==== 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 CEPHALOSPORINASE 04-JUN-98 3BLS . COMPND 2 MOLECULE: AMPC BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.C.USHER,B.K.SHOICHET,S.J.REMINGTON . 714 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 138 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 10 1.4 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 . 45 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.9 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 4 3 1 2 2 0 4 1 3 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 PARALLEL BRIDGES PER LADDER . 4 6 8 2 0 1 5 2 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 . 5 3 0 0 0 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 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 4 A A 0 0 71 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.6 23.1 -20.0 35.5 2 5 A P > - 0 0 58 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.347 360.0-112.5 -57.2 149.0 23.9 -19.9 39.2 3 6 A Q H > S+ 0 0 147 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.918 113.6 62.1 -57.2 -44.8 20.8 -18.5 40.9 4 7 A Q H >> S+ 0 0 97 1,-0.2 4,-2.8 2,-0.2 3,-0.8 0.949 107.9 43.0 -39.6 -70.3 22.5 -15.3 41.9 5 8 A I H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.911 112.8 53.5 -46.7 -48.0 23.1 -14.3 38.3 6 9 A N H 3X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.906 109.3 47.7 -53.2 -45.7 19.7 -15.4 37.3 7 10 A D H X S+ 0 0 0 -4,-2.7 4,-3.6 1,-0.2 3,-0.6 0.978 116.6 45.4 -60.9 -58.0 19.4 -10.4 35.5 10 13 A H H 3X S+ 0 0 71 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.886 110.3 54.9 -50.9 -43.9 15.9 -11.1 35.7 11 14 A R H 3< S+ 0 0 169 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.869 120.0 31.1 -57.5 -40.7 15.4 -8.5 38.5 12 15 A T H S+ 0 0 48 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.953 110.1 57.0 -53.8 -46.7 11.2 -4.2 34.2 16 19 A L H X S+ 0 0 10 -4,-1.2 4,-2.9 1,-0.2 5,-0.3 0.961 109.8 45.3 -50.7 -53.0 13.5 -2.5 31.6 17 20 A I H X>S+ 0 0 31 -4,-2.8 4,-1.7 1,-0.2 5,-1.0 0.891 112.8 50.9 -58.3 -40.6 11.7 -4.4 28.8 18 21 A E H <5S+ 0 0 153 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.947 117.0 37.9 -63.8 -46.0 8.3 -3.7 30.3 19 22 A Q H <5S+ 0 0 137 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.905 121.3 43.3 -70.5 -51.6 8.9 -0.0 30.6 20 23 A Q H <5S- 0 0 46 -4,-2.9 -2,-0.2 -5,-0.3 -1,-0.2 0.698 101.9-131.3 -71.3 -17.9 10.8 0.4 27.4 21 24 A K T <5 - 0 0 152 -4,-1.7 -3,-0.2 -5,-0.3 -4,-0.1 0.869 37.1-179.9 65.3 43.5 8.5 -1.8 25.5 22 25 A I < - 0 0 9 -5,-1.0 -1,-0.2 -6,-0.2 3,-0.1 -0.625 21.8-156.1 -79.2 130.5 11.3 -3.8 23.9 23 26 A P S S+ 0 0 29 0, 0.0 19,-3.1 0, 0.0 2,-0.3 0.857 73.1 7.1 -76.2 -35.9 10.1 -6.5 21.6 24 27 A G E +A 41 0A 2 17,-0.3 314,-0.9 19,-0.1 2,-0.4 -0.995 63.6 173.9-144.7 152.8 13.2 -8.8 21.9 25 28 A M E -AB 40 337A 0 15,-2.4 15,-2.7 -2,-0.3 2,-0.4 -0.992 12.7-168.1-162.7 142.9 16.3 -8.9 23.8 26 29 A A E -AB 39 336A 0 310,-1.9 310,-2.5 -2,-0.4 2,-0.4 -0.994 13.5-175.2-126.7 142.1 19.2 -11.1 24.4 27 30 A V E -AB 38 335A 0 11,-4.3 11,-2.3 -2,-0.4 2,-0.4 -0.976 8.3-167.2-133.5 150.5 21.7 -10.6 27.2 28 31 A A E -AB 37 334A 0 306,-1.9 306,-1.3 -2,-0.4 2,-0.5 -0.982 6.0-158.9-134.4 133.0 24.9 -12.2 28.1 29 32 A V E -AB 36 333A 0 7,-3.2 7,-1.8 -2,-0.4 2,-0.9 -0.906 8.2-151.7-106.0 133.9 26.8 -11.9 31.3 30 33 A I E +AB 35 332A 0 302,-3.5 302,-1.5 -2,-0.5 2,-0.6 -0.854 23.4 178.0-101.7 106.0 30.4 -12.7 31.4 31 34 A Y E > -AB 34 331A 51 3,-3.9 3,-1.3 -2,-0.9 300,-0.2 -0.922 67.8 -15.9-113.0 123.5 31.2 -13.9 34.9 32 35 A Q T 3 S- 0 0 119 298,-0.7 -1,-0.2 -2,-0.6 299,-0.2 0.899 130.4 -54.7 52.7 35.5 34.6 -15.1 35.9 33 36 A G T 3 S+ 0 0 27 297,-1.7 -1,-0.3 1,-0.2 298,-0.1 0.660 119.1 108.6 72.4 18.7 35.2 -15.4 32.2 34 37 A K E < -A 31 0A 134 -3,-1.3 -3,-3.9 296,-0.2 2,-0.4 -0.973 61.6-131.9-127.5 137.3 32.3 -17.6 31.6 35 38 A P E -A 30 0A 30 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.770 15.5-171.0 -99.7 147.4 29.1 -16.5 29.7 36 39 A Y E -A 29 0A 50 -7,-1.8 -7,-3.2 -2,-0.4 2,-0.3 -0.997 16.3-149.3-134.2 123.3 25.6 -16.9 30.7 37 40 A Y E -A 28 0A 67 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.790 15.6-179.7-104.6 148.0 22.8 -16.1 28.2 38 41 A F E -A 27 0A 18 -11,-2.3 -11,-4.3 -2,-0.3 2,-0.3 -0.994 4.9-175.5-143.9 137.1 19.3 -14.8 28.5 39 42 A T E -A 26 0A 54 -2,-0.3 2,-0.3 -13,-0.3 -13,-0.3 -0.924 1.5-178.2-131.5 155.3 16.8 -14.1 25.8 40 43 A W E -A 25 0A 43 -15,-2.7 -15,-2.4 -2,-0.3 11,-0.1 -1.000 40.3 -13.4-150.9 150.8 13.4 -12.7 25.8 41 44 A G E S-A 24 0A 38 -2,-0.3 10,-2.1 -17,-0.2 2,-0.3 -0.243 85.4 -20.0 69.3-152.8 10.6 -11.9 23.4 42 45 A Y E -I 50 0B 107 -19,-3.1 3,-0.2 8,-0.3 296,-0.2 -0.799 18.4-173.4-109.7 148.5 10.5 -11.7 19.7 43 46 A A E S+ 0 0 6 6,-3.4 155,-2.3 1,-0.3 2,-0.3 0.711 98.7 18.6 -97.7 -26.0 12.8 -11.3 16.8 44 47 A D E > -I 49 0B 18 5,-1.7 5,-2.7 153,-0.2 -1,-0.3 -0.850 65.2-169.4-151.0 104.6 9.9 -11.0 14.6 45 48 A I T > 5S+ 0 0 76 -2,-0.3 3,-0.6 3,-0.2 -1,-0.1 0.792 83.8 57.4 -63.6 -42.2 6.6 -10.2 16.0 46 49 A A T 3 5S+ 0 0 64 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.859 118.4 31.4 -58.5 -44.1 4.6 -11.0 12.9 47 50 A K T 3 5S- 0 0 132 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.321 108.4-124.9 -99.3 7.4 5.7 -14.5 12.5 48 51 A K T < 5 + 0 0 138 -3,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.903 49.6 165.1 46.1 49.6 6.1 -14.8 16.3 49 52 A Q E < -I 44 0B 105 -5,-2.7 -6,-3.4 1,-0.0 -5,-1.7 -0.861 27.6-135.8 -94.8 128.3 9.7 -15.8 16.0 50 53 A P E -I 42 0B 58 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.471 18.6 -99.5 -84.7 162.5 11.5 -15.6 19.3 51 54 A V + 0 0 5 -10,-2.1 2,-0.2 -2,-0.2 -12,-0.1 -0.565 49.8 169.7 -77.1 129.5 14.8 -14.3 20.2 52 55 A T > - 0 0 43 -2,-0.3 3,-1.2 143,-0.1 172,-0.3 -0.770 52.6 -91.4-129.9 176.9 17.4 -17.1 20.5 53 56 A Q T 3 S+ 0 0 61 1,-0.3 172,-0.7 -2,-0.2 -2,-0.1 0.438 126.0 55.1 -73.2 3.2 21.2 -17.2 20.8 54 57 A Q T 3 S+ 0 0 100 169,-0.1 -1,-0.3 170,-0.1 2,-0.2 0.530 78.7 116.6-113.6 -12.7 21.3 -17.4 17.1 55 58 A T < - 0 0 6 -3,-1.2 169,-0.4 1,-0.1 2,-0.4 -0.347 62.2-131.9 -62.6 133.4 19.3 -14.4 16.4 56 59 A L B -j 196 0C 0 139,-3.4 141,-2.2 136,-0.2 2,-0.3 -0.734 24.0-170.8 -91.0 135.9 21.2 -11.8 14.6 57 60 A F E -K 222 0D 2 165,-3.6 165,-2.3 -2,-0.4 2,-0.6 -0.896 27.1-111.8-121.5 155.4 21.1 -8.2 15.8 58 61 A E E -K 221 0D 4 -2,-0.3 163,-0.3 163,-0.2 258,-0.2 -0.737 21.1-160.3 -84.8 122.0 22.4 -4.9 14.4 59 62 A L E > - 0 0 0 161,-2.7 3,-2.0 -2,-0.6 262,-0.2 0.589 16.0-175.4 -75.6 -18.5 25.2 -3.6 16.4 60 63 A G E > S-K 220 0D 0 160,-0.6 3,-2.0 158,-0.4 160,-0.5 -0.376 71.7 -0.4 56.8-135.2 25.0 -0.1 15.2 61 64 A S T > S+ 0 0 17 1,-0.3 3,-2.5 254,-0.2 -1,-0.3 0.589 116.2 80.4 -64.7 -20.3 27.9 1.9 16.8 62 65 A V T X> S+ 0 0 0 -3,-2.0 3,-1.8 1,-0.3 4,-0.6 0.755 77.3 76.7 -62.9 -15.9 29.2 -1.0 18.6 63 66 A S H X> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.3 3,-0.8 0.796 77.7 75.0 -59.4 -26.8 30.7 -1.8 15.2 64 67 A K H <> S+ 0 0 0 -3,-2.5 4,-2.4 153,-0.3 -1,-0.3 0.764 86.7 59.3 -59.0 -23.7 33.2 1.0 16.0 65 68 A T H <> S+ 0 0 0 -3,-1.8 4,-1.6 -4,-0.2 -1,-0.3 0.837 106.2 47.6 -67.6 -40.1 35.0 -1.4 18.4 66 69 A F H S+ 0 0 3 -4,-2.0 5,-1.4 2,-0.2 6,-0.7 0.900 111.7 48.0 -58.9 -45.5 47.1 -2.9 11.0 75 78 A I H ><5S+ 0 0 15 -4,-2.6 3,-2.2 -5,-0.2 -2,-0.2 0.982 110.6 50.3 -61.3 -49.9 49.2 -0.8 13.3 76 79 A A H 3<5S+ 0 0 22 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 106.5 57.4 -58.0 -26.3 50.7 -3.9 14.9 77 80 A R T 3<5S- 0 0 92 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.569 113.5-118.0 -80.8 -9.9 51.4 -5.3 11.5 78 81 A G T < 5S+ 0 0 63 -3,-2.2 -3,-0.2 -4,-0.5 -2,-0.1 0.558 82.2 119.9 79.2 12.9 53.5 -2.3 10.6 79 82 A E S - 0 0 81 -2,-0.3 3,-1.4 4,-0.1 22,-0.3 -0.974 17.7-134.7-135.2 147.0 51.0 4.5 11.9 82 85 A L T 3 S+ 0 0 11 -2,-0.3 22,-2.2 1,-0.3 23,-0.3 0.674 108.1 60.0 -70.3 -22.2 48.6 6.7 13.8 83 86 A S T 3 S+ 0 0 30 575,-0.2 -1,-0.3 20,-0.2 574,-0.1 0.526 81.0 107.7 -79.8 -10.9 51.0 9.4 13.5 84 87 A D S < S- 0 0 11 -3,-1.4 19,-2.3 1,-0.1 20,-0.2 -0.566 75.6-115.7 -73.9 138.1 50.8 9.3 9.7 85 88 A P B > -M 102 0E 47 0, 0.0 3,-1.4 0, 0.0 4,-0.4 -0.342 25.4-115.9 -66.0 150.8 48.9 12.3 8.0 86 89 A T G >> S+ 0 0 0 15,-2.9 3,-1.8 12,-0.3 4,-1.1 0.818 108.9 67.6 -60.4 -35.3 45.8 11.3 6.2 87 90 A T G 34 S+ 0 0 45 11,-0.3 -1,-0.3 14,-0.3 6,-0.1 0.737 82.5 72.7 -61.8 -23.2 47.1 12.3 2.9 88 91 A K G <4 S+ 0 0 121 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.819 110.7 32.6 -60.6 -27.1 49.7 9.6 2.9 89 92 A Y T <4 S+ 0 0 30 -3,-1.8 -2,-0.2 -4,-0.4 -1,-0.2 0.582 131.5 32.3-106.7 -11.2 46.8 7.2 2.3 90 93 A W >< + 0 0 24 -4,-1.1 3,-2.3 3,-0.1 -1,-0.2 -0.569 66.5 172.1-146.2 68.9 44.5 9.5 0.3 91 94 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.557 73.9 66.9 -53.9 -18.8 46.9 11.7 -1.6 92 95 A E T 3 S+ 0 0 113 1,-0.1 2,-2.1 2,-0.1 3,-0.2 0.663 73.0 95.5 -78.6 -20.8 44.1 13.2 -3.7 93 96 A L < + 0 0 3 -3,-2.3 -3,-0.1 1,-0.2 -1,-0.1 -0.578 53.0 153.7 -71.5 81.4 42.9 14.7 -0.5 94 97 A T + 0 0 111 -2,-2.1 -1,-0.2 3,-0.0 -2,-0.1 0.620 17.7 118.6 -94.3 -19.3 44.8 17.9 -1.5 95 98 A A S > S- 0 0 20 -3,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.159 72.7-116.3 -57.5 147.6 43.1 20.7 0.3 96 99 A K G > S+ 0 0 185 1,-0.2 3,-1.5 2,-0.2 4,-0.2 0.779 108.4 66.5 -53.2 -36.4 45.0 22.8 2.9 97 100 A Q G 3 S+ 0 0 26 1,-0.3 3,-0.4 36,-0.2 -1,-0.2 0.824 91.4 63.0 -50.7 -45.5 42.7 21.7 5.8 98 101 A W G X S+ 0 0 0 -3,-1.1 3,-1.5 1,-0.2 -11,-0.3 0.549 77.1 109.0 -61.3 -8.3 44.0 18.2 5.6 99 102 A N T < S+ 0 0 128 -3,-1.5 -1,-0.2 1,-0.3 -12,-0.2 0.822 88.2 11.3 -37.4 -77.5 47.3 19.4 6.4 100 103 A G T 3 S+ 0 0 46 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 0.037 90.7 123.0 -99.1 25.1 48.1 18.3 9.8 101 104 A I < - 0 0 1 -3,-1.5 -15,-2.9 -4,-0.1 -14,-0.3 -0.791 42.4-168.3 -89.3 120.1 45.3 15.8 10.3 102 105 A T B > -M 85 0E 21 -2,-0.7 4,-1.7 -17,-0.3 3,-0.3 -0.465 38.5-100.5-100.0 171.4 46.7 12.3 11.2 103 106 A L H > S+ 0 0 0 -19,-2.3 4,-2.8 -22,-0.3 5,-0.2 0.880 123.3 60.1 -55.3 -40.8 45.1 8.8 11.4 104 107 A L H > S+ 0 0 13 -22,-2.2 4,-1.4 -20,-0.2 6,-0.3 0.921 102.9 50.6 -54.8 -45.0 45.0 9.3 15.1 105 108 A H H >>S+ 0 0 26 -23,-0.3 5,-2.4 -3,-0.3 6,-0.6 0.932 113.1 45.0 -59.7 -46.0 42.8 12.4 14.7 106 109 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.941 110.8 51.4 -60.4 -54.9 40.3 10.6 12.5 107 110 A A H 3<5S+ 0 0 0 -4,-2.8 160,-0.4 1,-0.2 -1,-0.2 0.705 116.6 41.9 -57.0 -24.3 40.1 7.5 14.6 108 111 A T H 3<5S- 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.277 107.8-112.5-112.7 11.8 39.4 9.6 17.8 109 112 A Y T <<5S+ 0 0 3 -3,-1.2 37,-2.9 -4,-0.5 3,-0.2 0.778 86.2 114.2 63.4 27.4 37.0 12.3 16.6 110 113 A T < + 0 0 0 -5,-2.4 32,-3.4 -6,-0.3 33,-0.4 0.085 30.9 109.2-114.9 23.8 39.6 15.0 17.1 111 114 A A S S- 0 0 1 -6,-0.6 -1,-0.1 30,-0.2 -5,-0.1 0.781 98.6 -87.2 -66.5 -31.1 40.1 16.1 13.6 112 115 A G S S- 0 0 0 32,-0.4 26,-1.9 -3,-0.2 27,-1.5 0.716 90.0 -27.4 128.7 35.4 38.3 19.5 14.1 113 116 A G + 0 0 17 31,-0.3 23,-0.1 -4,-0.2 3,-0.1 0.698 69.8 171.4 106.2 27.8 34.7 19.1 13.5 114 117 A L - 0 0 4 1,-0.1 -1,-0.2 32,-0.1 37,-0.2 -0.456 46.1 -97.5 -66.9 141.1 34.0 16.2 11.0 115 118 A P - 0 0 41 0, 0.0 35,-1.3 0, 0.0 36,-0.3 -0.130 15.1-125.4 -65.5 150.8 30.3 15.6 10.9 116 119 A L S S+ 0 0 75 32,-0.3 33,-2.9 33,-0.2 34,-0.4 0.950 96.3 30.1 -54.9 -48.4 28.5 13.0 12.8 117 120 A Q S S- 0 0 72 32,-0.2 -1,-0.1 31,-0.1 3,-0.0 -0.887 79.5-120.8-116.3 151.7 27.0 11.7 9.6 118 121 A V - 0 0 5 -2,-0.4 94,-0.1 94,-0.3 10,-0.0 -0.710 50.1 -99.9 -82.9 127.7 28.0 11.5 5.9 119 122 A P > - 0 0 40 0, 0.0 3,-1.8 0, 0.0 93,-0.2 -0.180 23.7-131.2 -51.8 136.6 25.5 13.3 3.9 120 123 A D T 3 S+ 0 0 141 1,-0.3 -2,-0.0 91,-0.1 92,-0.0 0.707 106.8 63.9 -66.1 -19.4 22.9 11.0 2.2 121 124 A E T 3 S+ 0 0 148 2,-0.1 2,-0.7 6,-0.0 -1,-0.3 0.673 81.2 94.3 -79.4 -10.9 23.4 12.7 -1.0 122 125 A V < + 0 0 19 -3,-1.8 90,-0.4 1,-0.2 3,-0.1 -0.735 44.4 139.2 -80.4 116.7 27.0 11.5 -0.9 123 126 A K + 0 0 181 -2,-0.7 -1,-0.2 88,-0.1 -2,-0.1 0.661 45.3 55.2-117.5 -70.5 27.1 8.2 -2.9 124 127 A S S > S- 0 0 48 1,-0.1 4,-2.2 88,-0.1 5,-0.1 -0.028 85.7-105.9 -64.4 170.3 30.1 7.7 -5.2 125 128 A S H > S+ 0 0 103 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.743 124.3 56.3 -68.2 -22.7 33.7 7.7 -4.5 126 129 A S H > S+ 0 0 69 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.924 104.1 50.0 -73.1 -45.0 33.7 11.1 -6.2 127 130 A D H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.906 110.3 53.8 -58.1 -43.4 31.0 12.5 -3.9 128 131 A L H X S+ 0 0 31 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.970 106.9 47.0 -56.5 -61.4 33.1 11.3 -1.0 129 132 A L H X S+ 0 0 47 -4,-1.9 4,-3.5 1,-0.2 5,-0.3 0.907 113.2 49.8 -51.4 -43.3 36.3 13.0 -2.0 130 133 A R H X S+ 0 0 130 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.942 107.8 54.5 -58.5 -48.2 34.5 16.2 -2.7 131 134 A F H X S+ 0 0 36 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.930 114.0 41.2 -52.7 -47.6 32.8 16.0 0.6 132 135 A Y H < S+ 0 0 0 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.889 114.3 49.4 -68.4 -45.7 36.2 15.7 2.3 133 136 A Q H < S+ 0 0 39 -4,-3.5 -1,-0.2 1,-0.2 -36,-0.2 0.818 115.0 45.4 -61.0 -37.1 38.0 18.2 0.2 134 137 A N H < S+ 0 0 112 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.676 84.7 113.1 -87.6 -12.4 35.4 20.8 0.8 135 138 A W < - 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