5,-1.5 -5,-2.7 26,-0.0 2,-0.3 -0.985 65.8-117.4-147.7 152.2 36.0 -43.7 2.2 32 68 A W E -D 25 0B 103 -2,-0.3 26,-2.3 -7,-0.2 2,-0.3 -0.665 26.8-172.2 -86.5 150.3 34.9 -45.3 5.5 33 69 A F E -D 24 0B 4 -9,-1.9 -9,-2.2 -2,-0.3 2,-0.6 -0.984 17.6-139.5-136.4 141.4 31.5 -46.9 5.9 34 70 A Y E -D 23 0B 27 22,-0.4 8,-3.1 -2,-0.3 2,-0.6 -0.947 15.0-151.9-104.7 121.3 29.8 -48.2 9.1 35 71 A I E -DE 22 41B 0 -13,-2.9 -13,-1.4 -2,-0.6 6,-0.3 -0.787 18.0-138.7 -90.9 121.4 27.9 -51.4 8.5 36 72 A N > - 0 0 30 4,-3.3 3,-2.1 -2,-0.6 -15,-1.1 -0.099 28.6 -94.6 -78.2 177.2 25.1 -51.8 11.0 37 73 A S T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -17,-0.2 -2,-0.0 0.701 125.0 62.3 -65.2 -19.5 23.9 -54.9 12.9 38 74 A D T 3 S- 0 0 101 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.494 119.2-112.5 -78.2 -6.8 21.4 -55.5 10.1 39 75 A G S < S+ 0 0 8 -3,-2.1 -28,-0.6 1,-0.3 2,-0.2 0.296 81.4 117.8 88.5 -7.8 24.3 -55.9 7.7 40 76 A R B S-B 10 0A 108 -30,-0.1 -4,-3.3 -5,-0.1 -1,-0.3 -0.621 72.7-101.3 -93.9 150.6 23.4 -52.7 5.8 41 77 A Y B -E 35 0B 47 -32,-1.9 2,-0.2 -6,-0.3 -6,-0.2 -0.428 37.3-122.0 -66.0 139.0 25.5 -49.6 5.5 42 78 A S + 0 0 2 -8,-3.1 -8,-0.3 14,-0.2 2,-0.3 -0.609 36.9 173.4 -79.1 143.5 24.5 -46.7 7.8 43 79 A Q + 0 0 70 -2,-0.2 10,-0.2 12,-0.1 11,-0.2 -0.990 55.2 16.5-150.7 153.1 23.5 -43.4 6.2 44 80 A N S S+ 0 0 95 8,-0.9 2,-0.3 -2,-0.3 9,-0.2 0.850 109.1 87.3 53.6 38.4 22.1 -40.0 7.2 45 81 A E E S-F 52 0C 90 7,-1.7 7,-2.9 8,-0.1 2,-0.2 -0.989 75.7-104.9-160.7 159.8 22.9 -40.9 10.8 46 82 A W E -F 51 0C 53 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.555 16.1-169.3 -83.8 148.6 25.6 -40.8 13.6 47 83 A H E > -F 50 0C 66 3,-3.0 3,-1.5 -2,-0.2 2,-0.3 -0.802 66.1 -60.9-134.9 101.4 27.6 -43.7 14.9 48 84 A G T 3 S- 0 0 61 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 -0.492 122.0 -9.7 63.0-121.9 29.4 -42.6 18.0 49 85 A N T 3 S+ 0 0 72 -2,-0.3 32,-1.9 -3,-0.1 2,-0.3 0.361 125.2 79.0 -87.4 5.9 31.7 -39.7 17.2 50 86 A Y E < -F 47 0C 63 -3,-1.5 -3,-3.0 30,-0.2 2,-0.4 -0.825 64.3-143.9-123.4 149.6 31.2 -40.1 13.4 51 87 A Y E -F 46 0C 21 28,-0.4 8,-2.7 8,-0.3 2,-0.6 -0.956 6.2-152.4-118.2 133.0 28.6 -39.2 10.8 52 88 A L E -FG 45 58C 0 -7,-2.9 -7,-1.7 -2,-0.4 -8,-0.9 -0.920 19.9-152.4-104.6 119.5 27.6 -41.3 7.8 53 89 A K > - 0 0 60 4,-2.9 3,-2.3 -2,-0.6 -8,-0.1 -0.125 40.6 -56.7 -81.2 179.5 26.2 -39.2 5.0 54 90 A S T 3 S+ 0 0 81 1,-0.3 3,-0.5 -11,-0.2 -1,-0.2 -0.379 131.7 26.6 -55.6 130.4 23.7 -40.1 2.3 55 91 A G T 3 S- 0 0 23 1,-0.2 -1,-0.3 -3,-0.1 -12,-0.1 0.386 128.2 -85.2 86.8 -3.2 25.1 -43.1 0.4 56 92 A G S < S+ 0 0 0 -3,-2.3 -22,-0.4 1,-0.2 -1,-0.2 0.226 78.9 148.4 96.5 -12.6 27.0 -44.2 3.6 57 93 A Y - 0 0 89 -3,-0.5 -4,-2.9 -5,-0.2 2,-0.3 -0.376 49.3-122.4 -66.2 123.7 30.2 -42.1 3.2 58 94 A M B -G 52 0C 13 -26,-2.3 -6,-0.2 -6,-0.2 -26,-0.2 -0.489 29.0-118.2 -63.4 126.6 31.7 -41.0 6.5 59 95 A A + 0 0 0 -8,-2.7 -8,-0.3 -2,-0.3 2,-0.3 -0.477 38.3 176.4 -67.4 137.1 32.0 -37.2 6.7 60 96 A Q - 0 0 66 -2,-0.2 17,-0.2 1,-0.1 16,-0.2 -0.990 61.9 -4.7-144.9 137.9 35.6 -35.9 7.1 61 97 A N S S+ 0 0 92 15,-1.3 2,-0.3 14,-0.5 15,-0.2 0.900 111.0 100.8 43.5 52.5 37.0 -32.4 7.2 62 98 A E E S-H 75 0D 54 13,-1.4 13,-2.8 14,-0.1 2,-0.2 -0.996 73.3-102.9-161.6 157.6 33.5 -31.0 6.5 63 99 A W E -H 74 0D 70 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.592 29.8-171.3 -81.0 143.9 30.3 -29.4 7.8 64 100 A I E -H 73 0D 21 9,-2.5 9,-2.8 -2,-0.2 2,-0.6 -0.995 12.9-148.9-132.5 133.5 27.1 -31.5 8.3 65 101 A Y E -H 72 0D 111 -2,-0.4 2,-0.7 7,-0.2 7,-0.3 -0.940 11.4-157.1-101.7 123.2 23.7 -30.1 9.1 66 102 A D E >> -H 71 0D 10 5,-3.1 5,-1.8 -2,-0.6 4,-0.9 -0.881 7.4-164.3-103.4 112.7 21.6 -32.4 11.2 67 103 A S T 45S+ 0 0 88 -2,-0.7 -1,-0.1 1,-0.2 5,-0.0 0.772 88.5 61.3 -66.7 -29.1 17.8 -31.7 10.9 68 104 A N T 45S+ 0 0 141 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.893 118.3 28.5 -61.5 -40.9 17.1 -33.8 14.0 69 105 A Y T 45S- 0 0 130 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.442 100.5-132.9 -98.0 -3.0 19.2 -31.4 16.2 70 106 A K T <5 + 0 0 160 -4,-0.9 2,-0.3 1,-0.2 -3,-0.2 0.933 68.7 117.8 45.0 53.1 18.6 -28.4 13.9 71 107 A S E < -H 66 0D 13 -5,-1.8 -5,-3.1 30,-0.0 2,-0.3 -0.999 67.2-122.5-150.0 143.6 22.3 -27.8 14.1 72 108 A W E -H 65 0D 106 -2,-0.3 30,-1.8 -7,-0.3 2,-0.3 -0.625 29.9-171.0 -75.4 146.3 25.5 -27.6 12.2 73 109 A F E -H 64 0D 3 -9,-2.8 -9,-2.5 -2,-0.3 2,-0.4 -0.944 13.7-140.6-134.0 151.3 28.3 -30.0 13.1 74 110 A Y E -H 63 0D 26 26,-0.3 8,-2.9 -2,-0.3 2,-0.6 -0.980 8.9-151.6-119.3 131.0 31.9 -30.1 12.0 75 111 A L E -HI 62 81D 0 -13,-2.8 -13,-1.4 -2,-0.4 -14,-0.5 -0.878 18.1-141.9-105.0 121.6 33.7 -33.4 11.3 76 112 A K > - 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0 0 63 1,-0.4 2,-0.3 43,-0.1 -1,-0.1 0.356 67.7 -0.0-142.3 -12.8 1.5 4.2 6.3 298 334 A N S > S- 0 0 59 51,-0.1 4,-1.8 52,-0.1 -1,-0.4 -0.923 88.6 -75.7-167.9-179.1 -1.5 5.7 4.4 299 335 A E H > S+ 0 0 93 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.756 123.6 59.1 -68.9 -27.8 -4.8 7.4 4.9 300 336 A T H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 108.9 45.3 -62.7 -45.2 -6.6 4.2 6.1 301 337 A D H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.862 110.3 53.7 -64.4 -40.6 -4.1 4.1 8.9 302 338 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.837 109.5 48.1 -64.9 -36.5 -4.5 7.8 9.7 303 339 A E H X S+ 0 0 65 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.871 110.5 51.6 -69.9 -39.7 -8.3 7.3 10.0 304 340 A N H X S+ 0 0 81 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.786 107.3 54.0 -65.7 -31.5 -7.8 4.3 12.2 305 341 A D H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.918 110.9 44.8 -67.7 -47.5 -5.4 6.4 14.5 306 342 A A H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.928 112.0 52.0 -62.7 -48.3 -8.1 9.1 14.9 307 343 A K H X S+ 0 0 103 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.912 112.1 46.7 -53.6 -46.2 -10.8 6.5 15.5 308 344 A Q H X S+ 0 0 23 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.877 111.6 51.4 -62.4 -41.8 -8.6 4.9 18.2 309 345 A T H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.951 110.4 48.1 -60.3 -51.7 -7.9 8.3 19.7 310 346 A I H X S+ 0 0 23 -4,-3.0 4,-1.9 1,-0.2 5,-0.3 0.889 110.3 52.0 -55.5 -47.6 -11.6 9.3 19.9 311 347 A E H X S+ 0 0 126 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.5 48.2 -57.2 -44.8 -12.5 5.9 21.5 312 348 A L H X S+ 0 0 10 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.888 108.0 54.6 -65.2 -42.9 -9.9 6.4 24.2 313 349 A I H <>S+ 0 0 7 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.929 115.8 37.2 -57.0 -51.0 -10.9 10.0 25.0 314 350 A K H ><5S+ 0 0 130 -4,-1.9 3,-0.8 3,-0.2 -2,-0.2 0.901 113.5 58.9 -69.1 -42.2 -14.6 9.0 25.7 315 351 A K H 3<5S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.912 116.2 31.7 -51.9 -49.3 -13.6 5.7 27.3 316 352 A Y T 3<5S- 0 0 52 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.340 106.5-119.5 -98.1 8.1 -11.5 7.4 30.0 317 353 A N T < 5 - 0 0 132 -3,-0.8 2,-0.2 -4,-0.4 -3,-0.2 0.952 41.3-160.6 56.7 51.4 -13.5 10.6 30.4 318 354 A M < - 0 0 20 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.2 -0.460 16.3-158.9 -72.8 133.0 -10.5 12.7 29.4 319 355 A N - 0 0 107 -2,-0.2 2,-0.8 -41,-0.1 -31,-0.4 -0.933 17.3-157.1-112.5 102.8 -10.6 16.3 30.2 320 356 A L + 0 0 44 -2,-0.7 -31,-0.2 1,-0.2 4,-0.1 -0.742 32.1 160.0 -98.2 106.4 -8.0 17.9 27.9 321 357 A S S S+ 0 0 70 -33,-2.0 -32,-0.2 -2,-0.8 -1,-0.2 0.787 76.6 44.8 -85.6 -33.7 -6.4 21.2 28.8 322 358 A Y S S- 0 0 15 -34,-1.8 -32,-0.1 -62,-0.2 -34,-0.1 -0.654 103.0 -81.6-104.9 163.4 -3.5 20.7 26.4 323 359 A P - 0 0 11 0, 0.0 -33,-1.9 0, 0.0 2,-0.5 0.008 33.8-107.7 -59.8 166.3 -3.9 19.4 22.8 324 360 A I E -cd 290 366L 3 41,-2.4 43,-2.8 -35,-0.2 2,-0.5 -0.867 44.6-146.4 -85.3 125.8 -4.2 15.9 21.3 325 361 A Y E -cd 291 367L 0 -35,-3.0 -33,-2.5 -2,-0.5 2,-0.9 -0.880 16.8-151.3-110.4 128.6 -0.9 15.2 19.7 326 362 A Y E -cd 292 368L 0 41,-2.9 43,-2.7 -2,-0.5 2,-1.0 -0.870 22.3-148.2 -89.6 103.7 -0.1 13.2 16.6 327 363 A D E -cd 293 369L 8 -35,-2.2 -33,-2.2 -2,-0.9 2,-0.6 -0.686 18.6-171.8 -78.7 100.1 3.4 11.9 17.4 328 364 A V + 0 0 1 41,-3.0 43,-0.4 -2,-1.0 2,-0.2 -0.862 18.1 145.5-105.5 113.2 5.1 11.7 14.0 329 365 A E - 0 0 48 -2,-0.6 2,-1.9 -35,-0.4 11,-0.0 -0.789 63.1 -81.9-135.6 175.4 8.5 10.1 13.8 330 366 A N - 0 0 85 -2,-0.2 12,-0.0 10,-0.1 -2,-0.0 -0.583 64.3-167.2 -81.3 77.2 10.7 7.9 11.5 331 367 A W + 0 0 1 -2,-1.9 9,-2.9 -37,-0.2 2,-0.3 -0.294 18.7 174.7 -75.8 153.0 8.9 4.7 12.6 332 368 A E B -H 339 0M 82 7,-0.3 7,-0.2 -2,-0.0 5,-0.0 -0.957 32.7-112.1-152.8 137.2 10.1 1.1 12.0 333 369 A Y > - 0 0 65 5,-2.5 3,-1.2 -2,-0.3 -38,-0.0 -0.332 29.7-116.8 -67.2 156.6 8.6 -2.2 13.3 334 370 A V T 3 S+ 0 0 147 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.876 119.9 47.7 -65.1 -39.6 10.8 -4.2 15.7 335 371 A N T 3 S- 0 0 125 1,-0.0 -1,-0.3 3,-0.0 -2,-0.1 0.417 111.4-129.1 -79.1 1.6 11.1 -7.1 13.3 336 372 A K < + 0 0 142 -3,-1.2 -2,-0.1 2,-0.2 -1,-0.0 0.552 69.7 129.7 64.6 13.6 12.0 -4.4 10.7 337 373 A S S S+ 0 0 82 1,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.843 74.4 24.8 -64.8 -36.9 9.4 -5.6 8.1 338 374 A K + 0 0 93 0, 0.0 -5,-2.5 0, 0.0 2,-0.3 -0.934 64.3 178.0-130.3 155.3 7.9 -2.1 7.7 339 375 A R B -H 332 0M 173 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.974 40.3 -73.0-151.7 157.6 9.1 1.5 8.1 340 376 A A - 0 0 9 -9,-2.9 -43,-0.1 -2,-0.3 -10,-0.1 -0.083 53.0 -98.0 -53.3 143.3 7.7 5.0 7.6 341 377 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.277 27.2-151.1 -49.2 146.6 7.2 6.5 4.1 342 378 A S + 0 0 89 -3,-0.1 2,-0.1 -12,-0.0 -2,-0.1 0.756 64.0 93.3 -95.4 -29.4 10.1 8.8 3.1 343 379 A D S > S- 0 0 72 1,-0.1 4,-1.0 36,-0.0 3,-0.3 -0.379 70.1-137.3 -76.9 142.7 8.3 11.2 0.8 344 380 A T H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.872 100.3 59.9 -59.3 -42.7 6.7 14.5 2.0 345 381 A D H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.831 100.8 52.5 -60.8 -39.5 3.5 14.0 0.0 346 382 A T H > S+ 0 0 34 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.851 111.9 46.6 -65.6 -36.9 2.5 10.7 1.7 347 383 A W H X S+ 0 0 2 -4,-1.0 4,-2.7 -3,-0.3 5,-0.3 0.803 106.3 57.5 -76.9 -29.6 2.8 12.3 5.2 348 384 A V H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.929 112.0 44.1 -59.0 -44.0 0.9 15.4 4.0 349 385 A K H X S+ 0 0 91 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.916 115.3 46.5 -65.9 -49.3 -1.9 13.0 3.2 350 386 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.951 116.9 42.4 -58.5 -55.5 -1.6 11.0 6.5 351 387 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.912 114.8 51.2 -61.0 -46.0 -1.4 14.0 8.8 352 388 A N H X S+ 0 0 40 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.894 110.8 49.4 -56.8 -43.7 -4.2 15.8 6.8 353 389 A K H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.963 111.0 47.7 -61.5 -54.5 -6.4 12.7 7.1 354 390 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.925 115.1 46.7 -51.1 -51.2 -5.9 12.3 10.9 355 391 A M H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.879 112.2 49.9 -57.0 -46.8 -6.6 16.0 11.4 356 392 A D H X S+ 0 0 85 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.910 111.5 47.9 -62.4 -46.5 -9.7 15.9 9.2 357 393 A T H X S+ 0 0 9 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.931 113.7 47.4 -59.1 -49.4 -11.2 12.9 11.0 358 394 A M H <>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 3,-0.4 0.921 112.2 51.5 -56.0 -47.4 -10.5 14.4 14.4 359 395 A K H ><5S+ 0 0 113 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.882 108.8 48.3 -57.5 -46.0 -12.1 17.7 13.2 360 396 A Q H 3<5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.702 107.5 57.5 -73.9 -17.2 -15.3 16.1 12.0 361 397 A A T 3<5S- 0 0 46 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.475 128.4 -97.9 -87.0 -5.5 -15.6 14.2 15.3 362 398 A G T < 5S+ 0 0 64 -3,-1.2 2,-0.7 -4,-0.3 -3,-0.2 0.466 86.8 121.7 103.5 5.9 -15.6 17.5 17.1 363 399 A Y < + 0 0 47 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.882 17.0 153.4-106.8 110.4 -11.9 17.8 18.1 364 400 A Q + 0 0 140 -2,-0.7 2,-1.8 1,-0.1 -1,-0.1 0.569 55.7 84.5-110.3 -13.8 -10.0 20.8 16.9 365 401 A N + 0 0 76 -43,-0.1 -41,-2.4 -45,-0.0 2,-0.4 -0.448 66.9 130.1 -84.0 63.0 -7.3 21.2 19.5 366 402 A V E +d 324 0L 7 -2,-1.8 2,-0.3 -43,-0.2 -41,-0.2 -0.969 29.4 166.8-123.8 132.5 -5.2 18.7 17.6 367 403 A Y E -d 325 0L 52 -43,-2.8 -41,-2.9 -2,-0.4 2,-0.4 -0.844 31.8-107.5-140.8 172.1 -1.6 19.2 16.7 368 404 A V E -de 326 388L 0 19,-3.7 21,-1.0 -2,-0.3 22,-0.9 -0.874 22.5-162.8-107.3 137.3 1.6 17.4 15.4 369 405 A Y E +de 327 390L 13 -43,-2.7 -41,-3.0 -2,-0.4 2,-0.3 -0.967 26.0 138.2-113.4 138.1 4.6 16.6 17.4 370 406 A S E - 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