==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-APR-11 3RDR . COMPND 2 MOLECULE: N-ACETYLMURAMOYL-L-ALANINE AMIDASE XLYA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR L.Y.LOW,R.C.LIDDINGTON . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7151.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 12 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 21.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 0 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 5 A V 0 0 67 0, 0.0 2,-0.3 0, 0.0 62,-0.1 0.000 360.0 360.0 360.0 141.4 6.3 -31.3 10.0 2 6 A N - 0 0 110 60,-0.4 62,-2.1 1,-0.0 2,-0.5 -0.526 360.0-154.9 -76.2 133.1 6.0 -32.4 6.3 3 7 A I E -a 64 0A 57 -2,-0.3 2,-0.6 60,-0.2 62,-0.2 -0.941 5.5-163.1-111.8 118.5 2.5 -33.4 5.1 4 8 A I E -a 65 0A 45 60,-3.5 62,-2.5 -2,-0.5 2,-0.5 -0.888 9.7-146.3-104.3 121.8 2.3 -35.8 2.1 5 9 A Q E +a 66 0A 132 -2,-0.6 62,-0.2 60,-0.2 60,-0.0 -0.749 32.5 153.5 -89.7 126.4 -1.0 -36.0 0.3 6 10 A D - 0 0 50 60,-2.5 -1,-0.1 -2,-0.5 -2,-0.0 -0.533 30.5-157.4-151.4 71.9 -1.8 -39.5 -1.1 7 11 A F - 0 0 63 1,-0.1 61,-0.2 -2,-0.0 60,-0.1 -0.078 21.2-110.2 -59.1 149.6 -5.6 -39.6 -1.4 8 12 A I - 0 0 1 59,-2.4 -1,-0.1 1,-0.1 39,-0.1 -0.564 55.2 -91.3 -72.5 140.1 -7.8 -42.8 -1.4 9 13 A P > - 0 0 69 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 -0.277 44.5 -99.3 -61.7 141.8 -9.2 -43.0 -4.9 10 14 A V T 3 S+ 0 0 119 1,-0.3 3,-0.1 -3,-0.1 7,-0.0 -0.267 108.7 25.6 -55.6 139.1 -12.6 -41.4 -5.6 11 15 A G T 3 S+ 0 0 67 4,-0.6 -1,-0.3 1,-0.3 -3,-0.0 0.343 86.6 139.6 87.6 -8.5 -15.4 -43.9 -5.5 12 16 A A X - 0 0 27 -3,-1.9 3,-1.9 1,-0.1 -1,-0.3 -0.290 66.9-111.7 -67.2 156.0 -13.6 -46.4 -3.2 13 17 A N T 3 S+ 0 0 117 36,-0.4 -1,-0.1 1,-0.3 39,-0.1 0.824 118.6 47.5 -58.7 -32.7 -15.7 -48.1 -0.5 14 18 A N T 3 S+ 0 0 1 37,-0.2 61,-0.3 1,-0.2 -1,-0.3 0.141 99.6 69.9 -98.4 21.9 -13.8 -46.2 2.2 15 19 A R < + 0 0 31 -3,-1.9 -4,-0.6 1,-0.1 -1,-0.2 -0.586 56.2 168.9-131.0 68.7 -14.1 -42.8 0.5 16 20 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 58,-0.1 0.803 31.0-149.2 -50.9 -34.2 -17.8 -42.1 0.9 17 21 A G + 0 0 36 56,-0.6 2,-0.3 1,-0.2 57,-0.1 0.759 30.9 163.7 70.3 28.2 -17.2 -38.5 -0.2 18 22 A Y - 0 0 111 55,-0.1 55,-1.4 1,-0.1 -1,-0.2 -0.609 47.5-102.8 -78.9 139.4 -20.0 -36.7 1.8 19 23 A A B -F 72 0B 89 -2,-0.3 2,-0.4 53,-0.2 53,-0.3 -0.338 46.3-168.0 -59.6 138.4 -19.4 -33.0 1.9 20 24 A M - 0 0 12 51,-2.2 67,-0.1 53,-0.1 -1,-0.0 -0.996 30.9-171.5-139.6 137.9 -18.1 -31.9 5.3 21 25 A T - 0 0 120 -2,-0.4 2,-0.1 65,-0.4 50,-0.1 -0.907 39.3-135.0-120.8 91.4 -17.5 -28.7 7.2 22 26 A P + 0 0 11 0, 0.0 66,-0.2 0, 0.0 65,-0.1 -0.293 36.9 167.1 -57.6 124.0 -15.5 -30.0 10.2 23 27 A L + 0 0 96 64,-2.2 2,-0.3 60,-0.2 99,-0.3 0.454 68.2 40.1-110.5 -10.4 -16.5 -28.8 13.6 24 28 A Y E -b 88 0A 50 63,-1.5 65,-2.1 59,-0.2 2,-0.4 -0.882 63.6-142.5-136.4 167.5 -14.5 -31.4 15.5 25 29 A I E -bc 89 126A 0 100,-1.9 102,-2.5 -2,-0.3 2,-0.5 -0.987 20.1-157.3-133.6 117.6 -11.1 -33.2 15.4 26 30 A T E -bc 90 127A 0 63,-2.5 65,-2.8 -2,-0.4 2,-0.4 -0.877 6.0-150.5-104.1 124.9 -11.1 -36.8 16.5 27 31 A V E +bc 91 128A 0 100,-2.6 102,-1.9 -2,-0.5 2,-0.3 -0.778 17.8 174.2-100.1 135.8 -7.9 -38.5 17.7 28 32 A H E -b 92 0A 5 63,-2.7 65,-1.1 -2,-0.4 2,-0.4 -0.809 24.4-142.6-129.0 169.4 -7.1 -42.2 17.4 29 33 A N E -b 93 0A 7 -2,-0.3 110,-0.3 63,-0.2 65,-0.2 -0.995 19.7-136.5-132.8 130.1 -4.1 -44.5 18.1 30 34 A T - 0 0 25 63,-2.0 64,-0.1 -2,-0.4 3,-0.1 0.733 18.9-144.9 -61.6 -25.4 -3.5 -47.3 15.5 31 35 A A + 0 0 52 62,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.827 61.3 125.5 59.9 31.4 -2.9 -50.0 18.2 32 36 A N + 0 0 65 5,-0.1 63,-0.7 1,-0.1 -1,-0.2 -0.878 30.5 169.9-123.9 96.0 -0.3 -51.3 15.7 33 37 A T + 0 0 85 -2,-0.5 64,-1.6 63,-0.2 -1,-0.1 0.484 34.7 129.3 -85.2 -3.2 3.1 -51.7 17.4 34 38 A A S > S- 0 0 50 62,-0.2 3,-2.2 1,-0.1 64,-0.2 -0.212 70.9-102.4 -56.8 137.6 4.6 -53.7 14.5 35 39 A V T 3 S+ 0 0 111 1,-0.3 -1,-0.1 61,-0.2 -2,-0.1 -0.384 110.1 24.0 -59.1 131.6 7.9 -52.5 13.1 36 40 A G T 3 S+ 0 0 33 1,-0.1 2,-2.1 -3,-0.1 -1,-0.3 0.348 79.5 127.3 93.5 -7.2 7.1 -50.6 9.8 37 41 A A < + 0 0 10 -3,-2.2 59,-0.5 -5,-0.1 58,-0.4 -0.395 42.5 137.9 -82.3 64.0 3.5 -49.7 10.6 38 42 A D S > S- 0 0 44 -2,-2.1 4,-2.0 56,-0.1 5,-0.2 -0.217 70.9 -81.8 -98.8-171.3 4.1 -46.0 9.9 39 43 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.896 126.7 49.6 -60.8 -45.4 2.2 -43.2 8.1 40 44 A A H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.898 109.9 52.6 -62.3 -40.0 3.3 -44.2 4.6 41 45 A A H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 109.7 47.7 -63.4 -41.9 2.4 -47.8 5.3 42 46 A H H X S+ 0 0 19 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.876 107.0 57.7 -66.5 -35.6 -1.1 -46.8 6.4 43 47 A A H X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.904 110.0 44.3 -59.3 -41.3 -1.4 -44.6 3.3 44 48 A R H >< S+ 0 0 171 -4,-1.8 3,-0.9 2,-0.2 -2,-0.2 0.916 112.5 51.7 -69.4 -44.8 -0.8 -47.7 1.1 45 49 A Y H >< S+ 0 0 114 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.924 103.3 57.7 -58.3 -47.1 -3.2 -49.9 3.2 46 50 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.705 98.8 61.3 -59.5 -20.3 -6.1 -47.4 2.9 47 51 A K T << S+ 0 0 81 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.455 74.1 115.3 -88.0 0.7 -6.0 -47.5 -0.9 48 52 A N S X S- 0 0 77 -3,-2.1 3,-2.1 -4,-0.2 -3,-0.0 -0.570 73.1-128.8 -71.3 128.2 -6.7 -51.3 -0.9 49 53 A P T 3 S+ 0 0 104 0, 0.0 -36,-0.4 0, 0.0 -1,-0.1 0.672 103.7 55.5 -50.3 -23.9 -10.2 -51.8 -2.6 50 54 A D T 3 S+ 0 0 124 -37,-0.1 2,-0.1 -38,-0.1 -4,-0.1 0.506 79.4 109.0 -93.3 -3.9 -11.5 -53.9 0.2 51 55 A T < - 0 0 3 -3,-2.1 -37,-0.2 -6,-0.2 -38,-0.1 -0.448 39.8-178.3 -72.5 145.6 -10.9 -51.5 3.1 52 56 A T + 0 0 95 -2,-0.1 2,-0.3 -38,-0.1 -1,-0.1 0.555 57.4 76.7-118.8 -16.7 -14.0 -49.9 4.7 53 57 A T + 0 0 63 21,-0.1 2,-0.3 23,-0.0 23,-0.2 -0.674 55.1 168.2 -97.1 152.4 -12.5 -47.6 7.4 54 58 A S + 0 0 0 21,-2.4 2,-0.3 -2,-0.3 21,-0.1 -0.978 12.7 176.4-162.9 149.8 -10.9 -44.3 6.6 55 59 A W - 0 0 15 -2,-0.3 12,-0.3 19,-0.2 36,-0.1 -0.884 35.2-112.9-145.3 174.0 -9.6 -41.1 8.3 56 60 A H S S+ 0 0 0 34,-0.9 11,-2.1 -2,-0.3 12,-0.8 0.897 87.2 24.9 -83.9 -43.7 -7.9 -37.9 7.2 57 61 A F E -De 66 91A 7 33,-2.3 35,-3.4 9,-0.2 2,-0.5 -0.978 50.5-165.2-132.0 138.4 -4.4 -37.9 8.7 58 62 A T E -De 65 92A 0 7,-2.3 7,-2.2 -2,-0.4 2,-0.4 -0.983 18.8-163.1-117.8 128.4 -1.9 -40.5 9.9 59 63 A V E +De 64 93A 0 33,-3.2 35,-2.8 -2,-0.5 2,-0.2 -0.949 14.7 166.7-118.3 128.0 1.0 -39.2 12.0 60 64 A D - 0 0 3 3,-2.3 47,-0.1 -2,-0.4 -22,-0.1 -0.612 55.2 -84.8-121.9-172.5 4.2 -40.9 12.8 61 65 A D S S+ 0 0 33 -2,-0.2 3,-0.1 1,-0.1 40,-0.0 0.598 124.0 33.9 -72.7 -8.7 7.5 -39.6 14.3 62 66 A T S S- 0 0 98 1,-0.3 -60,-0.4 -61,-0.0 2,-0.2 0.801 121.4 -10.1-111.8 -47.5 8.8 -38.5 10.9 63 67 A E - 0 0 51 -62,-0.1 -3,-2.3 -59,-0.0 2,-0.4 -0.841 53.3-116.8-146.7-177.1 5.9 -37.3 8.7 64 68 A I E -aD 3 59A 0 -62,-2.1 -60,-3.5 -2,-0.2 2,-0.4 -0.991 18.4-160.1-131.3 134.6 2.2 -37.0 8.1 65 69 A Y E -aD 4 58A 39 -7,-2.2 -7,-2.3 -2,-0.4 2,-0.5 -0.936 7.4-150.1-115.6 138.8 0.1 -38.5 5.3 66 70 A Q E +aD 5 57A 14 -62,-2.5 -60,-2.5 -2,-0.4 -9,-0.2 -0.945 16.0 176.3-111.0 125.1 -3.3 -37.2 4.3 67 71 A H + 0 0 0 -11,-2.1 -59,-2.4 -2,-0.5 -11,-0.1 0.580 67.1 33.3-101.9 -14.6 -5.7 -39.8 2.8 68 72 A L S S- 0 0 0 -12,-0.8 -1,-0.2 -61,-0.2 2,-0.1 -0.985 82.9-107.9-143.4 149.6 -8.8 -37.6 2.4 69 73 A P > - 0 0 14 0, 0.0 3,-1.6 0, 0.0 -2,-0.0 -0.500 35.2-118.5 -74.7 150.3 -9.5 -33.9 1.5 70 74 A L T 3 S+ 0 0 33 1,-0.3 -14,-0.0 -2,-0.1 0, 0.0 0.503 109.6 65.4 -70.4 -2.2 -10.7 -31.9 4.5 71 75 A N T 3 S+ 0 0 103 -50,-0.1 -51,-2.2 2,-0.1 2,-0.3 0.263 97.1 67.8-100.6 12.1 -14.1 -31.2 2.7 72 76 A E B < S-F 19 0B 32 -3,-1.6 -53,-0.2 -53,-0.3 2,-0.1 -0.925 79.0-122.6-128.5 153.3 -15.0 -34.9 2.8 73 77 A N - 0 0 0 -55,-1.4 -56,-0.6 -2,-0.3 2,-0.3 -0.404 17.7-151.6 -90.5 169.4 -15.9 -37.2 5.7 74 78 A G - 0 0 0 11,-0.9 2,-0.8 14,-0.3 3,-0.3 -0.828 23.2-113.8-131.6 169.4 -14.3 -40.5 6.6 75 79 A W S S+ 0 0 72 -61,-0.3 -21,-2.4 -2,-0.3 10,-0.1 -0.886 77.3 100.9-107.6 99.0 -15.6 -43.7 8.3 76 80 A H + 0 0 15 -2,-0.8 -1,-0.2 -23,-0.2 9,-0.1 0.532 57.5 69.2-151.1 -23.0 -13.8 -43.8 11.6 77 81 A A S S- 0 0 0 -3,-0.3 -2,-0.1 3,-0.1 7,-0.1 0.655 83.7-135.7 -82.2 -18.5 -15.8 -42.6 14.6 78 82 A G S S+ 0 0 57 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.736 72.2 112.1 70.9 23.8 -18.3 -45.4 14.7 79 83 A D S > S- 0 0 38 1,-0.3 3,-2.0 3,-0.1 2,-0.2 -0.067 72.7-131.6-118.5 34.5 -21.3 -43.2 15.2 80 84 A G T 3 S- 0 0 46 1,-0.3 -1,-0.3 5,-0.1 -3,-0.1 -0.357 81.2 -11.6 58.4-118.7 -23.1 -43.7 11.9 81 85 A N T 3 S+ 0 0 110 -2,-0.2 -1,-0.3 4,-0.1 0, 0.0 0.090 107.3 122.1-100.9 21.4 -24.1 -40.4 10.5 82 86 A G S <> S- 0 0 27 -3,-2.0 4,-2.8 1,-0.1 5,-0.3 -0.101 84.0 -86.3 -73.5-179.9 -23.3 -38.5 13.7 83 87 A S H > S+ 0 0 49 3,-0.2 4,-1.8 1,-0.2 -60,-0.2 0.714 120.9 66.6 -63.1 -24.1 -20.8 -35.7 14.0 84 88 A G H 4 S+ 0 0 0 2,-0.2 4,-0.4 1,-0.1 -1,-0.2 0.983 117.2 23.0 -61.6 -56.1 -17.9 -38.0 14.6 85 89 A N H 4 S+ 0 0 8 -3,-0.2 -11,-0.9 1,-0.2 3,-0.3 0.911 135.0 36.8 -76.3 -42.8 -18.0 -39.4 11.1 86 90 A R H < S+ 0 0 77 -4,-2.8 -65,-0.4 1,-0.2 -3,-0.2 0.514 127.3 28.5 -92.0 -5.6 -19.9 -36.5 9.3 87 91 A A S < S+ 0 0 13 -4,-1.8 -64,-2.2 -5,-0.3 -63,-1.5 0.071 102.5 73.9-144.7 31.8 -18.4 -33.5 11.1 88 92 A S E -b 24 0A 0 -4,-0.4 2,-0.6 -3,-0.3 -14,-0.3 -0.992 68.3-121.4-146.7 154.9 -14.9 -34.2 12.3 89 93 A I E -b 25 0A 0 -65,-2.1 -63,-2.5 -2,-0.3 2,-0.4 -0.849 32.8-140.7 -94.0 121.7 -11.3 -34.6 11.0 90 94 A G E -b 26 0A 0 -2,-0.6 -33,-2.3 -65,-0.2 -34,-0.9 -0.732 18.8-172.6 -89.3 130.9 -10.0 -38.0 11.9 91 95 A I E -be 27 57A 0 -65,-2.8 -63,-2.7 -2,-0.4 2,-0.4 -0.982 6.8-161.3-125.0 129.9 -6.3 -38.3 13.0 92 96 A E E -be 28 58A 22 -35,-3.4 -33,-3.2 -2,-0.4 2,-0.5 -0.904 5.3-155.3-110.0 137.2 -4.4 -41.5 13.6 93 97 A I E -be 29 59A 0 -65,-1.1 -63,-2.0 -2,-0.4 -62,-0.3 -0.958 21.1-128.5-113.0 124.1 -1.2 -41.6 15.6 94 98 A C - 0 0 1 -35,-2.8 -56,-0.1 -2,-0.5 10,-0.1 -0.268 19.1-169.4 -72.4 156.3 1.2 -44.5 14.9 95 99 A E + 0 0 17 -63,-0.7 6,-0.1 -58,-0.4 -57,-0.1 0.072 30.1 155.8-128.2 17.3 2.8 -46.9 17.5 96 100 A N > - 0 0 9 -59,-0.5 3,-2.1 1,-0.1 -61,-0.2 -0.187 48.9-127.2 -53.9 137.0 5.3 -48.6 15.2 97 101 A A T 3 S+ 0 0 76 -64,-1.6 -62,-0.1 1,-0.3 -1,-0.1 0.829 108.4 56.1 -53.5 -38.1 8.3 -50.1 17.0 98 102 A D T 3 S+ 0 0 92 -64,-0.2 2,-0.3 -65,-0.1 -1,-0.3 0.313 102.4 75.6 -81.0 11.5 10.8 -48.3 14.8 99 103 A G S < S- 0 0 21 -3,-2.1 2,-0.7 -4,-0.1 3,-0.1 -0.831 82.2-116.6-123.1 162.0 9.2 -44.9 15.7 100 104 A D > - 0 0 77 -2,-0.3 4,-1.4 1,-0.2 5,-0.2 -0.851 18.6-163.7 -97.8 109.8 9.2 -42.5 18.6 101 105 A F H > S+ 0 0 39 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.876 89.6 56.2 -60.7 -38.4 5.7 -42.3 20.1 102 106 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 111.1 43.4 -60.0 -42.6 6.6 -39.1 22.0 103 107 A K H > S+ 0 0 116 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.690 111.6 53.9 -76.7 -21.0 7.7 -37.4 18.8 104 108 A A H X S+ 0 0 2 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.850 109.2 49.4 -78.5 -36.1 4.7 -38.7 16.9 105 109 A T H X S+ 0 0 20 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 109.5 51.3 -67.3 -41.3 2.5 -37.2 19.6 106 110 A A H X S+ 0 0 47 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.885 109.9 49.7 -63.3 -40.2 4.3 -33.9 19.3 107 111 A N H X S+ 0 0 21 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.859 110.3 50.9 -66.7 -35.2 3.8 -33.9 15.5 108 112 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.856 107.8 52.0 -70.1 -36.8 0.1 -34.6 16.1 109 113 A Q H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.879 109.6 50.2 -67.7 -36.7 -0.3 -31.7 18.5 110 114 A W H X S+ 0 0 91 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.942 111.8 47.7 -64.8 -47.0 1.3 -29.4 15.9 111 115 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.927 111.8 49.9 -58.5 -47.4 -1.1 -30.7 13.3 112 116 A I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.891 109.0 51.3 -61.1 -41.1 -4.1 -30.3 15.6 113 117 A K H X S+ 0 0 98 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.921 112.0 47.7 -61.5 -44.0 -3.1 -26.7 16.5 114 118 A T H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.891 112.3 49.0 -63.3 -42.3 -2.8 -25.8 12.8 115 119 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.890 107.2 55.7 -65.2 -41.8 -6.2 -27.4 12.0 116 120 A M H <>S+ 0 0 33 -4,-2.5 5,-2.1 1,-0.2 4,-0.4 0.926 112.9 41.3 -56.6 -47.8 -7.8 -25.6 14.9 117 121 A A H <5S+ 0 0 85 -4,-1.8 3,-0.3 3,-0.2 -1,-0.2 0.883 116.8 47.4 -69.4 -40.7 -6.7 -22.2 13.5 118 122 A E H <5S+ 0 0 131 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 124.0 30.9 -75.5 -23.3 -7.4 -23.0 9.9 119 123 A H T <5S- 0 0 61 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.212 106.4-117.7-119.0 12.6 -10.9 -24.4 10.4 120 124 A N T 5 + 0 0 155 -4,-0.4 2,-0.5 -3,-0.3 -3,-0.2 0.925 58.0 157.2 49.6 53.8 -11.9 -22.3 13.4 121 125 A I < - 0 0 8 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.933 35.1-131.8-111.2 129.2 -12.2 -25.4 15.7 122 126 A S > - 0 0 61 -2,-0.5 3,-1.2 -99,-0.3 -5,-0.0 -0.358 19.2-115.3 -79.7 159.3 -11.9 -24.9 19.5 123 127 A L G > S+ 0 0 71 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.852 116.0 62.3 -59.2 -37.0 -9.7 -26.9 21.8 124 128 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 -100,-0.0 -100,-0.0 0.785 99.5 56.4 -60.5 -26.4 -12.9 -28.1 23.5 125 129 A N G < S+ 0 0 47 -3,-1.2 -100,-1.9 2,-0.1 2,-0.9 0.275 78.5 100.6 -91.4 11.2 -13.9 -29.7 20.2 126 130 A V E < +c 25 0A 0 -3,-2.0 -100,-0.2 -102,-0.2 23,-0.0 -0.877 60.6 172.6 -94.5 107.6 -10.7 -31.8 20.0 127 131 A V E -c 26 0A 11 -102,-2.5 -100,-2.6 -2,-0.9 2,-0.2 -0.796 34.3-113.4-122.3 162.7 -12.0 -35.1 21.1 128 132 A P E >> -c 27 0A 16 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.581 35.6-111.5 -88.2 154.0 -11.0 -38.8 21.5 129 133 A H H >> S+ 0 0 8 -102,-1.9 3,-1.4 1,-0.3 4,-1.4 0.885 117.2 68.4 -49.2 -39.1 -12.6 -41.5 19.4 130 134 A K H 3> S+ 0 0 80 7,-2.1 4,-3.8 1,-0.3 -1,-0.3 0.825 85.6 67.4 -50.6 -38.1 -14.1 -42.7 22.7 131 135 A Y H <4 S+ 0 0 149 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.870 108.2 37.4 -51.6 -41.7 -16.3 -39.5 22.9 132 136 A W H << S+ 0 0 43 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.749 138.2 11.3 -84.7 -27.1 -18.3 -40.7 19.9 133 137 A S H < S- 0 0 50 -4,-1.4 -3,-0.2 2,-0.2 -2,-0.2 0.493 88.5-118.8-132.7 -5.8 -18.4 -44.4 20.5 134 138 A G < + 0 0 48 -4,-3.8 -4,-0.2 -5,-0.3 -3,-0.1 0.520 64.1 147.9 76.6 2.2 -17.2 -45.2 24.0 135 139 A K - 0 0 122 -6,-0.3 2,-2.2 -5,-0.1 -1,-0.3 -0.412 62.3-110.0 -70.8 147.8 -14.5 -47.3 22.4 136 140 A E + 0 0 121 -3,-0.1 3,-0.4 -2,-0.1 -1,-0.1 -0.444 65.6 154.8 -80.4 69.6 -11.1 -47.4 24.3 137 141 A C + 0 0 14 -2,-2.2 -7,-2.1 1,-0.3 -3,-0.1 -0.983 51.6 39.7-148.2 138.9 -9.2 -45.3 21.7 138 142 A P S >> S- 0 0 0 0, 0.0 3,-2.2 0, 0.0 4,-1.8 0.122 79.1-175.8 -73.0 107.9 -6.8 -43.4 21.6 139 143 A R T 34 S+ 0 0 119 -3,-0.4 4,-0.3 1,-0.3 -2,-0.1 0.724 77.5 45.1 -48.4 -32.2 -5.6 -46.2 23.9 140 144 A K T 34 S+ 0 0 103 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.479 119.5 39.6 -94.4 -2.7 -2.3 -44.6 24.8 141 145 A L T X4 S+ 0 0 8 -3,-2.2 3,-0.6 2,-0.1 7,-0.3 0.528 90.4 85.8-119.9 -12.4 -3.7 -41.1 25.4 142 146 A L G >< S+ 0 0 32 -4,-1.8 3,-1.8 1,-0.2 4,-0.3 0.937 88.6 49.8 -58.1 -53.5 -6.9 -41.7 27.2 143 147 A D G 3 S+ 0 0 164 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.693 126.8 29.7 -61.1 -17.8 -5.5 -41.9 30.8 144 148 A T G X> S+ 0 0 77 -3,-0.6 4,-2.3 1,-0.1 3,-0.7 0.030 82.2 130.0-128.9 26.7 -3.7 -38.7 30.1 145 149 A W H <> S+ 0 0 29 -3,-1.8 4,-2.2 1,-0.3 5,-0.2 0.896 71.9 50.7 -47.8 -55.3 -6.1 -37.1 27.6 146 150 A D H 3> S+ 0 0 128 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.836 111.5 49.4 -56.8 -33.7 -6.3 -33.7 29.3 147 151 A S H <> S+ 0 0 85 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.914 106.8 54.8 -71.0 -43.3 -2.5 -33.5 29.5 148 152 A F H < S+ 0 0 10 -4,-2.3 4,-0.3 -7,-0.3 -2,-0.2 0.903 111.2 46.2 -54.8 -42.2 -2.3 -34.4 25.8 149 153 A K H >X S+ 0 0 32 -4,-2.2 3,-1.4 1,-0.2 4,-1.0 0.858 106.0 57.5 -70.3 -36.0 -4.6 -31.5 25.1 150 154 A A H 3< S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 102.7 57.9 -64.9 -25.5 -2.7 -29.1 27.3 151 155 A G T 3< S+ 0 0 40 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.616 94.7 67.1 -79.7 -11.9 0.3 -29.9 25.2 152 156 A I T <4 0 0 6 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.984 360.0 360.0 -69.9 -60.5 -1.5 -28.7 22.1 153 157 A G < 0 0 97 -4,-1.0 -1,-0.1 -40,-0.0 -2,-0.1 0.724 360.0 360.0 -23.4 360.0 -1.7 -25.0 22.9