==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JUL-05 2AE0 . COMPND 2 MOLECULE: MEMBRANE-BOUND LYTIC MUREIN TRANSGLYCOSYLASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.E.VAN STRAATEN,B.W.DIJKSTRA,W.VOLLMER,A.M.W.H.THUNNISSEN . 335 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 1 0 2 1 1 1 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 3 X S 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.7 -23.4 45.0 63.4 2 4 X K - 0 0 106 6,-0.0 8,-0.1 8,-0.0 2,-0.0 -0.649 360.0-172.7-134.0 77.6 -20.3 46.0 65.3 3 5 X P + 0 0 70 0, 0.0 5,-0.0 0, 0.0 0, 0.0 -0.343 14.3 179.3 -69.6 151.9 -17.4 43.5 64.7 4 6 X T > + 0 0 87 3,-0.1 3,-1.8 2,-0.0 321,-0.1 0.328 51.9 106.3-131.6 -2.6 -14.2 43.9 66.8 5 7 X D T 3 S+ 0 0 103 1,-0.3 277,-0.4 2,-0.1 279,-0.1 0.748 85.8 41.8 -51.5 -32.0 -12.2 40.9 65.4 6 8 X R T 3 S- 0 0 65 275,-0.1 319,-2.8 318,-0.1 -1,-0.3 0.219 131.8 -79.2-106.6 15.0 -9.9 43.2 63.4 7 9 X G S < S+ 0 0 0 -3,-1.8 -2,-0.1 1,-0.3 -3,-0.1 0.434 75.3 155.9 105.8 1.0 -9.3 46.0 66.0 8 10 X Q - 0 0 22 85,-0.1 2,-0.3 2,-0.0 -1,-0.3 -0.308 18.1-172.8 -64.1 142.0 -12.5 48.0 65.6 9 11 X Q - 0 0 45 317,-0.2 3,-0.1 82,-0.1 84,-0.1 -0.938 18.5-164.9-133.4 154.8 -13.6 50.2 68.5 10 12 X Y + 0 0 51 -2,-0.3 3,-0.3 1,-0.1 82,-0.1 -0.156 57.8 104.0-135.8 42.1 -16.8 52.1 69.1 11 13 X K + 0 0 143 1,-0.2 -1,-0.1 80,-0.1 3,-0.1 0.254 68.3 70.0-106.3 11.1 -16.1 54.5 72.0 12 14 X D S S- 0 0 39 79,-0.4 -1,-0.2 1,-0.3 14,-0.0 0.143 99.5-116.8-114.6 19.5 -15.7 57.7 70.0 13 15 X G - 0 0 45 -3,-0.3 2,-0.5 2,-0.0 -1,-0.3 -0.022 44.6 -53.2 73.3 179.4 -19.3 58.3 68.9 14 16 X K - 0 0 150 -3,-0.1 2,-0.2 78,-0.1 77,-0.2 -0.823 54.0-136.1 -97.6 130.5 -20.7 58.3 65.4 15 17 X F - 0 0 16 75,-3.0 -2,-0.0 -2,-0.5 77,-0.0 -0.594 20.4-176.1 -88.0 145.9 -19.1 60.6 62.8 16 18 X T S S+ 0 0 139 -2,-0.2 -1,-0.1 1,-0.2 3,-0.0 0.345 72.7 38.1-117.9 -0.2 -21.0 62.8 60.4 17 19 X Q S S- 0 0 95 73,-0.1 -1,-0.2 1,-0.1 69,-0.1 -0.983 86.5-107.3-149.2 154.7 -18.0 64.1 58.4 18 20 X P S S+ 0 0 65 0, 0.0 68,-2.3 0, 0.0 2,-0.4 0.825 106.5 25.6 -51.7 -39.8 -14.6 62.8 57.2 19 21 X F E -A 85 0A 54 66,-0.2 2,-0.4 67,-0.1 66,-0.2 -0.995 69.1-169.1-131.7 134.3 -12.7 64.7 59.8 20 22 X S E -A 84 0A 29 64,-2.3 64,-2.4 -2,-0.4 2,-0.3 -0.973 21.8-128.5-130.4 124.1 -13.8 65.9 63.2 21 23 X L E -A 83 0A 85 -2,-0.4 2,-0.3 62,-0.3 62,-0.2 -0.483 29.1-165.8 -67.5 124.3 -12.0 68.4 65.6 22 24 X V E -A 82 0A 32 60,-2.3 60,-0.6 -2,-0.3 -1,-0.0 -0.831 28.0-134.1-112.9 152.7 -11.7 66.9 69.1 23 25 X N S S- 0 0 119 1,-0.3 53,-0.2 -2,-0.3 -1,-0.1 0.895 97.1 -2.2 -67.9 -39.5 -10.8 68.7 72.3 24 26 X Q S S- 0 0 82 51,-0.1 -1,-0.3 -3,-0.1 49,-0.1 -0.953 84.5-108.4-153.5 130.5 -8.4 65.9 73.1 25 27 X P - 0 0 11 0, 0.0 2,-2.3 0, 0.0 304,-0.0 -0.317 31.4-117.6 -60.1 140.8 -7.7 62.7 71.2 26 28 X D S S+ 0 0 70 2,-0.1 2,-0.3 -14,-0.0 -15,-0.1 -0.503 81.2 108.5 -80.1 72.1 -9.1 59.5 72.9 27 29 X A - 0 0 6 -2,-2.3 2,-0.3 2,-0.1 45,-0.2 -0.938 61.8-138.3-151.1 122.7 -5.6 58.1 73.3 28 30 X V - 0 0 130 -2,-0.3 2,-0.2 44,-0.1 260,-0.1 -0.678 60.7 -0.3 -90.8 136.4 -3.8 57.8 76.6 29 31 X G S S- 0 0 27 -2,-0.3 43,-2.5 2,-0.0 44,-0.2 -0.557 91.5 -50.6 96.2-158.6 -0.1 58.6 77.0 30 32 X A - 0 0 37 41,-0.2 258,-0.2 -2,-0.2 41,-0.2 -0.850 59.2 -87.9-120.5 155.0 2.5 59.7 74.6 31 33 X P - 0 0 12 0, 0.0 3,-0.4 0, 0.0 258,-0.2 -0.316 31.8-144.5 -57.9 145.3 3.7 58.5 71.2 32 34 X I S S+ 0 0 98 256,-2.7 3,-0.2 1,-0.2 257,-0.1 0.455 86.8 61.2 -94.6 -2.0 6.3 55.8 71.5 33 35 X N > + 0 0 3 255,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.135 52.4 134.9-119.4 40.5 8.4 56.7 68.4 34 36 X A H > S+ 0 0 41 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.870 78.2 50.0 -53.5 -41.5 9.6 60.3 69.0 35 37 X G H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 112.1 46.1 -64.2 -46.5 13.1 59.4 67.9 36 38 X D H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.872 111.8 52.8 -64.0 -38.8 11.9 57.7 64.7 37 39 X F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.927 109.3 48.3 -63.1 -45.7 9.6 60.7 64.0 38 40 X A H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 111.3 50.7 -60.3 -42.5 12.4 63.2 64.4 39 41 X E H X S+ 0 0 96 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.877 109.9 51.0 -62.9 -38.2 14.5 61.0 62.0 40 42 X Q H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.909 109.7 48.7 -66.4 -42.6 11.6 61.0 59.5 41 43 X I H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.876 107.9 55.3 -64.7 -38.4 11.3 64.8 59.7 42 44 X N H X S+ 0 0 79 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.868 105.4 53.1 -62.2 -36.1 15.1 65.2 59.2 43 45 X H H X S+ 0 0 55 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.871 109.9 47.2 -66.4 -37.0 14.7 63.1 56.0 44 46 X I H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 8,-0.4 0.921 109.0 55.5 -68.4 -43.7 12.0 65.4 54.7 45 47 X R H < S+ 0 0 115 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.1 30.2 -52.0 -48.3 14.2 68.4 55.6 46 48 X N H < S+ 0 0 114 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.851 128.2 36.8 -84.2 -39.1 17.1 67.1 53.5 47 49 X S H < S+ 0 0 51 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.718 131.1 22.5 -90.0 -23.0 15.3 65.2 50.7 48 50 X S X + 0 0 16 -4,-2.5 4,-2.4 -5,-0.3 3,-0.3 -0.503 62.3 166.8-144.1 70.6 12.3 67.4 50.2 49 51 X P H > S+ 0 0 87 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.781 79.3 57.0 -56.5 -31.6 13.0 71.0 51.4 50 52 X R H > S+ 0 0 178 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.931 110.2 43.2 -66.1 -46.8 9.9 72.3 49.6 51 53 X L H > S+ 0 0 13 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.886 113.8 52.5 -65.5 -39.5 7.6 69.9 51.5 52 54 X Y H X S+ 0 0 27 -4,-2.4 4,-1.7 -8,-0.4 3,-0.4 0.931 106.7 52.1 -62.5 -45.8 9.5 70.6 54.7 53 55 X G H < S+ 0 0 43 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.841 110.1 49.3 -58.9 -36.3 9.0 74.4 54.4 54 56 X N H < S+ 0 0 114 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 122.7 30.5 -76.2 -26.4 5.3 74.0 53.9 55 57 X Q H >X S+ 0 0 52 -4,-1.4 4,-2.1 -3,-0.4 3,-1.2 0.415 86.3 105.2-112.0 -0.9 4.8 71.7 56.9 56 58 X S H 3X S+ 0 0 32 -4,-1.7 4,-3.0 1,-0.3 5,-0.3 0.801 74.3 61.3 -51.2 -36.5 7.5 73.0 59.2 57 59 X N H 3> S+ 0 0 103 -4,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.894 110.2 41.5 -59.5 -39.0 5.1 74.8 61.5 58 60 X V H <> S+ 0 0 12 -3,-1.2 4,-2.5 2,-0.2 5,-0.2 0.933 115.3 48.6 -72.9 -48.5 3.4 71.5 62.3 59 61 X Y H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.910 112.1 50.4 -58.6 -43.5 6.6 69.5 62.6 60 62 X N H X S+ 0 0 85 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.915 110.9 47.6 -60.6 -47.0 8.1 72.2 64.9 61 63 X A H X S+ 0 0 14 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.903 113.6 48.0 -61.8 -43.2 5.0 72.3 67.2 62 64 X V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.907 111.6 50.1 -64.5 -43.4 5.0 68.5 67.4 63 65 X Q H X S+ 0 0 68 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.900 111.7 48.2 -62.3 -41.0 8.7 68.4 68.2 64 66 X E H X S+ 0 0 87 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.938 112.3 49.3 -64.0 -45.9 8.2 71.0 70.9 65 67 X W H <>S+ 0 0 2 -4,-2.5 5,-2.5 1,-0.2 4,-0.4 0.907 111.2 49.8 -58.1 -46.5 5.3 69.0 72.3 66 68 X L H ><5S+ 0 0 24 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.922 109.0 50.1 -60.6 -48.7 7.3 65.8 72.3 67 69 X R H 3<5S+ 0 0 198 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 107.8 55.7 -62.1 -29.3 10.3 67.2 74.1 68 70 X A T 3<5S- 0 0 69 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.541 141.3 -71.2 -81.2 -6.5 8.1 68.7 76.7 69 71 X G T < 5 - 0 0 52 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.076 49.6-128.3 141.8 -28.6 6.6 65.2 77.5 70 72 X G < + 0 0 3 -5,-2.5 -4,-0.2 1,-0.2 2,-0.2 0.521 48.4 156.9 66.2 8.2 4.4 64.3 74.5 71 73 X D > - 0 0 56 -6,-0.2 3,-2.1 -41,-0.2 -41,-0.2 -0.463 47.6-130.9 -68.1 135.5 1.3 63.4 76.5 72 74 X T G > S+ 0 0 3 -43,-2.5 3,-0.8 1,-0.3 4,-0.2 0.722 104.5 65.1 -58.1 -22.9 -1.9 63.7 74.3 73 75 X R G 3 S+ 0 0 162 1,-0.2 -1,-0.3 -44,-0.2 3,-0.2 0.632 101.9 48.9 -75.1 -13.8 -3.5 65.8 77.1 74 76 X N G X S+ 0 0 69 -3,-2.1 3,-0.8 1,-0.1 4,-0.3 0.249 76.5 103.6-110.1 11.8 -1.0 68.6 76.6 75 77 X M G X >S+ 0 0 4 -3,-0.8 3,-1.8 1,-0.2 5,-1.6 0.843 72.9 62.2 -62.1 -37.9 -1.1 69.0 72.8 76 78 X R G > 5S+ 0 0 141 1,-0.3 3,-1.7 -4,-0.2 -1,-0.2 0.748 88.1 71.3 -62.9 -25.0 -3.2 72.2 72.9 77 79 X Q G < 5S+ 0 0 140 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 103.0 45.3 -61.6 -21.2 -0.5 74.0 74.8 78 80 X F G < 5S- 0 0 44 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.182 121.1-104.4-110.2 15.7 1.4 73.9 71.5 79 81 X G T < 5 + 0 0 39 -3,-1.7 255,-0.7 1,-0.2 2,-0.6 0.688 68.7 153.2 70.4 20.3 -1.4 75.0 69.2 80 82 X I E < - B 0 333A 4 -5,-1.6 2,-0.4 253,-0.2 -1,-0.2 -0.740 28.5-160.8 -89.2 118.3 -1.8 71.4 67.9 81 83 X D E - B 0 332A 38 251,-3.7 251,-1.9 -2,-0.6 2,-0.6 -0.788 6.4-148.8 -95.9 137.3 -5.3 70.6 66.7 82 84 X A E -AB 22 331A 5 -60,-0.6 -60,-2.3 -2,-0.4 2,-0.8 -0.924 9.4-168.7-112.3 113.4 -6.3 66.9 66.4 83 85 X W E -AB 21 330A 80 247,-2.7 247,-3.0 -2,-0.6 2,-0.3 -0.870 16.1-144.1-102.8 106.0 -8.8 66.0 63.7 84 86 X Q E -AB 20 329A 6 -64,-2.4 -64,-2.3 -2,-0.8 2,-0.3 -0.506 13.6-129.7 -73.0 132.7 -10.1 62.5 64.1 85 87 X M E -A 19 0A 0 243,-2.7 243,-0.3 -2,-0.3 -66,-0.2 -0.630 4.0-140.7 -82.8 137.4 -10.7 60.5 60.9 86 88 X E >>> - 0 0 32 -68,-2.3 6,-2.5 -2,-0.3 5,-0.7 0.727 40.3-165.0 -69.4 -21.8 -14.1 58.9 60.6 87 89 X G B 345 -i 93 0B 9 -69,-0.4 7,-0.3 5,-0.3 3,-0.2 -0.259 42.5 -38.3 73.5-158.0 -12.4 55.8 59.0 88 90 X A T 345S+ 0 0 65 5,-2.5 -1,-0.2 1,-0.2 6,-0.1 0.648 138.3 32.1 -80.7 -18.6 -14.1 53.0 57.0 89 91 X D T <45S- 0 0 51 -3,-0.5 -1,-0.2 4,-0.4 -2,-0.2 0.259 105.3-110.4-124.6 11.7 -17.3 52.7 59.1 90 92 X N T <5S+ 0 0 66 -4,-0.5 -75,-3.0 -3,-0.2 -3,-0.2 0.700 101.4 94.3 65.1 20.2 -17.9 56.3 60.4 91 93 X Y S -P 114 0E 84 3,-1.0 3,-2.6 -2,-0.6 -4,-0.1 -0.993 54.7 -36.5-145.1 146.1 22.1 24.7 46.6 112 114 X G T 3 S- 0 0 69 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.107 129.7 -4.2 43.5-117.9 19.6 23.4 49.1 113 115 X E T 3 S+ 0 0 151 1,-0.1 2,-1.3 2,-0.0 -1,-0.3 0.588 113.2 94.8 -80.2 -12.3 16.5 25.6 49.2 114 116 X F B < +P 111 0E 26 -3,-2.6 -3,-1.0 1,-0.2 35,-0.3 -0.668 41.6 123.1 -85.5 91.6 18.0 28.1 46.7 115 117 X Q + 0 0 68 -2,-1.3 -1,-0.2 33,-0.9 34,-0.2 0.216 39.5 96.4-134.2 13.1 16.6 26.8 43.4 116 118 X Y E -O 148 0D 49 32,-2.1 32,-2.9 -3,-0.1 34,-0.2 -0.846 62.2-146.8-116.7 98.4 14.7 29.7 42.0 117 119 X P E -O 147 0D 24 0, 0.0 2,-0.5 0, 0.0 30,-0.2 -0.224 6.1-156.0 -63.8 144.8 16.6 31.8 39.4 118 120 X I E -O 146 0D 6 28,-2.2 27,-3.6 115,-0.0 28,-1.2 -0.988 26.0-145.4-118.9 127.9 16.2 35.6 39.0 119 121 X Y E -O 144 0D 12 -2,-0.5 115,-2.8 113,-0.4 25,-0.2 -0.677 14.7-146.2-108.0 154.3 17.3 36.6 35.5 120 122 X R B -k 234 0C 92 23,-2.8 115,-0.2 -2,-0.3 23,-0.1 -0.471 59.0 -60.6 -96.2 176.3 19.0 39.5 33.7 121 123 X M - 0 0 64 113,-0.5 -1,-0.1 -2,-0.2 3,-0.1 -0.443 54.9-163.6 -66.5 119.7 18.0 40.5 30.1 122 124 X P - 0 0 3 0, 0.0 5,-0.1 0, 0.0 111,-0.0 -0.414 37.8 -72.0 -90.9 174.1 18.5 37.7 27.6 123 125 X P >> - 0 0 67 0, 0.0 4,-1.5 0, 0.0 3,-0.8 -0.228 54.3 -95.3 -65.1 159.9 18.6 38.3 23.8 124 126 X K T 34 S+ 0 0 160 1,-0.2 4,-0.4 2,-0.2 59,-0.1 0.779 123.5 57.8 -44.5 -38.2 15.3 39.0 21.9 125 127 X R T >4 S+ 0 0 201 1,-0.2 3,-1.3 2,-0.2 4,-0.3 0.937 107.1 45.9 -61.2 -49.3 14.8 35.4 21.0 126 128 X G G X4 S+ 0 0 14 -3,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.783 101.5 68.2 -64.5 -28.5 14.8 34.2 24.6 127 129 X R G 3< S+ 0 0 74 -4,-1.5 56,-2.7 1,-0.3 -1,-0.3 0.638 85.4 71.3 -66.5 -15.5 12.5 37.0 25.6 128 130 X L G < S+ 0 0 101 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.728 76.5 104.3 -73.2 -22.6 9.7 35.3 23.6 129 131 X S < - 0 0 21 -3,-1.4 55,-0.2 -4,-0.3 54,-0.2 -0.316 69.9-126.7 -65.9 140.6 9.4 32.5 26.2 130 132 X S > - 0 0 15 53,-0.1 4,-2.3 52,-0.1 5,-0.2 -0.239 30.1-100.0 -77.3 171.3 6.5 32.5 28.7 131 133 X R H > S+ 0 0 3 98,-1.3 4,-2.7 1,-0.2 5,-0.2 0.902 124.4 52.5 -59.2 -43.2 6.9 32.3 32.4 132 134 X A H > S+ 0 0 35 94,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.910 109.8 47.6 -60.2 -44.9 6.1 28.6 32.3 133 135 X E H 4>S+ 0 0 101 2,-0.2 5,-1.4 1,-0.2 -1,-0.2 0.893 112.6 49.1 -64.4 -40.7 8.7 27.9 29.7 134 136 X I H ><5S+ 0 0 1 -4,-2.3 3,-2.1 1,-0.2 5,-0.4 0.920 108.3 52.8 -65.0 -43.8 11.3 29.9 31.6 135 137 X Y H 3<5S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 107.3 55.0 -58.3 -33.1 10.5 28.0 34.8 136 138 X A T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.416 131.0 -95.0 -81.5 0.2 11.1 24.9 32.7 137 139 X G T < 5S+ 0 0 54 -3,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.824 72.4 147.3 91.3 36.2 14.6 26.1 31.8 138 140 X A < + 0 0 54 -5,-1.4 2,-0.3 -8,-0.2 -4,-0.2 0.725 59.6 68.6 -73.4 -22.2 14.1 27.9 28.4 139 141 X L S S- 0 0 12 -5,-0.4 5,-0.0 -6,-0.1 2,-0.0 -0.727 91.0-103.9-102.2 150.0 16.8 30.4 29.2 140 142 X S > - 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