==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JAN-01 1HZO . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS VULGARIS; . AUTHOR M.NUKAGA,G.V.CRICHLOW,A.P.KUZIN,K.MAYAMA,J.R.KNOX . 528 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22922.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.7 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 . 76 14.4 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 . 2 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 . 12 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 4 2 6 1 1 0 2 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 . 0 4 0 0 3 0 1 2 2 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 27 A N > 0 0 143 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-165.6 51.1 55.0 26.6 2 28 A T H > + 0 0 92 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 360.0 49.8 -71.7 -44.8 52.0 57.9 28.9 3 29 A I H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.915 110.0 54.2 -59.0 -41.5 48.5 59.4 29.1 4 30 A E H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.936 111.4 42.7 -56.3 -51.8 47.3 55.9 29.9 5 31 A E H X S+ 0 0 130 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.858 112.1 55.1 -65.9 -35.9 49.7 55.5 32.8 6 32 A Q H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.891 109.3 46.4 -65.3 -39.6 49.0 59.1 34.0 7 33 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.864 111.5 51.2 -71.2 -34.9 45.3 58.4 34.2 8 34 A N H X S+ 0 0 49 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.928 112.3 47.8 -65.2 -42.0 45.9 55.1 36.0 9 35 A T H X S+ 0 0 74 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.886 109.7 51.9 -64.5 -41.5 48.1 57.1 38.5 10 36 A L H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 109.0 51.3 -62.2 -41.7 45.4 59.8 38.9 11 37 A E H X>S+ 0 0 16 -4,-2.3 4,-1.4 2,-0.2 5,-0.7 0.913 108.4 50.5 -62.6 -43.0 42.9 57.1 39.7 12 38 A K H <5S+ 0 0 137 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.933 111.8 48.6 -59.6 -45.2 45.1 55.6 42.3 13 39 A Y H <5S+ 0 0 146 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.878 109.3 53.2 -61.0 -38.8 45.5 59.0 43.8 14 40 A S H <5S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.729 93.5-144.8 -69.7 -25.8 41.8 59.6 43.7 15 41 A Q T <5S+ 0 0 174 -4,-1.4 224,-0.3 -3,-0.5 -3,-0.1 0.578 71.5 79.5 67.4 13.0 41.0 56.3 45.6 16 42 A G S >> -AB 230 29A 15 5,-2.8 5,-1.7 -2,-0.5 4,-0.7 -0.907 3.9-166.2-105.1 108.7 39.9 64.5 18.9 25 51 A T T 345S+ 0 0 42 204,-1.9 205,-0.1 -2,-0.7 -1,-0.1 0.568 78.3 76.9 -73.9 -6.1 38.2 65.6 15.7 26 52 A E T 345S+ 0 0 119 202,-0.3 -1,-0.2 203,-0.2 204,-0.1 0.925 123.0 4.3 -67.3 -42.5 41.4 66.8 14.2 27 53 A D T <45S- 0 0 94 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.137 102.0-113.9-127.3 17.1 42.5 63.2 13.4 28 54 A N T <5 + 0 0 128 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.933 67.7 144.7 46.5 57.2 39.3 61.3 14.6 29 55 A S E < -B 24 0A 40 -5,-1.7 -5,-2.8 2,-0.0 2,-0.4 -0.774 36.5-149.3-119.0 164.0 41.2 59.6 17.4 30 56 A Q E -B 23 0A 102 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.998 7.4-162.9-140.2 141.9 40.1 58.7 20.9 31 57 A I E +B 22 0A 44 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.3 -0.994 25.5 176.6-120.3 122.4 41.9 58.4 24.2 32 59 A T E -B 21 0A 48 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.923 26.5-172.0-133.1 157.3 40.0 56.3 26.8 33 60 A Y E S-B 20 0A 16 -13,-2.4 -13,-3.0 -2,-0.3 4,-0.1 -0.937 92.4 -14.1-144.7 116.5 40.3 55.0 30.4 34 61 A R S > S+ 0 0 94 -2,-0.3 3,-1.4 -15,-0.2 123,-0.1 0.868 90.2 162.6 52.8 35.7 37.6 52.6 31.6 35 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.5 0.714 65.9 42.4 -59.1 -26.1 35.9 54.0 28.5 36 63 A E T 3 S+ 0 0 176 120,-0.2 -1,-0.3 119,-0.1 2,-0.2 0.394 89.9 108.8-103.6 2.4 33.3 51.2 28.2 37 64 A E S < S- 0 0 68 -3,-1.4 2,-0.3 1,-0.1 120,-0.1 -0.505 71.4-114.0 -80.7 148.3 32.5 50.9 31.9 38 65 A R + 0 0 97 -2,-0.2 2,-0.3 117,-0.2 117,-0.2 -0.639 35.4 177.0 -84.0 137.5 29.1 52.1 33.3 39 66 A F E -E 154 0B 1 115,-2.4 115,-1.6 -2,-0.3 2,-0.2 -0.972 40.9 -98.3-135.0 147.7 29.0 55.1 35.6 40 67 A A E -E 153 0B 10 -2,-0.3 113,-0.3 113,-0.2 196,-0.2 -0.514 32.1-151.3 -65.3 130.9 26.0 56.8 37.1 41 68 A M > - 0 0 0 111,-2.5 3,-2.0 -2,-0.2 -1,-0.2 0.793 20.8-180.0 -76.5 -29.8 25.3 59.9 34.9 42 69 A A G > S- 0 0 1 110,-0.5 3,-1.9 100,-0.5 -1,-0.2 -0.314 73.3 -13.6 56.7-144.8 23.8 62.1 37.5 43 70 A S G > S+ 0 0 7 1,-0.3 3,-1.8 167,-0.2 -1,-0.3 0.595 122.9 80.9 -63.8 -10.6 22.9 65.4 35.9 44 71 A T G X S+ 0 0 0 -3,-2.0 3,-1.2 1,-0.3 4,-0.4 0.748 79.3 73.9 -66.8 -16.0 25.0 64.7 32.8 45 72 A S G <> S+ 0 0 0 -3,-1.9 4,-1.2 1,-0.2 3,-0.5 0.710 77.5 77.9 -65.9 -19.9 21.9 62.7 31.7 46 73 A K H <> S+ 0 0 0 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.775 80.3 65.8 -62.6 -28.5 20.1 66.0 31.1 47 74 A V H <> S+ 0 0 0 -3,-1.2 4,-2.3 -4,-0.3 -1,-0.2 0.923 101.6 47.2 -62.0 -44.3 21.9 66.5 27.7 48 75 A M H > S+ 0 0 0 -3,-0.5 4,-1.7 -4,-0.4 -1,-0.2 0.879 111.3 52.3 -64.7 -37.9 20.2 63.5 26.1 49 76 A A H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -2,-0.2 0.934 111.0 45.7 -64.4 -46.2 16.8 64.6 27.4 50 77 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 109.5 56.3 -64.1 -37.9 17.2 68.1 26.0 51 78 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.863 102.9 55.1 -61.8 -35.8 18.4 66.6 22.7 52 79 A A H X S+ 0 0 10 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.882 109.0 47.6 -64.7 -37.9 15.2 64.5 22.5 53 80 A V H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.941 111.0 50.9 -67.2 -47.1 13.2 67.7 22.8 54 81 A L H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.910 109.3 51.1 -56.3 -44.5 15.3 69.4 20.2 55 82 A K H >X S+ 0 0 70 -4,-2.7 3,-1.2 1,-0.2 4,-0.5 0.915 108.6 51.5 -59.7 -43.4 14.7 66.5 17.8 56 83 A A H >X S+ 0 0 17 -4,-1.9 3,-0.9 1,-0.3 4,-0.6 0.834 102.4 60.3 -63.4 -32.4 11.0 66.7 18.4 57 84 A S H 3< S+ 0 0 13 -4,-1.9 6,-0.3 1,-0.2 -1,-0.3 0.691 89.3 74.2 -69.7 -17.0 11.1 70.4 17.5 58 85 A E H << S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.852 107.7 29.6 -64.5 -35.4 12.4 69.5 14.1 59 86 A K H << S+ 0 0 142 -3,-0.9 2,-0.4 -4,-0.5 -1,-0.2 0.433 118.0 61.0-104.2 -1.7 9.0 68.3 12.9 60 87 A Q S >< S- 0 0 92 -4,-0.6 3,-1.8 -3,-0.1 4,-0.2 -0.825 81.1-139.9-131.1 94.3 6.9 70.5 15.0 61 88 A A T 3 S+ 0 0 103 -2,-0.4 -3,-0.1 1,-0.3 -2,-0.0 -0.158 84.3 12.1 -52.2 138.7 7.3 74.3 14.4 62 89 A G T > S+ 0 0 47 -5,-0.1 3,-1.2 1,-0.1 4,-0.3 0.516 82.6 132.1 71.7 5.8 7.3 76.5 17.5 63 90 A L G X + 0 0 5 -3,-1.8 3,-1.9 -6,-0.3 29,-0.5 0.886 68.0 57.7 -56.4 -41.1 7.6 73.5 19.9 64 91 A L G 3 S+ 0 0 33 1,-0.3 29,-2.4 -4,-0.2 30,-0.4 0.771 104.7 53.0 -62.2 -23.9 10.4 75.2 21.8 65 92 A D G < S+ 0 0 121 -3,-1.2 2,-0.4 27,-0.2 -1,-0.3 0.404 78.8 121.9 -91.2 2.1 8.1 78.1 22.5 66 93 A K < - 0 0 102 -3,-1.9 26,-1.3 -4,-0.3 2,-0.3 -0.519 63.1-131.4 -68.1 122.2 5.4 75.9 23.9 67 94 A N E -F 91 0C 87 -2,-0.4 2,-0.4 24,-0.2 24,-0.3 -0.589 19.3-160.5 -79.8 135.9 4.6 77.1 27.4 68 95 A I E -F 90 0C 23 22,-2.6 22,-2.4 -2,-0.3 2,-0.2 -0.963 17.5-124.9-117.8 129.8 4.5 74.4 30.1 69 96 A T - 0 0 78 -2,-0.4 2,-0.6 20,-0.2 17,-0.1 -0.473 17.4-148.8 -73.6 143.3 2.8 75.0 33.5 70 97 A I - 0 0 2 15,-0.4 2,-0.2 16,-0.3 19,-0.1 -0.956 11.9-161.1-117.0 113.0 4.8 74.5 36.6 71 98 A K >> - 0 0 111 -2,-0.6 3,-1.8 1,-0.1 4,-0.7 -0.608 28.7-120.0 -91.0 153.6 2.9 73.3 39.6 72 99 A K G >4 S+ 0 0 164 1,-0.3 3,-0.8 -2,-0.2 -1,-0.1 0.825 115.6 60.4 -61.2 -30.4 4.2 73.6 43.2 73 100 A S G 34 S+ 0 0 109 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.624 95.7 63.8 -72.0 -12.8 3.9 69.8 43.5 74 101 A D G <4 S+ 0 0 26 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.760 78.3 108.4 -78.8 -28.3 6.4 69.6 40.5 75 102 A L << + 0 0 52 -3,-0.8 2,-0.2 -4,-0.7 3,-0.1 -0.321 44.1 173.6 -61.3 121.7 9.2 71.3 42.6 76 103 A V - 0 0 39 -2,-0.2 30,-0.3 1,-0.2 29,-0.1 -0.643 46.4 -53.1-117.0 175.8 12.0 69.0 43.6 77 104 A A S S+ 0 0 73 -2,-0.2 28,-0.3 1,-0.2 -1,-0.2 -0.225 117.9 13.2 -54.6 136.0 15.3 69.7 45.4 78 105 A Y + 0 0 143 1,-0.1 27,-2.4 27,-0.1 28,-0.3 0.996 69.0 148.2 56.8 82.4 17.4 72.3 43.6 79 106 A S > + 0 0 1 25,-0.2 4,-2.1 26,-0.2 5,-0.2 -0.485 9.2 164.7-137.7 60.6 15.2 74.1 41.1 80 107 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.783 78.6 30.4 -50.4 -36.1 16.6 77.6 41.2 81 108 A I T >4 S+ 0 0 36 2,-0.1 3,-1.7 -3,-0.1 4,-0.1 0.911 117.3 51.1 -92.9 -51.2 14.9 78.7 38.0 82 109 A T G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.1 0.828 99.8 64.2 -57.5 -36.2 11.6 76.7 37.9 83 110 A E G 3< S+ 0 0 108 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.685 99.6 56.5 -63.7 -15.3 10.6 77.7 41.4 84 111 A K G < S+ 0 0 165 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.367 101.4 58.1 -95.6 3.5 10.4 81.3 40.2 85 112 A H <> + 0 0 48 -3,-2.1 4,-2.1 -4,-0.1 -15,-0.4 -0.056 57.6 120.3-126.3 36.8 7.9 80.4 37.4 86 113 A L T 4 S+ 0 0 68 -3,-0.4 -16,-0.3 1,-0.2 -1,-0.1 0.833 88.7 35.5 -67.5 -31.1 4.9 78.9 39.1 87 114 A T T 4 S+ 0 0 143 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.862 127.3 34.1 -90.0 -40.2 2.6 81.6 37.8 88 115 A T T 4 S- 0 0 92 -4,-0.2 -2,-0.2 1,-0.1 -3,-0.1 0.777 93.0-152.8 -86.5 -29.5 4.2 82.3 34.4 89 116 A G < - 0 0 4 -4,-2.1 2,-0.3 -7,-0.1 -20,-0.2 -0.217 17.7 -98.3 78.7-178.9 5.3 78.7 33.6 90 117 A M E -F 68 0C 3 -22,-2.4 -22,-2.6 -4,-0.1 2,-0.1 -0.998 20.9-121.2-143.3 145.6 8.2 78.1 31.2 91 118 A T E > -F 67 0C 23 -2,-0.3 4,-2.6 -24,-0.3 -24,-0.2 -0.381 35.4-107.7 -78.6 162.2 8.6 77.2 27.6 92 119 A L H > S+ 0 0 0 -26,-1.3 4,-2.1 -29,-0.5 -27,-0.2 0.826 123.4 53.9 -59.5 -29.9 10.4 74.0 26.6 93 120 A A H > S+ 0 0 18 -29,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.917 110.1 45.2 -69.8 -42.8 13.3 76.2 25.4 94 121 A E H > S+ 0 0 91 -30,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.846 113.1 51.0 -68.9 -34.4 13.5 77.9 28.9 95 122 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.900 111.3 47.9 -68.5 -41.2 13.2 74.6 30.6 96 123 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 5,-0.3 0.924 112.7 48.0 -65.4 -45.2 16.1 73.1 28.5 97 124 A A H X S+ 0 0 19 -4,-2.4 4,-2.9 1,-0.2 5,-0.4 0.917 113.9 48.1 -61.9 -43.5 18.3 76.2 29.1 98 125 A A H X>S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 6,-1.7 0.903 112.0 47.4 -65.6 -42.3 17.6 76.0 32.9 99 126 A T H <5S+ 0 0 0 -4,-2.5 4,-0.3 4,-0.3 -1,-0.2 0.875 120.1 39.1 -69.9 -33.5 18.2 72.3 33.2 100 127 A L H <5S+ 0 0 2 -4,-2.1 108,-0.2 -5,-0.2 -2,-0.2 0.925 123.0 36.3 -81.9 -46.0 21.5 72.5 31.3 101 128 A Q H <5S+ 0 0 43 -4,-2.9 87,-2.1 -5,-0.3 88,-0.3 0.731 137.0 18.7 -82.5 -23.0 22.9 75.8 32.5 102 129 A Y T <5S- 0 0 91 -4,-1.7 -3,-0.2 -5,-0.4 -1,-0.1 0.464 96.9-123.9-120.7 -10.4 21.8 75.6 36.1 103 130 A S < - 0 0 16 -5,-0.6 2,-0.3 -4,-0.3 -4,-0.3 0.851 39.1-172.5 65.2 35.8 21.1 71.9 36.4 104 131 A D > - 0 0 0 -6,-1.7 4,-1.2 1,-0.2 -25,-0.2 -0.463 11.8-157.9 -62.4 118.3 17.6 72.7 37.5 105 132 A N H > S+ 0 0 20 -27,-2.4 4,-2.1 -2,-0.3 34,-0.3 0.849 87.2 53.1 -73.0 -36.1 16.1 69.4 38.5 106 133 A T H > S+ 0 0 0 -28,-0.3 4,-2.5 -30,-0.3 5,-0.2 0.889 105.3 58.1 -66.4 -34.3 12.4 70.2 38.2 107 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 105.7 49.0 -60.0 -41.9 13.1 71.4 34.7 108 135 A M H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.948 111.0 49.7 -62.1 -48.5 14.5 68.0 33.8 109 136 A N H X S+ 0 0 9 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.860 109.5 50.9 -59.7 -37.3 11.4 66.3 35.3 110 137 A K H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.897 110.7 49.6 -67.7 -38.5 9.1 68.6 33.3 111 138 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.914 110.8 49.6 -65.1 -42.3 11.0 67.7 30.1 112 139 A L H X>S+ 0 0 2 -4,-2.7 5,-2.8 1,-0.2 4,-1.8 0.919 109.4 52.5 -62.5 -42.6 10.7 64.0 31.0 113 140 A D H <5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 110.3 48.0 -57.9 -47.4 6.9 64.5 31.6 114 141 A Y H <5S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.916 111.7 49.0 -59.7 -46.5 6.6 66.2 28.2 115 142 A L H <5S- 0 0 32 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.761 122.4-101.5 -66.7 -27.4 8.5 63.4 26.3 116 143 A G T <5S- 0 0 48 -4,-1.8 -3,-0.2 -3,-0.2 3,-0.2 0.534 72.5 -52.7 115.4 11.6 6.6 60.6 27.9 117 144 A G S >>> S+ 0 0 32 0, 0.0 4,-1.7 0, 0.0 3,-1.2 0.856 125.6 63.2 -52.5 -41.0 12.6 58.4 31.1 119 146 A A H 3> S+ 0 0 65 1,-0.3 4,-2.0 2,-0.2 -2,-0.1 0.816 96.2 59.4 -56.8 -31.4 12.1 55.4 28.8 120 147 A K H <> S+ 0 0 87 -3,-1.4 4,-1.7 2,-0.2 -1,-0.3 0.807 102.9 51.5 -68.7 -29.4 11.5 57.9 26.0 121 148 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.3 3,-1.2 0.925 107.8 49.7 -57.3 -44.1 19.5 57.6 22.6 126 153 A R H ><5S+ 0 0 26 -4,-2.1 3,-1.7 1,-0.3 -1,-0.3 0.846 102.6 62.8 -64.1 -31.0 19.0 54.4 20.6 127 154 A S H 3<5S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.686 105.4 45.4 -68.6 -17.6 17.8 56.5 17.7 128 155 A I T <<5S- 0 0 24 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.016 126.6-100.7-111.6 25.2 21.2 58.1 17.5 129 156 A N T < 5S+ 0 0 108 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.780 76.7 140.4 61.6 33.7 22.9 54.7 17.8 130 157 A D < + 0 0 6 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.921 20.2 172.6-103.9 106.2 23.8 55.0 21.5 131 158 A V S S+ 0 0 56 -2,-0.8 -1,-0.1 1,-0.1 -5,-0.1 0.333 70.0 55.6 -97.9 7.6 23.2 51.5 22.8 132 159 A T S S+ 0 0 33 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.786 77.9 96.7-106.1 -40.4 24.6 52.1 26.2 133 160 A Y + 0 0 0 21,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.256 47.1 174.6 -56.3 133.1 22.7 55.1 27.6 134 161 A R - 0 0 77 19,-1.4 2,-0.6 16,-0.1 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30,-0.4 0.728 106.8 51.2 -63.2 -19.4 -11.9 22.9 -1.1 330 92 B D G < S+ 0 0 118 -3,-1.8 2,-0.4 27,-0.2 -1,-0.3 0.350 80.0 124.0 -98.2 5.4 -15.6 23.2 -1.7 331 93 B K < - 0 0 103 -3,-2.1 26,-1.3 -4,-0.3 2,-0.3 -0.530 62.3-130.3 -69.1 123.5 -16.5 21.1 1.4 332 94 B N E -L 356 0F 81 -2,-0.4 2,-0.4 24,-0.2 24,-0.3 -0.603 19.9-160.9 -80.3 133.1 -18.8 23.2 3.5 333 95 B I E -L 355 0F 19 22,-2.7 22,-2.5 -2,-0.3 2,-0.2 -0.955 15.8-128.6-116.1 130.9 -17.9 23.5 7.2 334 96 B T - 0 0 95 -2,-0.4 2,-0.5 20,-0.2 17,-0.1 -0.541 16.1-150.2 -79.3 142.0 -20.5 24.5 9.8 335 97 B I - 0 0 8 16,-0.4 2,-0.2 15,-0.3 19,-0.1 -0.956 8.6-158.0-117.4 115.7 -19.6 27.4 12.2 336 98 B K >> - 0 0 134 -2,-0.5 3,-1.6 1,-0.1 4,-0.7 -0.540 28.4-118.8 -87.2 156.6 -21.2 27.3 15.6 337 99 B K G >4 S+ 0 0 168 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.919 117.0 58.5 -59.4 -41.0 -21.5 30.5 17.7 338 100 B S G 34 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.587 95.9 64.4 -65.4 -10.6 -19.3 28.8 20.3 339 101 B D G <4 S+ 0 0 35 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.733 77.7 108.9 -82.7 -24.8 -16.6 28.5 17.7 340 102 B L << + 0 0 58 -3,-1.4 2,-0.2 -4,-0.7 3,-0.1 -0.339 44.6 175.1 -61.9 124.8 -16.2 32.2 17.3 341 103 B V - 0 0 38 1,-0.2 30,-0.3 -2,-0.2 29,-0.1 -0.662 44.2 -52.3-119.1 175.9 -12.9 33.7 18.8 342 104 B A S S+ 0 0 70 -2,-0.2 28,-0.3 1,-0.2 -1,-0.2 -0.183 116.5 12.8 -53.4 139.5 -11.4 37.1 18.8 343 105 B Y + 0 0 142 1,-0.1 27,-2.4 27,-0.1 28,-0.3 0.988 69.6 147.8 52.3 82.5 -11.1 38.8 15.4 344 106 B S > + 0 0 3 25,-0.2 4,-2.1 26,-0.2 5,-0.2 -0.516 7.9 162.3-138.1 62.0 -13.2 36.8 13.0 345 107 B P T 4 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.765 78.8 32.0 -56.0 -31.3 -14.5 39.4 10.6 346 108 B I T >4 S+ 0 0 46 2,-0.1 3,-1.4 -3,-0.1 4,-0.1 0.895 118.9 47.7 -94.1 -51.3 -15.5 36.9 7.9 347 109 B T G >4 S+ 0 0 0 1,-0.3 3,-2.1 2,-0.2 7,-0.1 0.830 101.0 65.2 -60.9 -35.5 -16.5 33.8 9.8 348 110 B E G 3< S+ 0 0 102 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.689 101.1 53.8 -63.4 -15.4 -18.8 35.7 12.3 349 111 B K G < S+ 0 0 159 -3,-1.4 -1,-0.3 -5,-0.2 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