==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-07 3BFG . COMPND 2 MOLECULE: CLASS A BETA-LACTAMASE SED1; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SEDLAKII; . AUTHOR L.PERNOT,S.PETRELLA,W.SOUGAKOFF . 1048 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 766 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 41 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 151 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 0 0 0 0 0 0 8 6 13 3 2 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 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 . 1 4 2 2 4 0 4 4 4 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 . 7 1 0 4 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 26 A V > 0 0 135 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 102.1 -15.1 10.8 44.3 2 27 A Q T 3> + 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.390 360.0 91.7 -83.9 3.3 -17.6 10.6 41.6 3 28 A Q H 3> S+ 0 0 129 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 87.3 49.7 -59.4 -46.1 -16.5 14.1 40.5 4 29 A V H <> S+ 0 0 30 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.891 107.8 53.6 -59.1 -42.5 -14.1 12.3 38.2 5 30 A Q H > S+ 0 0 59 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.919 109.8 47.0 -59.7 -45.5 -16.9 10.2 36.9 6 31 A K H X S+ 0 0 139 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 112.8 49.6 -63.4 -43.3 -19.0 13.2 36.0 7 32 A K H X S+ 0 0 112 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.895 112.1 47.3 -63.9 -40.8 -16.1 14.9 34.4 8 33 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.940 111.4 51.3 -65.2 -46.9 -15.2 11.8 32.3 9 34 A A H X S+ 0 0 39 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.890 112.8 45.9 -56.8 -41.4 -18.9 11.4 31.2 10 35 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.883 110.1 54.0 -70.1 -38.9 -19.0 15.1 30.2 11 36 A L H X S+ 0 0 32 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.931 111.8 45.1 -59.6 -46.4 -15.7 14.8 28.3 12 37 A E H X>S+ 0 0 16 -4,-2.7 4,-1.6 2,-0.2 5,-1.0 0.943 112.9 49.0 -63.2 -50.6 -17.0 11.8 26.4 13 38 A K H <5S+ 0 0 183 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.903 113.3 47.7 -56.6 -43.6 -20.4 13.4 25.6 14 39 A Q H <5S+ 0 0 166 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 109.6 53.7 -69.4 -27.5 -18.6 16.6 24.4 15 40 A S H <5S- 0 0 18 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.744 99.4-137.4 -78.9 -25.5 -16.2 14.6 22.3 16 41 A G T <5S+ 0 0 50 -4,-1.6 -3,-0.2 1,-0.3 2,-0.1 0.653 70.2 88.7 76.8 14.2 -19.0 12.8 20.5 17 42 A G S >> -AB 231 30A 23 5,-2.6 4,-2.1 -2,-0.5 3,-1.1 -0.875 1.8-162.3 -97.5 107.6 -3.2 3.4 41.6 26 51 A T T 345S+ 0 0 23 204,-2.1 -1,-0.1 -2,-0.8 205,-0.1 0.559 79.8 79.5 -69.1 -5.1 -0.5 1.0 42.9 27 52 A A T 345S- 0 0 67 203,-0.3 -1,-0.2 202,-0.3 204,-0.1 0.900 125.9 -9.1 -67.7 -39.8 -0.4 2.9 46.2 28 53 A D T <45S- 0 0 103 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.232 95.5-109.9-141.7 8.9 -3.6 1.2 47.4 29 54 A N T <5 + 0 0 91 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.673 64.5 153.3 65.4 20.0 -4.8 -0.7 44.3 30 55 A S E < -B 25 0A 48 -5,-0.6 -5,-2.6 -6,-0.1 2,-0.3 -0.418 28.9-149.3 -75.0 156.7 -7.8 1.6 43.9 31 56 A Q E -B 24 0A 89 -7,-0.2 2,-0.5 -2,-0.1 -7,-0.2 -0.948 18.3-151.7-133.0 151.7 -9.2 2.0 40.3 32 57 A V E -B 23 0A 29 -9,-1.8 -9,-2.1 -2,-0.3 2,-0.4 -0.981 30.2-173.0-118.8 113.7 -10.9 4.7 38.2 33 59 A L E +B 22 0A 57 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.915 22.6 167.0-119.0 139.3 -13.1 3.0 35.6 34 60 A Y E S-B 21 0A 28 -13,-2.2 -13,-2.6 -2,-0.4 4,-0.1 -0.873 88.5 -25.5-147.0 106.9 -15.1 4.2 32.7 35 61 A R S > S+ 0 0 95 -2,-0.3 3,-1.5 -15,-0.2 123,-0.1 0.820 89.3 156.6 54.4 31.5 -16.3 1.6 30.2 36 62 A A T 3 + 0 0 4 1,-0.3 122,-2.2 -15,-0.2 123,-0.5 0.616 66.6 46.4 -63.6 -15.5 -13.3 -0.3 31.5 37 63 A D T 3 S+ 0 0 127 119,-0.1 -1,-0.3 120,-0.1 2,-0.2 0.391 91.2 99.9-107.9 1.7 -14.8 -3.7 30.6 38 64 A E S < S- 0 0 67 -3,-1.5 2,-0.3 1,-0.1 120,-0.1 -0.551 77.3-110.7 -84.9 154.0 -15.8 -2.7 27.0 39 65 A R + 0 0 72 -2,-0.2 2,-0.3 117,-0.2 117,-0.2 -0.663 34.5 179.6 -90.0 141.3 -13.7 -3.7 24.0 40 66 A F E -E 155 0B 2 115,-2.5 115,-1.6 -2,-0.3 2,-0.2 -0.981 37.7-101.9-135.8 145.4 -11.7 -1.1 22.0 41 67 A A E -E 154 0B 13 -2,-0.3 113,-0.3 113,-0.2 112,-0.1 -0.506 30.0-147.7 -67.1 136.3 -9.5 -1.7 19.0 42 68 A M > - 0 0 1 111,-2.2 3,-1.9 -2,-0.2 -1,-0.1 0.731 21.6-179.4 -80.7 -24.7 -5.9 -1.5 20.2 43 69 A a G > S- 0 0 1 100,-0.5 3,-1.4 110,-0.4 4,-0.2 -0.272 73.9 -12.2 53.7-139.9 -4.1 0.0 17.2 44 70 A S G > S+ 0 0 11 1,-0.3 3,-1.9 2,-0.1 -1,-0.3 0.674 123.0 81.5 -66.9 -10.2 -0.4 0.4 17.9 45 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.5 0.694 76.5 70.7 -69.7 -14.6 -0.8 -0.2 21.6 46 72 A S G <> S+ 0 0 2 -3,-1.4 4,-1.8 1,-0.3 3,-0.4 0.706 79.6 80.6 -70.2 -18.4 -0.9 -4.0 20.9 47 73 A K H <> S+ 0 0 0 -3,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.708 82.7 62.2 -60.9 -21.2 2.8 -3.5 20.2 48 74 A V H <> S+ 0 0 0 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.922 104.7 43.6 -72.4 -45.1 3.5 -3.6 23.9 49 75 A M H > S+ 0 0 0 -4,-0.5 4,-1.5 -3,-0.4 -2,-0.2 0.885 115.6 52.4 -66.3 -35.6 2.2 -7.1 24.4 50 76 A T H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.938 110.5 43.9 -65.4 -49.0 4.1 -8.1 21.3 51 77 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 111.8 56.2 -64.1 -36.7 7.5 -6.7 22.3 52 78 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.820 100.9 57.3 -65.3 -31.0 6.9 -8.2 25.8 53 79 A A H X S+ 0 0 7 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.887 107.7 47.6 -67.5 -37.2 6.5 -11.7 24.2 54 80 A V H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.930 110.2 51.7 -68.1 -44.4 9.9 -11.3 22.6 55 81 A L H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.884 105.0 57.5 -58.6 -37.9 11.4 -10.2 26.0 56 82 A K H >X S+ 0 0 64 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.924 104.0 52.0 -59.0 -44.3 9.8 -13.3 27.6 57 83 A Q H >X S+ 0 0 53 -4,-1.6 4,-3.1 1,-0.3 3,-1.9 0.914 99.8 62.9 -57.8 -44.6 11.7 -15.5 25.2 58 84 A S H 3< S+ 0 0 16 -4,-1.8 -1,-0.3 1,-0.3 5,-0.2 0.653 89.1 71.4 -57.4 -16.1 15.0 -13.8 26.1 59 85 A E H << S+ 0 0 67 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.872 117.8 17.3 -68.1 -35.9 14.5 -15.1 29.6 60 86 A T H << S+ 0 0 115 -3,-1.9 2,-0.8 -4,-0.5 -2,-0.2 0.771 119.4 66.7-103.8 -38.1 15.3 -18.6 28.4 61 87 A H S >< S- 0 0 100 -4,-3.1 3,-1.1 -5,-0.1 4,-0.3 -0.789 84.2-137.2 -90.0 109.4 17.0 -18.0 25.1 62 88 A D T 3 S- 0 0 162 -2,-0.8 -3,-0.1 1,-0.2 -4,-0.0 -0.450 78.1 -1.6 -71.2 132.7 20.3 -16.3 25.8 63 89 A G T > S+ 0 0 37 -5,-0.2 3,-2.5 -2,-0.2 4,-0.3 0.489 83.7 135.4 70.3 3.9 21.2 -13.4 23.5 64 90 A I G X + 0 0 4 -3,-1.1 3,-2.1 1,-0.3 29,-0.4 0.833 64.2 66.2 -52.2 -33.5 18.1 -13.8 21.4 65 91 A L G 3 S+ 0 0 25 1,-0.3 29,-2.2 -4,-0.3 30,-0.3 0.694 98.7 53.0 -62.9 -18.9 17.7 -10.0 21.5 66 92 A Q G < S+ 0 0 122 -3,-2.5 -1,-0.3 26,-0.2 -2,-0.2 0.391 82.5 120.4 -95.3 -0.7 20.9 -9.7 19.5 67 93 A Q < - 0 0 92 -3,-2.1 26,-1.3 -4,-0.3 2,-0.2 -0.409 60.2-127.9 -66.1 139.4 19.6 -12.0 16.8 68 94 A K E -F 92 0C 150 24,-0.2 2,-0.3 -2,-0.1 24,-0.2 -0.609 23.2-174.1 -97.0 152.6 19.4 -10.4 13.4 69 95 A M E -F 91 0C 41 22,-1.6 22,-1.9 -2,-0.2 2,-0.3 -0.987 25.5-122.2-138.0 142.2 16.7 -10.1 10.8 70 96 A T E -F 90 0C 69 -2,-0.3 2,-0.6 20,-0.2 20,-0.2 -0.631 15.2-142.0 -88.6 145.9 17.0 -8.7 7.3 71 97 A I - 0 0 0 18,-2.8 17,-3.9 15,-0.5 2,-0.3 -0.933 21.1-168.9-109.8 113.0 14.9 -5.8 6.1 72 98 A K >> - 0 0 91 -2,-0.6 3,-2.6 15,-0.2 4,-0.9 -0.728 36.6-115.8-102.6 152.7 13.7 -6.1 2.5 73 99 A K T 34 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.3 14,-0.1 0.646 118.5 59.8 -57.6 -12.3 12.1 -3.4 0.3 74 100 A A T 34 S+ 0 0 91 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.632 93.6 61.9 -91.0 -16.9 9.2 -5.8 0.4 75 101 A D T <4 S+ 0 0 51 -3,-2.6 -2,-0.2 2,-0.0 -1,-0.2 0.794 77.9 112.9 -78.5 -28.1 8.7 -5.8 4.1 76 102 A L < - 0 0 55 -4,-0.9 2,-0.1 1,-0.1 4,-0.1 -0.096 44.6-179.4 -48.8 136.4 8.0 -2.0 4.2 77 103 A T - 0 0 38 2,-0.0 3,-0.2 64,-0.0 -1,-0.1 -0.179 50.4 -62.2-116.0-150.4 4.4 -1.1 5.2 78 104 A N S S+ 0 0 107 1,-0.2 2,-0.2 -2,-0.1 -2,-0.1 0.506 124.7 32.3 -81.3 -4.8 2.5 2.1 5.5 79 105 A W + 0 0 136 1,-0.0 27,-2.1 2,-0.0 28,-0.9 -0.760 58.2 149.5-156.9 104.8 4.8 3.4 8.3 80 106 A N > + 0 0 16 -2,-0.2 4,-1.9 -3,-0.2 5,-0.2 -0.367 7.0 155.7-134.0 56.6 8.6 2.6 8.5 81 107 A P T 4 S+ 0 0 23 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.849 87.0 19.2 -51.7 -38.6 10.3 5.6 10.1 82 108 A V T >4 S+ 0 0 21 -3,-0.1 3,-2.1 2,-0.1 4,-0.2 0.876 122.9 53.3 -98.3 -53.0 13.2 3.4 11.3 83 109 A T G >4 S+ 0 0 0 1,-0.3 3,-2.8 2,-0.2 4,-0.1 0.823 97.2 66.8 -54.7 -36.2 13.1 0.3 9.2 84 110 A E G >< S+ 0 0 111 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.733 93.5 63.0 -59.9 -18.7 13.2 2.2 6.0 85 111 A K G < S+ 0 0 115 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.554 105.1 46.2 -81.4 -8.3 16.7 3.3 7.0 86 112 A Y G X + 0 0 25 -3,-2.8 3,-2.8 -4,-0.2 -15,-0.5 0.136 69.4 148.8-120.8 20.5 17.8 -0.4 6.9 87 113 A V T < S+ 0 0 57 -3,-0.7 -15,-0.2 1,-0.3 3,-0.1 -0.401 80.9 16.0 -59.4 115.1 16.3 -1.6 3.5 88 114 A G T 3 S+ 0 0 35 -17,-3.9 -1,-0.3 1,-0.4 2,-0.2 0.208 120.7 71.3 106.1 -14.8 18.9 -4.2 2.5 89 115 A N S < S- 0 0 74 -3,-2.8 -18,-2.8 -18,-0.3 -1,-0.4 -0.443 79.8 -90.0-118.9-166.6 20.6 -4.6 5.8 90 116 A T E -F 70 0C 48 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.708 20.2-167.2-113.0 163.1 19.8 -6.1 9.3 91 117 A M E -F 69 0C 1 -22,-1.9 -22,-1.6 -2,-0.2 2,-0.1 -0.986 26.0-123.4-142.4 137.2 18.3 -5.0 12.6 92 118 A T E > -F 68 0C 23 -2,-0.3 4,-2.4 -24,-0.2 -24,-0.2 -0.344 30.6-107.7 -76.9 166.8 18.6 -7.0 15.8 93 119 A L H > S+ 0 0 1 -26,-1.3 4,-3.0 -29,-0.4 5,-0.2 0.848 122.4 54.6 -63.4 -33.0 15.4 -7.9 17.6 94 120 A A H > S+ 0 0 18 -29,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.940 109.6 45.8 -64.1 -48.0 16.2 -5.3 20.3 95 121 A E H > S+ 0 0 61 -30,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.880 114.5 49.0 -62.3 -39.3 16.5 -2.6 17.6 96 122 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 111.9 47.9 -66.8 -44.2 13.3 -3.9 16.0 97 123 A S H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.922 112.7 49.2 -61.7 -44.6 11.5 -3.9 19.4 98 124 A A H X S+ 0 0 16 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.897 110.6 51.6 -61.1 -41.5 12.8 -0.4 20.1 99 125 A A H X S+ 0 0 3 -4,-2.3 6,-2.0 1,-0.2 4,-1.5 0.903 111.7 44.6 -64.3 -42.7 11.6 0.8 16.7 100 126 A T H < S+ 0 0 0 -4,-2.4 4,-0.4 4,-0.3 -1,-0.2 0.887 120.7 40.8 -70.2 -37.8 8.1 -0.5 17.0 101 127 A L H < S+ 0 0 1 -4,-2.3 108,-0.2 -5,-0.2 -2,-0.2 0.888 123.2 33.6 -78.0 -42.1 7.7 0.8 20.6 102 128 A Q H < S+ 0 0 2 -4,-2.9 87,-1.9 -5,-0.2 -3,-0.2 0.710 137.1 19.0 -91.1 -22.2 9.4 4.2 20.3 103 129 A Y S < S- 0 0 98 -4,-1.5 -3,-0.2 -5,-0.4 3,-0.2 0.323 97.5-122.7-126.3 2.0 8.5 5.2 16.7 104 130 A S - 0 0 14 -4,-0.4 2,-0.4 -6,-0.2 -4,-0.3 0.834 39.5-172.5 58.1 35.2 5.6 2.8 16.2 105 131 A D > - 0 0 0 -6,-2.0 4,-1.5 1,-0.2 -1,-0.2 -0.449 13.9-161.1 -63.4 116.0 7.3 1.4 13.2 106 132 A N H > S+ 0 0 8 -27,-2.1 4,-2.4 -2,-0.4 34,-0.2 0.859 88.2 54.5 -67.6 -39.4 4.9 -1.0 11.5 107 133 A T H > S+ 0 0 1 -28,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.906 108.3 50.9 -61.8 -40.2 7.5 -2.9 9.5 108 134 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 107.7 53.9 -63.7 -40.2 9.3 -3.6 12.7 109 135 A M H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 3,-0.2 0.952 108.9 46.8 -59.0 -51.9 6.1 -4.9 14.3 110 136 A N H X S+ 0 0 28 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.789 108.8 57.0 -62.6 -27.3 5.5 -7.4 11.5 111 137 A K H X S+ 0 0 26 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.905 108.4 45.8 -69.2 -40.3 9.1 -8.5 11.8 112 138 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 -3,-0.2 -2,-0.2 0.891 112.6 51.2 -68.1 -39.2 8.5 -9.3 15.5 113 139 A L H X>S+ 0 0 5 -4,-2.4 5,-3.0 2,-0.2 4,-1.1 0.912 109.0 50.3 -63.2 -43.8 5.3 -11.1 14.6 114 140 A A H ><5S+ 0 0 69 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.928 111.0 50.0 -59.8 -44.9 7.0 -13.1 12.0 115 141 A H H 3<5S+ 0 0 53 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.911 112.4 46.8 -59.7 -43.9 9.7 -14.0 14.5 116 142 A L H 3<5S- 0 0 20 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.579 119.4-108.2 -76.0 -12.2 7.0 -15.0 17.1 117 143 A G T <<5S- 0 0 56 -4,-1.1 -3,-0.2 -3,-0.7 3,-0.2 0.655 72.0 -47.2 94.0 15.9 5.1 -17.1 14.5 118 144 A G S >>> S+ 0 0 29 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.771 121.8 69.2 -60.1 -28.9 -0.5 -12.8 16.2 120 146 A G H 3> S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 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0.833 107.5 56.2 -61.0 -34.2 82.9 15.7 0.1 900 137 D K H X S+ 0 0 27 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.918 108.8 46.4 -64.9 -42.1 81.2 17.0 -3.1 901 138 D L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 112.4 50.5 -65.0 -42.7 78.1 17.7 -1.1 902 139 D L H X>S+ 0 0 6 -4,-2.4 5,-3.0 1,-0.2 4,-1.1 0.911 110.3 49.6 -60.7 -43.2 80.1 19.4 1.6 903 140 D A H ><5S+ 0 0 68 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.924 111.0 50.4 -61.3 -43.2 81.9 21.5 -1.0 904 141 D H H 3<5S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.8 47.0 -62.5 -39.3 78.5 22.4 -2.5 905 142 D L H 3<5S- 0 0 22 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.609 119.1-108.7 -79.1 -12.7 77.1 23.4 0.9 906 143 D G T <<5S- 0 0 55 -4,-1.1 -3,-0.2 -3,-0.6 3,-0.2 0.644 72.3 -47.2 94.6 15.6 80.2 25.5 1.8 907 144 D G S >>> S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.800 122.7 67.3 -54.2 -35.8 80.7 21.1 7.6 909 146 D G H 3> S+ 0 0 50 1,-0.3 4,-2.1 2,-0.2 -2,-0.1 0.812 96.0 55.0 -58.8 -30.4 79.8 24.2 9.4 910 147 D N H <> S+ 0 0 75 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 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19.0-164.7-156.3 130.5 78.0 19.1 14.9 925 162 D L + 0 0 2 -17,-0.3 -13,-0.3 -2,-0.3 -14,-0.1 -0.982 19.0 161.3-116.8 127.4 80.0 18.4 11.8 926 163 D D + 0 0 64 -2,-0.5 2,-0.2 1,-0.1 -17,-0.2 0.710 54.3 32.5-118.3 -31.4 83.6 19.7 11.9 927 164 D R - 0 0 30 -19,-0.1 2,-0.1 -20,-0.1 -1,-0.1 -0.749 68.1-121.2-126.3 172.1 85.7 17.9 9.3 928 165 D K > - 0 0 95 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.387 57.9 -27.0-101.5-176.5 85.4 16.4 5.8 929 166 D E T 4 S+ 0 0 0 1,-0.3 -1,-0.1 -34,-0.2 0, 0.0 -0.566 121.5 3.7 -77.5 140.4 86.0 12.8 4.6 930 167 D P T >4 S+ 0 0 57 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.991 121.6 62.9 -99.8 0.8 87.9 10.9 5.7 931 168 D E G >4 S+ 0 0 102 1,-0.3 3,-1.4 2,-0.1 -2,-0.2 0.732 90.8 71.1 -52.7 -29.2 89.1 12.9 8.8 932 169 D L G 3< S+ 0 0 1 -4,-1.8 -100,-0.5 1,-0.3 3,-0.3 0.568 88.3 67.5 -68.2 -5.6 85.6 13.0 10.3 933 170 D N G < + 0 0 19 -3,-2.2 69,-1.5 -5,-0.2 -1,-0.3 0.246 62.3 103.4 -98.6 13.1 86.0 9.3 11.0 934 171 D T < - 0 0 35 -3,-1.4 -1,-0.2 67,-0.1 -2,-0.1 0.849 56.6-169.0 -63.7 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