==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-FEB-04 1SDN . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 5; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.NICOLA,R.A.NICHOLAS,C.DAVIES . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 25.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 3 0 0 0 0 0 0 0 1 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 1 1 3 1 0 2 2 1 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 0 0 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 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 A L > 0 0 171 0, 0.0 4,-1.8 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -98.0 46.4 0.0 14.6 2 4 A N T 4 + 0 0 128 1,-0.2 4,-0.1 2,-0.2 0, 0.0 0.687 360.0 54.5 -71.5 -19.7 45.3 3.8 14.3 3 5 A I T 4 S+ 0 0 137 2,-0.2 3,-0.2 1,-0.1 -1,-0.2 0.761 108.7 50.1 -83.7 -25.4 44.0 3.3 10.8 4 6 A K T 4 S+ 0 0 89 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.924 117.2 38.6 -69.5 -47.7 41.8 0.5 11.9 5 7 A T S < S+ 0 0 71 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.221 86.9 139.9 -92.9 11.2 40.3 2.4 14.9 6 8 A M - 0 0 83 -3,-0.2 -3,-0.1 -5,-0.1 -4,-0.0 -0.265 44.8-145.6 -64.1 139.0 40.0 5.8 13.0 7 9 A I - 0 0 150 287,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.944 26.1-128.5-103.0 111.7 37.0 8.0 13.6 8 10 A P - 0 0 25 0, 0.0 2,-0.1 0, 0.0 247,-0.0 -0.279 16.7-116.5 -65.5 140.5 36.2 9.8 10.3 9 11 A G - 0 0 64 1,-0.1 0, 0.0 -2,-0.0 0, 0.0 -0.420 30.8-117.9 -66.9 149.7 35.7 13.6 10.2 10 12 A V - 0 0 67 -2,-0.1 3,-0.1 1,-0.1 -1,-0.1 -0.780 29.9-116.5 -93.5 133.9 32.3 14.7 9.1 11 13 A P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.184 35.8 -91.2 -63.0 162.0 32.1 16.8 5.9 12 14 A Q - 0 0 167 2,-0.0 2,-0.5 235,-0.0 235,-0.1 -0.682 42.8-164.7 -75.2 120.8 30.9 20.4 5.9 13 15 A I - 0 0 9 -2,-0.5 2,-1.6 2,-0.1 232,-0.0 -0.960 14.6-144.2-114.0 126.4 27.2 20.5 5.3 14 16 A D + 0 0 62 -2,-0.5 222,-2.0 226,-0.1 223,-0.4 -0.440 65.3 90.5 -92.6 64.5 25.6 23.8 4.3 15 17 A A E S-A 235 0A 0 -2,-1.6 220,-0.3 220,-0.2 219,-0.2 -0.962 80.8-113.9-151.3 160.8 22.3 23.5 6.1 16 18 A E E S+ 0 0 92 218,-1.3 2,-0.3 217,-0.5 218,-0.2 0.882 96.5 5.2 -69.0 -40.1 20.8 24.4 9.5 17 19 A S E +A 233 0A 1 216,-2.5 216,-3.3 17,-0.1 2,-0.3 -0.998 64.4 166.6-149.8 152.5 20.3 20.8 10.5 18 20 A Y E -AB 232 32A 12 14,-2.1 14,-2.3 -2,-0.3 2,-0.3 -0.988 10.5-170.4-157.1 157.4 20.9 17.2 9.3 19 21 A I E -AB 231 31A 0 212,-1.7 212,-2.2 -2,-0.3 2,-0.4 -0.974 6.9-160.6-150.2 148.6 21.0 13.6 10.3 20 22 A L E +AB 230 30A 0 10,-2.0 9,-3.0 -2,-0.3 10,-1.0 -0.983 19.9 174.5-131.7 118.4 22.2 10.3 8.7 21 23 A I E -AB 229 28A 7 208,-2.8 208,-3.0 -2,-0.4 2,-0.5 -0.917 34.0-121.0-125.5 150.0 20.9 7.0 9.8 22 24 A D E > -A 228 0A 0 5,-1.9 4,-1.9 -2,-0.3 206,-0.2 -0.811 23.5-142.4 -83.8 129.9 21.2 3.5 8.8 23 25 A Y T 4 S+ 0 0 44 204,-2.6 -1,-0.1 -2,-0.5 205,-0.1 0.853 93.7 41.0 -63.0 -39.5 17.7 2.1 7.9 24 26 A N T 4 S+ 0 0 52 203,-0.5 -1,-0.2 1,-0.1 266,-0.2 0.881 125.3 29.8 -79.5 -42.2 18.3 -1.4 9.3 25 27 A S T 4 S- 0 0 36 2,-0.1 -2,-0.2 264,-0.1 -1,-0.1 0.648 92.2-133.0 -94.1 -19.2 20.2 -0.8 12.6 26 28 A G < + 0 0 38 -4,-1.9 -3,-0.1 1,-0.2 2,-0.1 0.458 50.4 156.8 77.3 1.2 18.8 2.7 13.4 27 29 A K - 0 0 95 -6,-0.1 -5,-1.9 1,-0.1 2,-0.7 -0.337 42.3-132.5 -64.9 134.5 22.4 3.9 14.1 28 30 A V E +B 21 0A 46 -7,-0.2 -7,-0.2 1,-0.2 3,-0.1 -0.800 23.7 180.0 -88.4 115.9 23.1 7.6 13.8 29 31 A L E - 0 0 17 -9,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.723 69.4 -6.1 -89.8 -24.3 26.2 8.1 11.7 30 32 A A E +B 20 0A 9 -10,-1.0 -10,-2.0 -20,-0.0 -1,-0.4 -0.938 66.5 173.1-166.4 149.9 26.2 11.9 11.8 31 33 A E E -B 19 0A 94 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.984 11.6-176.7-161.2 148.8 24.0 14.6 13.2 32 34 A Q E S-B 18 0A 73 -14,-2.3 -14,-2.1 -2,-0.3 123,-0.1 -0.909 82.0 -18.3-152.4 128.3 23.8 18.4 13.7 33 35 A N S > S+ 0 0 88 -2,-0.3 3,-0.8 -16,-0.2 122,-0.4 0.877 83.0 158.3 40.0 46.6 20.9 20.2 15.4 34 36 A A T 3 + 0 0 2 1,-0.2 122,-2.5 121,-0.1 123,-0.4 0.707 67.2 44.0 -75.1 -19.8 18.9 17.1 14.6 35 37 A D T 3 S+ 0 0 72 120,-0.2 2,-0.3 119,-0.1 -1,-0.2 0.363 81.5 120.8-103.9 -0.3 16.2 17.7 17.3 36 38 A V < - 0 0 75 -3,-0.8 2,-0.3 1,-0.1 119,-0.3 -0.522 69.7-116.3 -70.4 129.3 15.7 21.5 16.7 37 39 A R + 0 0 130 -2,-0.3 2,-0.3 117,-0.1 117,-0.2 -0.515 46.4 165.1 -68.9 122.8 12.1 22.2 15.8 38 40 A R B -E 153 0B 47 115,-3.0 115,-2.5 -2,-0.3 175,-0.1 -0.963 46.3 -94.4-139.0 154.4 11.8 23.6 12.2 39 41 A D - 0 0 25 -2,-0.3 113,-0.2 113,-0.2 195,-0.2 -0.581 30.7-165.3 -68.0 113.8 9.0 24.1 9.7 40 42 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.677 18.6-171.9 -75.7 -16.4 9.1 20.9 7.5 41 43 A A G > - 0 0 0 1,-0.3 3,-1.8 110,-0.2 4,-0.1 -0.377 69.3 -1.5 56.1-129.9 6.9 22.7 4.8 42 44 A S G > S+ 0 0 22 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.485 115.1 84.5 -72.7 -0.4 5.8 20.2 2.1 43 45 A L G X> S+ 0 0 0 -3,-1.7 3,-2.3 1,-0.3 4,-0.5 0.707 70.8 83.4 -71.5 -18.6 7.7 17.3 3.8 44 46 A T H X> S+ 0 0 0 -3,-1.8 3,-1.5 1,-0.3 4,-1.5 0.871 75.2 70.4 -38.8 -44.4 4.5 17.2 5.8 45 47 A K H <> S+ 0 0 1 -3,-1.4 4,-2.9 99,-0.3 -1,-0.3 0.695 83.0 70.4 -58.1 -20.1 3.3 15.1 2.9 46 48 A M H <> S+ 0 0 0 -3,-2.3 4,-1.3 2,-0.2 -1,-0.3 0.927 103.2 41.3 -60.5 -46.6 5.5 12.3 4.1 47 49 A M H S+ 0 0 16 -4,-2.5 5,-1.9 1,-0.2 6,-0.3 0.922 112.0 46.6 -52.1 -49.0 -5.4 3.0 4.7 56 58 A M H ><5S+ 0 0 48 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.809 110.1 52.6 -70.3 -30.4 -4.5 1.2 1.5 57 59 A K H 3<5S+ 0 0 131 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.830 107.9 52.6 -68.1 -33.9 -2.8 -1.6 3.4 58 60 A A T 3<5S- 0 0 79 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.414 115.7-118.3 -82.9 1.7 -6.0 -2.0 5.5 59 61 A G T < 5 + 0 0 64 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.763 68.9 138.2 68.3 31.1 -8.0 -2.3 2.3 60 62 A K S - 0 0 120 -2,-0.3 3,-1.5 -3,-0.1 30,-0.3 -0.820 31.0 -99.1-131.6 169.3 -7.9 0.9 -4.0 63 65 A E T 3 S+ 0 0 81 -2,-0.3 30,-2.3 1,-0.3 31,-0.2 0.809 120.7 50.5 -50.8 -35.9 -5.8 2.3 -6.8 64 66 A T T 3 S+ 0 0 106 28,-0.2 -1,-0.3 27,-0.1 2,-0.1 0.447 83.1 114.5 -90.7 -3.9 -8.8 2.1 -9.2 65 67 A D < - 0 0 57 -3,-1.5 27,-2.3 1,-0.1 2,-0.4 -0.365 64.0-122.5 -70.7 148.8 -11.4 3.9 -7.0 66 68 A L E -F 91 0C 96 25,-0.2 2,-0.4 26,-0.1 -1,-0.1 -0.751 19.7-158.5 -99.5 135.3 -12.9 7.2 -8.1 67 69 A V E -F 90 0C 3 23,-2.5 23,-2.1 -2,-0.4 2,-0.5 -0.931 12.1-137.6-112.6 135.9 -12.8 10.3 -6.0 68 70 A T E -F 89 0C 87 -2,-0.4 2,-0.6 21,-0.2 21,-0.2 -0.808 24.1-123.7 -90.0 127.5 -15.1 13.3 -6.4 69 71 A I - 0 0 4 19,-2.1 18,-2.8 -2,-0.5 19,-0.1 -0.608 31.5-159.6 -77.0 116.2 -13.4 16.7 -6.3 70 72 A G > - 0 0 28 -2,-0.6 4,-1.2 16,-0.2 3,-0.4 -0.311 33.9-104.2 -89.5 174.9 -14.9 18.9 -3.5 71 73 A N H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.596 117.4 72.3 -77.0 -13.3 -14.9 22.7 -3.0 72 74 A D H 4 S+ 0 0 66 2,-0.2 -1,-0.2 1,-0.1 4,-0.1 0.949 98.3 44.6 -51.9 -59.1 -12.4 21.9 -0.3 73 75 A A H >4 S+ 0 0 3 -3,-0.4 3,-1.0 1,-0.2 -2,-0.2 0.883 115.0 48.3 -59.1 -45.4 -9.7 21.0 -2.9 74 76 A W H 3< S+ 0 0 116 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 103.2 61.4 -62.3 -42.9 -10.6 24.1 -5.0 75 77 A A T 3< 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.296 360.0 360.0 -73.9 8.8 -10.5 26.6 -2.0 76 78 A T < 0 0 67 -3,-1.0 -1,-0.2 -4,-0.1 33,-0.2 -0.784 360.0 360.0-140.6 360.0 -6.8 25.8 -1.3 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 85 A G 0 0 76 0, 0.0 3,-0.0 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 0.4 -9.4 28.2 -13.6 79 86 A S + 0 0 129 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.141 360.0 92.9-150.3 8.2 -7.1 28.4 -16.7 80 87 A S > - 0 0 50 1,-0.1 3,-0.5 3,-0.0 0, 0.0 -0.925 63.2-149.2-109.9 136.6 -4.3 26.1 -15.5 81 88 A L T 3 S+ 0 0 134 -2,-0.4 105,-0.1 1,-0.2 4,-0.1 0.636 91.0 73.4 -79.5 -14.1 -4.4 22.4 -16.4 82 89 A M T 3 S+ 0 0 51 2,-0.1 -1,-0.2 -3,-0.0 2,-0.2 0.797 82.6 80.5 -64.8 -34.7 -2.6 21.5 -13.1 83 90 A F S < S- 0 0 99 -3,-0.5 2,-0.4 1,-0.1 -9,-0.1 -0.511 83.5-116.8 -84.3 144.6 -5.6 22.2 -10.9 84 91 A L - 0 0 1 -2,-0.2 -1,-0.1 -11,-0.1 -2,-0.1 -0.643 27.4-127.7 -79.1 131.0 -8.4 19.7 -10.3 85 92 A K > - 0 0 77 -2,-0.4 3,-1.6 -4,-0.1 -16,-0.2 -0.654 31.6-106.2 -79.6 132.2 -11.8 21.0 -11.5 86 93 A P T 3 S+ 0 0 54 0, 0.0 -16,-0.2 0, 0.0 3,-0.1 -0.345 102.8 20.7 -62.7 136.3 -14.5 20.8 -8.8 87 94 A G T 3 S+ 0 0 60 -18,-2.8 2,-0.2 1,-0.3 -17,-0.1 0.507 95.6 127.1 83.2 7.3 -17.1 18.0 -9.3 88 95 A M < - 0 0 65 -3,-1.6 -19,-2.1 -19,-0.1 2,-0.6 -0.534 59.2-120.7 -92.0 162.3 -14.7 16.0 -11.6 89 96 A Q E +F 68 0C 126 -21,-0.2 -21,-0.2 -2,-0.2 -23,-0.0 -0.919 31.4 174.1-115.3 120.4 -13.8 12.4 -11.1 90 97 A V E -F 67 0C 5 -23,-2.1 -23,-2.5 -2,-0.6 2,-0.0 -0.969 31.2-117.4-125.0 130.8 -10.2 11.3 -10.6 91 98 A P E >> -F 66 0C 34 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.370 24.1-119.9 -63.7 148.1 -8.8 7.8 -9.8 92 99 A V H 3> S+ 0 0 0 -27,-2.3 4,-2.2 -30,-0.3 5,-0.2 0.868 110.5 68.5 -53.7 -39.7 -7.0 7.4 -6.5 93 100 A S H 34 S+ 0 0 34 -30,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.779 104.8 40.8 -53.5 -31.9 -3.9 6.2 -8.5 94 101 A Q H X4 S+ 0 0 41 -3,-1.2 3,-0.8 -31,-0.2 -1,-0.2 0.894 112.7 51.0 -85.9 -43.4 -3.5 9.8 -9.9 95 102 A L H >< S+ 0 0 0 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.880 102.3 59.5 -59.7 -43.8 -4.2 11.9 -6.7 96 103 A I G >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.625 90.0 72.3 -71.0 -12.4 -1.8 10.0 -4.5 97 104 A R G X + 0 0 27 -3,-0.8 3,-1.7 -5,-0.2 -1,-0.3 0.416 65.9 99.3 -74.0 1.0 1.1 10.9 -6.8 98 105 A D G X + 0 0 7 -3,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.689 67.6 74.1 -61.3 -16.3 0.8 14.5 -5.5 99 106 A I G < S+ 0 0 6 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.818 92.6 51.6 -65.4 -31.1 3.7 13.6 -3.2 100 107 A N G < S+ 0 0 4 -3,-1.7 91,-2.0 106,-0.1 -1,-0.2 0.451 99.6 86.4 -85.0 -1.6 6.1 13.7 -6.2 101 108 A L S < S- 0 0 4 -3,-1.1 89,-0.1 -4,-0.2 87,-0.0 -0.568 80.1-125.4-102.8 162.4 5.0 17.2 -7.3 102 109 A Q S S- 0 0 135 -2,-0.2 107,-0.2 106,-0.1 -1,-0.1 0.928 101.9 -6.2 -65.0 -47.1 5.9 20.8 -6.3 103 110 A S + 0 0 54 1,-0.0 -2,-0.2 -3,-0.0 0, 0.0 0.521 65.9 143.4-111.6-102.8 2.3 21.6 -5.4 104 111 A G > + 0 0 2 1,-0.1 4,-1.6 -4,-0.1 3,-0.2 0.743 29.6 144.8 61.4 28.8 -0.7 19.2 -6.1 105 112 A N H > + 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.713 62.8 59.0 -74.3 -24.0 -2.3 20.4 -2.8 106 113 A D H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.888 107.3 47.8 -69.2 -39.3 -5.8 20.2 -4.1 107 114 A A H > S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.918 110.3 54.4 -61.0 -44.7 -5.3 16.4 -4.8 108 115 A C H X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.914 110.8 43.1 -55.8 -50.8 -3.8 16.2 -1.3 109 116 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.891 111.4 54.6 -64.7 -42.1 -6.9 17.7 0.3 110 117 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.848 108.8 49.2 -62.9 -33.6 -9.4 15.7 -1.8 111 118 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.865 106.8 55.7 -73.2 -38.3 -7.6 12.4 -0.7 112 119 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 6,-0.4 0.930 110.7 44.2 -57.2 -50.6 -7.8 13.5 2.9 113 120 A D H X S+ 0 0 36 -4,-2.1 4,-2.6 4,-0.2 -2,-0.2 0.933 113.6 52.0 -56.7 -50.4 -11.6 13.9 2.7 114 121 A F H < S+ 0 0 79 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.886 117.9 35.7 -54.7 -44.2 -11.9 10.6 0.8 115 122 A A H < S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.806 135.8 17.5 -81.1 -32.9 -9.9 8.6 3.3 116 123 A A H < S- 0 0 31 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.366 96.9-113.8-129.4 -0.6 -11.0 10.2 6.6 117 124 A G S < S+ 0 0 63 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.2 -0.051 90.3 19.4 92.6 -34.3 -14.2 12.2 5.9 118 125 A S S > S- 0 0 49 -6,-0.4 4,-1.7 -2,-0.1 5,-0.1 -0.974 78.4-108.3-159.4 163.5 -12.7 15.6 6.5 119 126 A Q H > S+ 0 0 42 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.899 115.0 53.9 -60.1 -46.2 -9.3 17.4 6.7 120 127 A D H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 108.3 48.5 -60.5 -42.6 -9.4 17.8 10.5 121 128 A A H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 110.1 52.6 -67.8 -33.8 -10.0 14.1 11.1 122 129 A F H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.924 108.6 49.3 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