==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE REGULATOR 05-JAN-11 3Q7V . COMPND 2 MOLECULE: BETA-LACTAMASE REGULATORY PROTEIN BLAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR O.Y.BORBULEVYCH,S.MOBASHERY,B.M.BAKER . 504 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 20.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 . 25 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 0 1 1 0 2 2 4 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 5 2 2 0 2 0 0 4 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 2 A Q 0 0 158 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -63.0 5.8 12.1 35.9 2 3 A S > - 0 0 61 1,-0.0 3,-0.5 0, 0.0 4,-0.2 -0.180 360.0 -87.9 -90.3-172.4 5.9 15.7 34.4 3 4 A I T 3 S+ 0 0 153 1,-0.2 3,-0.2 2,-0.1 -1,-0.0 0.723 127.5 34.5 -70.5 -23.7 3.3 18.6 34.6 4 5 A T T > S+ 0 0 65 1,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.337 92.1 96.6-115.5 3.5 1.5 17.5 31.4 5 6 A D T < S+ 0 0 14 -3,-0.5 129,-0.2 1,-0.2 -2,-0.1 0.620 83.9 46.9 -73.2 -11.0 1.9 13.7 31.9 6 7 A Y T 3 S+ 0 0 128 -4,-0.2 47,-2.2 -3,-0.2 2,-0.3 0.368 110.9 41.7-115.4 3.5 -1.5 13.1 33.5 7 8 A N B < -A 52 0A 66 -3,-0.9 2,-0.5 45,-0.3 45,-0.2 -0.982 62.5-136.2-154.6 155.5 -3.8 15.0 31.3 8 9 A Y + 0 0 30 43,-2.4 146,-0.1 -2,-0.3 -3,-0.0 -0.969 24.2 167.6-117.4 119.1 -4.6 15.7 27.7 9 10 A K + 0 0 155 -2,-0.5 -1,-0.1 -5,-0.1 3,-0.1 0.505 27.7 127.0-114.6 -2.5 -5.5 19.3 26.8 10 11 A K - 0 0 105 1,-0.1 2,-0.1 3,-0.0 -2,-0.0 -0.286 65.0-114.1 -56.4 131.8 -5.4 19.6 23.0 11 12 A P - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.439 25.7-112.8 -69.9 146.4 -8.7 21.1 21.8 12 13 A L - 0 0 28 1,-0.1 2,-0.1 2,-0.1 4,-0.1 -0.715 21.1-159.8 -74.0 120.6 -10.9 18.9 19.7 13 14 A H + 0 0 155 -2,-0.6 2,-0.3 2,-0.1 -1,-0.1 -0.114 64.8 79.3 -92.9 40.2 -11.0 20.4 16.2 14 15 A N S S- 0 0 50 -2,-0.1 2,-0.3 28,-0.0 27,-0.1 -0.880 90.5 -84.9-138.3 165.5 -14.2 18.5 15.6 15 16 A D E +b 41 0B 121 25,-0.7 27,-2.5 -2,-0.3 2,-0.3 -0.561 52.3 178.0 -60.7 131.8 -17.9 18.2 16.0 16 17 A Y E -b 42 0B 129 -2,-0.3 2,-0.4 25,-0.2 27,-0.2 -0.997 20.3-155.3-143.1 153.3 -18.6 16.6 19.3 17 18 A Q E -b 43 0B 109 25,-1.9 27,-2.5 -2,-0.3 2,-0.3 -0.986 18.9-131.1-131.3 131.1 -21.8 15.7 21.2 18 19 A I E -b 44 0B 98 -2,-0.4 2,-0.2 25,-0.2 27,-0.2 -0.655 27.6-161.9 -84.9 134.8 -21.9 15.3 25.0 19 20 A L - 0 0 23 25,-3.1 27,-0.5 -2,-0.3 2,-0.5 -0.716 16.4-139.4-110.3 164.6 -23.7 12.1 26.2 20 21 A D + 0 0 114 -2,-0.2 3,-0.1 25,-0.1 25,-0.1 -0.921 37.0 148.7-124.4 111.5 -25.2 11.0 29.4 21 22 A K >> + 0 0 31 -2,-0.5 4,-2.1 1,-0.1 3,-0.6 0.089 29.7 122.1-124.7 21.4 -24.4 7.3 30.2 22 23 A S H 3> S+ 0 0 52 1,-0.3 4,-1.7 2,-0.2 6,-0.1 0.748 71.4 55.8 -60.4 -29.3 -24.4 7.6 34.0 23 24 A K H 34 S+ 0 0 188 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.858 108.9 46.3 -72.5 -38.3 -27.1 5.0 34.5 24 25 A I H <4 S+ 0 0 28 -3,-0.6 -2,-0.2 1,-0.2 -1,-0.2 0.919 112.1 52.1 -68.2 -38.9 -25.2 2.4 32.6 25 26 A F H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 -2,-0.2 0.837 85.6 168.9 -65.6 -33.2 -22.0 3.3 34.5 26 27 A G T 3< - 0 0 53 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 -0.365 69.3 -7.9 67.0-127.4 -24.0 2.8 37.8 27 28 A S T 3 S+ 0 0 110 -3,-0.1 -1,-0.3 -4,-0.1 2,-0.3 0.479 118.6 92.7 -81.0 -4.6 -21.6 2.8 40.7 28 29 A N < - 0 0 22 -3,-2.4 2,-0.3 202,-0.2 202,-0.2 -0.664 65.4-148.9 -86.7 147.4 -18.5 2.8 38.5 29 30 A S E +C 229 0B 51 200,-1.8 199,-2.2 -2,-0.3 200,-1.2 -0.865 44.8 88.1-110.6 154.0 -16.9 6.1 37.5 30 31 A G E -C 227 0B 0 -2,-0.3 2,-0.3 197,-0.3 197,-0.2 -0.979 61.3 -84.1 156.8-154.1 -15.1 6.7 34.2 31 32 A S E -C 226 0B 0 195,-1.9 195,-2.2 -2,-0.3 2,-0.4 -0.907 15.9-150.2-144.8 165.4 -15.8 7.9 30.7 32 33 A F E -CD 225 45B 0 13,-1.8 13,-2.9 -2,-0.3 2,-0.3 -0.990 14.7-177.6-138.8 140.8 -16.9 6.7 27.3 33 34 A V E +CD 224 44B 0 191,-2.0 191,-2.0 -2,-0.4 2,-0.3 -0.996 1.4 179.3-138.2 141.3 -15.8 8.1 23.9 34 35 A M E -CD 223 43B 4 9,-1.7 9,-2.1 -2,-0.3 2,-0.4 -0.999 10.2-160.9-140.8 144.9 -16.9 7.1 20.3 35 36 A Y E -CD 222 42B 11 187,-2.9 187,-1.8 -2,-0.3 2,-0.5 -0.988 8.4-151.2-124.2 138.4 -16.0 8.4 16.9 36 37 A S E >> -CD 221 41B 3 5,-2.0 4,-2.0 -2,-0.4 5,-0.9 -0.928 4.8-154.0-107.6 126.5 -18.1 7.8 13.8 37 38 A M T 45S+ 0 0 63 183,-2.4 -1,-0.1 -2,-0.5 184,-0.1 0.910 95.8 48.6 -60.5 -44.8 -16.2 7.8 10.4 38 39 A A T 45S+ 0 0 77 182,-0.3 -1,-0.2 1,-0.2 183,-0.1 0.895 120.3 35.2 -67.0 -39.6 -19.3 8.8 8.4 39 40 A A T 45S- 0 0 49 2,-0.2 -1,-0.2 -24,-0.0 -2,-0.2 0.755 91.3-143.5 -84.2 -26.5 -20.2 11.8 10.7 40 41 A D T <5 + 0 0 74 -4,-2.0 -25,-0.7 1,-0.3 2,-0.3 0.975 60.9 124.6 53.6 54.1 -16.6 12.8 11.5 41 42 A A E < -bD 15 36B 13 -5,-0.9 -5,-2.0 -27,-0.1 2,-0.3 -0.988 57.2-134.9-140.6 148.8 -17.9 13.5 15.0 42 43 A Y E -bD 16 35B 4 -27,-2.5 -25,-1.9 -2,-0.3 2,-0.4 -0.725 9.0-156.3-101.3 153.1 -17.0 12.4 18.6 43 44 A Y E -bD 17 34B 44 -9,-2.1 -9,-1.7 -2,-0.3 2,-0.5 -0.987 19.6-170.1-132.7 116.4 -19.6 11.4 21.2 44 45 A I E -bD 18 33B 0 -27,-2.5 -25,-3.1 -2,-0.4 2,-0.5 -0.951 21.7-164.9-124.3 123.6 -18.3 11.8 24.8 45 46 A Y E S+ D 0 32B 22 -13,-2.9 -13,-1.8 -2,-0.5 -25,-0.1 -0.958 86.7 2.5 -96.1 126.9 -19.6 10.8 28.2 46 47 A N S > S- 0 0 71 -2,-0.5 4,-2.4 -27,-0.5 -1,-0.2 0.989 73.6-166.9 60.2 72.4 -17.8 12.6 31.0 47 48 A E T 4 S+ 0 0 69 -3,-0.3 4,-0.4 1,-0.2 107,-0.1 0.769 81.4 50.4 -58.6 -35.8 -15.5 14.9 28.9 48 49 A K T >4 S+ 0 0 153 2,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.902 112.6 46.2 -74.3 -41.9 -13.2 16.0 31.8 49 50 A E G >4 S+ 0 0 34 1,-0.2 3,-1.8 2,-0.2 104,-0.3 0.891 104.8 63.2 -68.3 -33.2 -12.6 12.5 32.9 50 51 A S G 3< S+ 0 0 0 -4,-2.4 104,-2.3 1,-0.3 105,-0.4 0.604 100.1 53.8 -67.2 -10.8 -12.0 11.4 29.3 51 52 A R G < S+ 0 0 32 -3,-1.0 -43,-2.4 -4,-0.4 2,-0.4 0.401 83.5 106.5-105.3 0.9 -9.0 13.7 29.1 52 53 A K B < -A 7 0A 79 -3,-1.8 101,-0.6 -45,-0.2 2,-0.4 -0.704 69.4-130.6 -78.6 132.9 -7.3 12.2 32.2 53 54 A R E +O 152 0C 31 -47,-2.2 2,-0.3 -2,-0.4 99,-0.3 -0.678 32.0 167.5 -91.4 131.8 -4.4 10.0 31.3 54 55 A Y E -O 151 0C 53 97,-2.4 97,-2.8 -2,-0.4 153,-0.0 -0.923 46.7 -78.3-134.4 160.5 -3.9 6.5 32.7 55 56 A S - 0 0 4 -2,-0.3 95,-0.2 95,-0.3 144,-0.1 -0.353 35.5-144.5 -53.5 132.1 -1.7 3.5 32.1 56 57 A P > - 0 0 0 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.695 29.9-178.7 -74.1 -18.8 -3.1 1.7 29.0 57 58 A N G > - 0 0 4 87,-1.5 3,-2.0 1,-0.3 4,-0.2 -0.237 67.8 -2.8 46.7-131.8 -2.2 -1.7 30.4 58 59 A S G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.624 121.0 76.4 -65.9 -13.5 -3.1 -4.5 28.0 59 60 A T G X S+ 0 0 0 -3,-1.7 3,-1.2 1,-0.3 4,-0.4 0.770 85.0 66.2 -66.2 -24.2 -4.6 -2.1 25.5 60 61 A Y G X> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.2 3,-0.7 0.690 79.6 79.5 -67.0 -18.9 -1.1 -1.3 24.5 61 62 A K H <> S+ 0 0 0 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.817 84.0 64.6 -55.3 -29.9 -0.7 -4.9 23.3 62 63 A I H <> S+ 0 0 0 -3,-1.2 4,-1.7 -4,-0.3 -1,-0.2 0.923 107.7 39.7 -50.5 -49.5 -2.6 -3.5 20.2 63 64 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.7 -4,-0.4 -2,-0.2 0.866 112.1 52.5 -78.8 -41.5 0.4 -1.3 19.5 64 65 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.870 110.0 53.3 -57.4 -39.8 3.2 -3.8 20.4 65 66 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.924 110.4 45.5 -59.7 -46.8 1.4 -6.2 18.0 66 67 A M H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.881 114.6 47.3 -62.8 -40.1 1.6 -3.5 15.3 67 68 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 6,-0.3 0.935 111.3 52.3 -69.0 -44.3 5.3 -2.7 16.0 68 69 A G H <>S+ 0 0 0 -4,-2.8 6,-1.8 1,-0.2 5,-1.2 0.836 112.9 44.3 -55.2 -39.5 6.1 -6.4 16.0 69 70 A L H ><5S+ 0 0 11 -4,-1.9 3,-0.9 4,-0.2 -1,-0.2 0.893 112.6 52.8 -70.3 -41.3 4.4 -6.8 12.6 70 71 A D H 3<5S+ 0 0 33 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.851 113.8 40.4 -66.1 -39.7 6.1 -3.7 11.3 71 72 A R T 3<5S- 0 0 101 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.285 113.7-116.0 -92.8 4.5 9.6 -4.8 12.3 72 73 A H T < 5S+ 0 0 140 -3,-0.9 -3,-0.2 2,-0.2 -4,-0.1 0.597 74.6 134.6 68.2 18.5 9.0 -8.4 11.2 73 74 A I S S- 0 0 127 1,-0.1 3,-1.8 0, 0.0 4,-0.5 -0.997 76.6-138.7-129.3 134.2 -3.8 -19.9 34.0 91 92 A D G > S+ 0 0 117 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.700 96.8 72.6 -64.4 -21.2 -3.1 -22.8 31.6 92 93 A A G 3 S+ 0 0 31 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.680 101.3 46.5 -61.6 -20.4 -3.9 -20.7 28.5 93 94 A W G < S+ 0 0 31 -3,-1.8 2,-0.7 1,-0.2 -1,-0.2 0.598 95.1 77.4 -95.3 -19.3 -0.6 -19.0 29.1 94 95 A N S < S+ 0 0 21 -3,-0.7 2,-0.3 -4,-0.5 -1,-0.2 -0.260 92.3 53.4 -91.2 45.8 1.4 -22.1 29.7 95 96 A K S S- 0 0 118 -2,-0.7 -11,-0.1 -3,-0.2 2,-0.0 -0.918 99.2 -58.7-157.7 176.4 1.7 -23.2 26.1 96 97 A E - 0 0 109 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.304 54.5-162.1 -56.9 144.8 2.8 -22.0 22.7 97 98 A Q B -P 81 0D 4 -16,-2.3 -16,-2.5 -18,-0.0 2,-0.3 -0.916 15.1-163.4-130.2 156.1 1.0 -18.8 21.4 98 99 A D > - 0 0 49 -2,-0.3 4,-2.5 -18,-0.2 5,-0.3 -0.767 49.9 -86.7-121.1-178.2 0.4 -17.1 18.1 99 100 A L H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.878 126.2 50.5 -54.8 -43.4 -0.8 -13.4 17.7 100 101 A N H > S+ 0 0 66 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 114.4 39.6 -62.2 -50.7 -4.4 -14.5 17.9 101 102 A T H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.827 116.5 52.5 -71.5 -32.9 -4.3 -16.6 21.1 102 103 A A H X>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 4,-0.5 0.882 112.5 43.8 -68.8 -41.0 -1.9 -14.2 22.7 103 104 A M H ><5S+ 0 0 5 -4,-2.3 3,-0.6 -5,-0.3 -2,-0.2 0.933 114.8 50.1 -68.8 -45.3 -4.2 -11.2 22.0 104 105 A Q H 3<5S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.838 120.5 33.7 -60.4 -39.1 -7.3 -13.1 23.1 105 106 A N H 3<5S- 0 0 67 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.396 105.3-124.5-102.6 5.2 -5.9 -14.3 26.4 106 107 A S T <<5 - 0 0 22 -3,-0.6 2,-0.9 -4,-0.5 -3,-0.2 0.876 34.1-167.4 58.4 45.1 -3.8 -11.2 27.0 107 108 A V >>< - 0 0 0 -5,-1.9 4,-1.3 -6,-0.2 3,-0.8 -0.544 8.7-164.6 -76.2 101.3 -0.6 -13.2 27.4 108 109 A N H 3> S+ 0 0 44 -2,-0.9 4,-2.4 1,-0.2 5,-0.2 0.840 81.6 57.6 -55.0 -40.7 1.9 -10.8 28.8 109 110 A W H 3> S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.811 102.1 55.2 -68.8 -30.8 5.0 -12.9 28.1 110 111 A Y H <> S+ 0 0 0 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.954 112.9 41.6 -62.0 -50.5 4.3 -13.0 24.4 111 112 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.811 111.3 55.3 -72.2 -31.1 4.2 -9.2 24.2 112 113 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.885 105.9 53.1 -65.2 -40.9 7.2 -8.7 26.5 113 114 A R H X S+ 0 0 74 -4,-2.0 4,-0.7 2,-0.2 -2,-0.2 0.864 110.4 48.2 -62.1 -36.2 9.2 -10.9 24.1 114 115 A I H >< S+ 0 0 0 -4,-1.5 3,-1.4 2,-0.2 -2,-0.2 0.975 111.5 48.6 -63.4 -54.6 8.1 -8.6 21.3 115 116 A S H >< S+ 0 0 3 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.824 103.7 61.4 -52.7 -42.5 9.0 -5.4 23.2 116 117 A D H 3< S+ 0 0 133 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.748 103.4 50.7 -54.6 -29.4 12.4 -6.8 24.1 117 118 A Q T << S+ 0 0 110 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.306 94.1 90.8 -92.4 6.5 13.3 -7.0 20.4 118 119 A I S < S- 0 0 5 -3,-1.7 2,-0.1 -4,-0.1 -50,-0.0 -0.926 76.9-129.0-110.3 121.9 12.3 -3.4 19.8 119 120 A P >> - 0 0 47 0, 0.0 4,-1.6 0, 0.0 3,-0.9 -0.456 17.7-124.4 -69.2 142.4 14.9 -0.7 20.1 120 121 A K H 3> S+ 0 0 109 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.827 107.3 57.9 -54.2 -37.7 13.9 2.3 22.3 121 122 A N H 3> S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 104.0 50.7 -68.9 -33.0 14.5 4.8 19.6 122 123 A Y H <> S+ 0 0 24 -3,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.932 110.6 50.1 -66.7 -46.8 12.0 3.2 17.2 123 124 A T H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.922 109.7 51.3 -57.7 -45.4 9.3 3.2 20.0 124 125 A A H X S+ 0 0 50 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.857 111.4 47.5 -57.4 -43.0 10.0 6.9 20.7 125 126 A T H X S+ 0 0 64 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.883 113.1 48.6 -65.6 -41.5 9.6 7.7 17.0 126 127 A Q H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.961 110.5 49.0 -66.7 -45.0 6.4 5.7 16.8 127 128 A L H X>S+ 0 0 1 -4,-3.1 5,-2.6 1,-0.2 4,-0.8 0.839 112.1 51.0 -63.8 -32.1 4.8 7.3 19.9 128 129 A K H <5S+ 0 0 145 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.907 113.1 42.8 -67.6 -47.8 5.7 10.7 18.6 129 130 A Q H <5S+ 0 0 127 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.843 119.1 45.1 -70.8 -37.6 4.1 10.2 15.1 130 131 A L H <5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.650 103.0-132.4 -74.7 -17.0 1.1 8.5 16.7 131 132 A N T <5 - 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