==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-03 1PUQ . COMPND 2 MOLECULE: MUTATOR MUTT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.A.MASSIAH,V.SARASWAT,H.F.AZURMENDI,A.S.MILDVAN . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 15.5 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 M 0 0 186 0, 0.0 2,-0.8 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 162.5 -23.1 -7.8 -3.5 2 2 A K + 0 0 139 75,-0.2 77,-1.1 2,-0.0 2,-0.3 -0.862 360.0 148.1-103.4 106.4 -20.7 -5.0 -2.5 3 3 A K E -a 79 0A 158 -2,-0.8 2,-0.3 75,-0.2 77,-0.2 -0.997 18.6-179.8-140.0 142.8 -17.1 -6.2 -2.6 4 4 A L E -a 80 0A 68 75,-3.2 77,-2.5 -2,-0.3 2,-0.3 -0.992 13.4-147.6-146.0 134.5 -13.8 -4.5 -3.4 5 5 A Q E -a 81 0A 73 -2,-0.3 36,-0.9 75,-0.2 34,-0.4 -0.719 10.6-172.1-102.6 152.9 -10.2 -5.7 -3.5 6 6 A I E -a 82 0A 19 75,-2.4 77,-3.4 -2,-0.3 2,-0.5 -0.968 4.1-175.4-146.5 126.8 -7.0 -3.9 -2.7 7 7 A A E +a 83 0A 0 30,-0.7 2,-0.3 -2,-0.3 33,-0.3 -0.985 14.4 170.8-124.9 125.6 -3.4 -4.9 -3.1 8 8 A V E -a 84 0A 0 75,-3.8 77,-3.5 -2,-0.5 2,-0.4 -0.907 20.5-155.9-133.8 162.6 -0.5 -2.8 -1.9 9 9 A G E -a 85 0A 0 27,-1.5 2,-0.7 -2,-0.3 77,-0.2 -0.932 19.0-134.9-142.7 116.0 3.3 -3.0 -1.4 10 10 A I E -a 86 0A 7 75,-1.8 77,-1.0 -2,-0.4 2,-0.3 -0.567 29.6-135.3 -70.9 109.0 5.3 -0.9 1.0 11 11 A I E -C 19 0B 0 -2,-0.7 8,-1.6 8,-0.7 2,-0.5 -0.514 13.0-138.6 -71.1 126.7 8.3 0.2 -1.1 12 12 A R E -C 18 0B 87 -2,-0.3 6,-0.3 6,-0.2 78,-0.2 -0.769 17.8-153.1 -91.2 123.0 11.6 -0.1 0.7 13 13 A N > - 0 0 13 4,-3.9 3,-0.6 -2,-0.5 -1,-0.1 0.005 36.1 -88.7 -79.9-172.4 14.1 2.7 0.3 14 14 A E T 3 S+ 0 0 131 1,-0.2 4,-0.1 76,-0.1 -1,-0.1 0.345 122.4 50.5 -81.8 4.3 17.8 2.8 0.5 15 15 A N T 3 S- 0 0 84 2,-0.4 -1,-0.2 0, 0.0 3,-0.1 -0.283 122.5 -91.1-139.5 51.8 17.7 3.4 4.3 16 16 A N S < S+ 0 0 108 -3,-0.6 91,-0.5 1,-0.2 2,-0.4 0.727 95.5 123.2 45.8 24.3 15.3 0.8 5.7 17 17 A E - 0 0 36 89,-0.2 -4,-3.9 90,-0.1 2,-0.4 -0.925 54.7-142.5-115.9 137.5 12.7 3.5 5.1 18 18 A I E -CD 12 105B 9 87,-2.2 87,-1.9 -2,-0.4 2,-0.7 -0.838 11.9-128.1-105.9 139.6 9.6 2.9 3.0 19 19 A F E +CD 11 104B 3 -8,-1.6 -8,-0.7 -2,-0.4 2,-0.3 -0.729 39.5 165.1 -85.3 112.4 8.0 5.4 0.6 20 20 A I E - D 0 103B 1 83,-1.0 83,-0.8 -2,-0.7 2,-0.7 -0.947 45.9 -99.1-128.7 149.9 4.3 5.7 1.4 21 21 A T E +ED 34 102B 5 13,-1.2 13,-1.8 -2,-0.3 2,-0.4 -0.556 52.1 167.0 -70.6 111.5 1.7 8.2 0.4 22 22 A R - 0 0 104 -2,-0.7 11,-0.1 79,-0.5 9,-0.1 -0.971 67.2 -29.7-134.0 119.7 1.3 10.5 3.4 23 23 A R S > S- 0 0 141 -2,-0.4 4,-0.7 6,-0.3 7,-0.1 0.755 99.6-108.6 47.7 26.2 -0.5 13.9 3.4 24 24 A A T 4 - 0 0 17 76,-0.3 76,-0.1 1,-0.2 -2,-0.1 0.122 40.0 -74.7 46.6-168.8 0.6 14.1 -0.2 25 25 A A T 4 S- 0 0 71 77,-0.1 -1,-0.2 1,-0.0 77,-0.1 0.759 119.0 -12.3 -91.1 -29.8 3.3 16.5 -1.3 26 26 A D T 4 S+ 0 0 152 75,-0.1 -2,-0.2 0, 0.0 2,-0.1 0.041 106.2 115.2-162.3 33.6 1.1 19.6 -1.1 27 27 A A < - 0 0 57 -4,-0.7 3,-0.0 2,-0.1 73,-0.0 -0.166 65.7-121.8 -96.2-167.6 -2.5 18.4 -0.7 28 28 A H S S+ 0 0 165 1,-0.1 2,-1.7 -2,-0.1 3,-0.1 0.734 82.9 96.4-107.0 -36.2 -5.0 18.7 2.1 29 29 A M > + 0 0 110 1,-0.2 3,-0.7 2,-0.1 -6,-0.3 -0.368 41.9 163.9 -60.3 86.6 -5.8 15.1 2.8 30 30 A A T 3 + 0 0 33 -2,-1.7 3,-0.3 1,-0.2 -7,-0.2 0.683 69.7 61.8 -79.7 -19.3 -3.4 14.7 5.7 31 31 A N T 3 S+ 0 0 90 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 -0.045 75.1 97.6 -96.4 31.2 -5.1 11.4 6.8 32 32 A K < + 0 0 72 -3,-0.7 2,-2.8 83,-0.1 -1,-0.2 0.008 39.5 147.8-106.3 26.3 -4.2 9.7 3.5 33 33 A L + 0 0 1 81,-0.3 -11,-0.3 -3,-0.3 82,-0.2 -0.348 32.9 133.3 -63.1 74.7 -1.2 8.0 4.9 34 34 A E B -E 21 0B 35 -2,-2.8 -13,-1.2 -13,-1.8 -2,-0.1 -0.497 50.2-111.4-117.3-173.3 -1.6 4.9 2.7 35 35 A F - 0 0 8 -15,-0.2 3,-0.4 -2,-0.2 -25,-0.1 -0.732 30.2 -97.8-119.3 168.5 0.5 2.7 0.4 36 36 A P S S+ 0 0 5 0, 0.0 -27,-1.5 0, 0.0 18,-0.1 -0.319 87.4 63.4 -81.9 166.7 0.7 2.0 -3.4 37 37 A G > + 0 0 0 16,-0.3 3,-0.8 1,-0.3 -30,-0.7 0.305 65.6 147.3 101.7 -5.8 -0.9 -0.8 -5.4 38 38 A G T 3 + 0 0 12 -3,-0.4 -1,-0.3 1,-0.2 -32,-0.1 -0.112 50.9 44.9 -59.3 159.8 -4.5 0.1 -4.8 39 39 A K T > + 0 0 96 -34,-0.4 3,-1.0 3,-0.0 -1,-0.2 0.376 64.8 131.5 86.1 -2.2 -7.2 -0.6 -7.4 40 40 A I G X> + 0 0 1 -3,-0.8 4,-1.0 -33,-0.3 3,-0.6 0.798 58.5 79.4 -50.0 -27.9 -5.9 -4.1 -8.2 41 41 A E G >4 + 0 0 66 -36,-0.9 3,-0.5 1,-0.2 -1,-0.3 0.920 59.9 100.7 -43.5 -61.5 -9.5 -5.0 -7.7 42 42 A M G <4 S- 0 0 122 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.375 112.4 -60.8 9.6 -81.1 -10.5 -3.8 -11.2 43 43 A G G <4 S+ 0 0 68 -3,-0.6 -1,-0.2 2,-0.1 -2,-0.1 0.190 94.6 122.1-176.3 32.6 -10.5 -7.3 -12.8 44 44 A E << - 0 0 73 -4,-1.0 -4,-0.0 -3,-0.5 5,-0.0 -0.163 62.9 -86.8 -92.5-170.7 -7.0 -8.9 -12.5 45 45 A T > - 0 0 72 1,-0.1 4,-4.2 -2,-0.1 5,-0.3 -0.713 38.9-104.0-101.2 153.0 -5.9 -12.1 -10.8 46 46 A P T 4 S+ 0 0 60 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.730 126.4 32.4 -43.9 -24.8 -4.9 -12.6 -7.1 47 47 A E T > S+ 0 0 119 2,-0.1 4,-1.4 3,-0.1 3,-0.2 0.802 124.0 41.5-102.2 -42.2 -1.3 -12.6 -8.5 48 48 A Q H > S+ 0 0 103 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.682 100.3 76.0 -80.3 -18.4 -1.5 -10.3 -11.5 49 49 A A H X S+ 0 0 4 -4,-4.2 4,-1.8 2,-0.2 -1,-0.2 0.939 108.8 27.1 -57.4 -49.9 -3.7 -7.8 -9.6 50 50 A V H > S+ 0 0 0 -5,-0.3 4,-2.4 -4,-0.3 -2,-0.2 0.923 121.9 52.9 -78.5 -47.9 -0.8 -6.4 -7.6 51 51 A V H X S+ 0 0 65 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.845 116.4 41.6 -56.7 -36.0 2.0 -7.2 -10.1 52 52 A R H >X S+ 0 0 120 -4,-2.7 4,-1.0 2,-0.2 3,-0.8 0.949 116.6 44.9 -77.3 -52.0 -0.0 -5.3 -12.7 53 53 A E H 3X S+ 0 0 19 -4,-1.8 4,-2.1 -5,-0.4 -16,-0.3 0.739 101.3 73.5 -63.4 -22.1 -1.1 -2.4 -10.6 54 54 A L H 3X>S+ 0 0 26 -4,-2.4 4,-0.8 1,-0.2 5,-0.6 0.922 97.8 44.7 -58.4 -45.0 2.4 -2.3 -9.3 55 55 A Q H - 0 0 75 -2,-0.5 3,-4.0 3,-0.3 2,-1.4 -0.331 53.2 -63.5 -78.8 163.2 -17.7 -5.1 6.9 76 76 A P T 3 S- 0 0 108 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.234 129.4 -12.0 -50.7 83.8 -21.4 -5.3 7.9 77 77 A D T 3 S+ 0 0 149 -2,-1.4 2,-0.3 1,-0.3 -75,-0.2 0.562 126.9 93.8 94.0 15.4 -22.7 -5.6 4.3 78 78 A R < - 0 0 118 -3,-4.0 2,-0.5 -77,-0.1 -1,-0.3 -0.975 59.1-150.3-137.4 150.2 -19.4 -4.7 2.8 79 79 A H E +a 3 0A 27 -77,-1.1 -75,-3.2 -2,-0.3 2,-0.5 -0.951 18.0 172.7-126.9 113.5 -16.4 -6.7 1.5 80 80 A I E -aB 4 73A 16 -7,-1.8 -7,-1.6 -2,-0.5 2,-0.6 -0.966 11.2-166.5-124.2 119.4 -12.9 -5.2 1.6 81 81 A T E -aB 5 72A 4 -77,-2.5 -75,-2.4 -2,-0.5 2,-0.6 -0.905 7.1-173.3-106.3 118.8 -9.8 -7.3 0.7 82 82 A L E -aB 6 71A 2 -11,-1.8 -11,-2.6 -2,-0.6 2,-0.6 -0.933 3.0-173.8-118.4 114.4 -6.5 -5.8 1.7 83 83 A W E -aB 7 70A 47 -77,-3.4 -75,-3.8 -2,-0.6 2,-0.6 -0.911 8.3-158.7-107.6 122.3 -3.2 -7.5 0.5 84 84 A F E -aB 8 69A 6 -15,-2.5 -15,-2.6 -2,-0.6 -16,-0.8 -0.885 10.5-165.2-104.5 120.2 0.0 -6.1 1.9 85 85 A W E -aB 9 67A 17 -77,-3.5 -75,-1.8 -2,-0.6 2,-0.4 -0.775 15.6-125.2-106.2 149.1 3.1 -6.8 -0.1 86 86 A L E -a 10 0A 41 -20,-1.9 -21,-0.6 -2,-0.3 2,-0.3 -0.743 22.4-167.3 -95.5 138.6 6.8 -6.5 0.9 87 87 A V E - B 0 64A 0 -77,-1.0 -23,-0.2 -2,-0.4 3,-0.1 -0.928 13.6-172.2-123.4 145.8 9.3 -4.5 -1.1 88 88 A E - 0 0 120 -25,-1.1 2,-0.3 1,-0.3 -24,-0.2 0.706 65.4 -4.9-110.6 -26.7 13.1 -4.4 -0.8 89 89 A R - 0 0 100 -26,-1.8 -1,-0.3 -75,-0.0 2,-0.3 -0.991 47.9-163.4-162.5 161.7 14.3 -1.6 -3.1 90 90 A W - 0 0 2 -2,-0.3 2,-0.1 -28,-0.3 -76,-0.1 -0.913 21.8-128.3-156.9 124.7 13.3 1.0 -5.6 91 91 A E S S- 0 0 107 -30,-0.7 -30,-0.2 -2,-0.3 -31,-0.0 -0.456 72.4 -27.4 -73.1 142.7 15.3 3.0 -8.1 92 92 A G S S- 0 0 64 -2,-0.1 -2,-0.1 -32,-0.1 -32,-0.0 -0.162 113.8 -26.4 53.1-143.4 14.8 6.8 -8.2 93 93 A E - 0 0 114 -35,-0.0 2,-0.3 -74,-0.0 -2,-0.1 -0.872 65.4-117.8-107.5 138.0 11.5 8.0 -7.0 94 94 A P + 0 0 9 0, 0.0 8,-0.3 0, 0.0 -35,-0.2 -0.557 45.8 150.9 -74.9 129.0 8.2 6.0 -7.2 95 95 A W > + 0 0 159 -37,-2.5 3,-0.9 -2,-0.3 -36,-0.3 0.689 15.8 129.4-121.2 -62.6 5.6 7.5 -9.4 96 96 A G T 3 S- 0 0 11 -38,-1.8 -39,-0.4 1,-0.2 -38,-0.2 -0.113 86.7 -77.0 40.9 -97.7 3.2 5.0 -11.1 97 97 A K T 3 S+ 0 0 158 -2,-0.2 -1,-0.2 3,-0.0 -40,-0.2 0.181 75.5 142.7 173.6 39.4 -0.1 6.5 -10.1 98 98 A E < - 0 0 35 -3,-0.9 -2,-0.1 -41,-0.4 -41,-0.1 0.937 64.7-115.3 -57.9 -49.4 -0.9 5.7 -6.5 99 99 A G S S+ 0 0 52 -4,-0.3 -1,-0.1 -42,-0.1 -3,-0.0 -0.401 85.9 44.5 148.9 -68.1 -2.5 9.1 -5.9 100 100 A Q S S- 0 0 38 -68,-0.1 -76,-0.3 -76,-0.1 -66,-0.1 -0.934 82.8-119.0-117.7 113.3 -0.7 11.3 -3.4 101 101 A P - 0 0 74 0, 0.0 -79,-0.5 0, 0.0 2,-0.2 -0.001 34.9-161.0 -43.6 146.2 3.2 11.6 -3.6 102 102 A G E -D 21 0B 9 -8,-0.3 2,-0.3 -81,-0.2 -81,-0.2 -0.738 10.7-125.7-128.2 177.4 5.0 10.4 -0.5 103 103 A E E -D 20 0B 108 -83,-0.8 -83,-1.0 -2,-0.2 2,-0.8 -0.875 39.3 -88.4-124.4 157.2 8.4 10.6 1.2 104 104 A W E +D 19 0B 102 -2,-0.3 2,-0.3 -85,-0.2 -85,-0.2 -0.511 61.1 166.9 -67.6 106.4 10.9 8.1 2.4 105 105 A M E -D 18 0B 20 -87,-1.9 -87,-2.2 -2,-0.8 2,-0.7 -0.800 43.1 -97.2-120.2 163.2 9.8 7.3 6.0 106 106 A S > - 0 0 56 -89,-0.3 3,-2.0 -2,-0.3 -89,-0.2 -0.705 22.3-154.9 -83.4 114.8 10.6 4.7 8.6 107 107 A L G > S+ 0 0 23 -2,-0.7 3,-1.2 -91,-0.5 -1,-0.2 0.704 86.7 82.3 -60.7 -18.8 7.9 1.9 8.5 108 108 A V G 3 S+ 0 0 99 1,-0.3 -1,-0.3 21,-0.0 -91,-0.0 0.597 96.7 43.3 -62.9 -8.9 8.9 1.2 12.1 109 109 A G G < S+ 0 0 51 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.1 -0.313 81.1 170.9-133.6 51.7 6.6 4.1 12.9 110 110 A L < - 0 0 24 -3,-1.2 2,-0.8 16,-0.1 3,-0.1 -0.234 32.3-126.2 -62.2 150.2 3.5 3.6 10.8 111 111 A N > + 0 0 60 1,-0.2 4,-1.9 -78,-0.1 -1,-0.1 -0.818 31.9 170.2-107.3 97.3 0.5 5.8 11.4 112 112 A A T 4 S+ 0 0 7 -2,-0.8 -1,-0.2 1,-0.2 7,-0.2 0.733 84.8 52.4 -72.5 -22.6 -2.7 3.8 12.0 113 113 A D T 4 S+ 0 0 127 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.898 109.7 45.1 -79.0 -44.9 -4.4 7.1 13.0 114 114 A D T 4 S+ 0 0 32 2,-0.1 -81,-0.3 -82,-0.1 -2,-0.2 0.907 111.4 59.8 -66.6 -42.7 -3.4 9.1 10.0 115 115 A F S < S- 0 0 4 -4,-1.9 -83,-0.1 -83,-0.2 -81,-0.1 -0.205 117.1 -54.3 -78.5 174.3 -4.4 6.4 7.6 116 116 A P > - 0 0 35 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 -0.272 44.9-150.8 -54.1 127.7 -7.9 4.9 7.3 117 117 A P G > S+ 0 0 88 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 0.856 96.3 56.6 -69.0 -36.3 -9.1 3.7 10.8 118 118 A A G 3 S+ 0 0 39 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.592 101.6 59.9 -71.1 -9.7 -11.3 1.0 9.4 119 119 A N G X> S+ 0 0 26 -3,-0.7 4,-0.8 1,-0.2 3,-0.6 0.053 73.3 104.9-104.4 21.6 -8.2 -0.3 7.6 120 120 A E H <> + 0 0 60 -3,-1.4 4,-4.5 1,-0.2 5,-0.3 0.787 53.7 83.5 -73.2 -31.3 -6.4 -0.9 10.9 121 121 A P H 34 S+ 0 0 59 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.810 98.7 43.0 -43.8 -33.0 -6.8 -4.8 10.9 122 122 A V H X> S+ 0 0 2 -3,-0.6 4,-1.2 2,-0.2 3,-0.9 0.935 119.6 39.7 -78.0 -51.1 -3.7 -4.8 8.6 123 123 A I H 3X S+ 0 0 1 -4,-0.8 4,-4.3 1,-0.2 5,-0.4 0.807 101.6 72.5 -69.2 -30.7 -1.6 -2.2 10.5 124 124 A A H 3X S+ 0 0 43 -4,-4.5 4,-0.6 1,-0.2 -1,-0.2 0.797 102.1 46.0 -54.8 -27.6 -2.8 -3.6 13.9 125 125 A K H <4 S+ 0 0 133 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.939 123.8 28.7 -80.4 -53.1 -0.5 -6.6 13.1 126 126 A L H >< S+ 0 0 42 -4,-1.2 3,-2.4 1,-0.2 -2,-0.2 0.819 111.5 67.8 -78.2 -33.2 2.6 -4.7 11.9 127 127 A K H 3< S+ 0 0 93 -4,-4.3 -3,-0.2 1,-0.3 -1,-0.2 0.899 96.7 54.1 -53.4 -42.8 2.0 -1.6 14.0 128 128 A R T 3< 0 0 216 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.579 360.0 360.0 -68.2 -7.4 2.7 -3.7 17.1 129 129 A L < 0 0 133 -3,-2.4 -1,-0.2 -4,-0.0 -2,-0.1 -0.087 360.0 360.0 46.1 360.0 5.9 -4.5 15.3