==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 19-JAN-12 4DE0 . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.N.NICHOLS,Y.CHEN . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 71.9 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 . 82 15.6 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 . 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 . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 31.9 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 4 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 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 2 0 2 2 0 2 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 25 A X 0 0 117 0, 0.0 2,-0.5 0, 0.0 411,-0.0 0.000 360.0 360.0 360.0 155.3 19.7 77.0 2.7 2 26 A T - 0 0 63 4,-0.0 2,-0.1 3,-0.0 0, 0.0 -0.984 360.0-153.9-115.5 117.9 18.5 73.8 0.9 3 27 A S > - 0 0 47 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.322 30.1-105.3 -81.3 170.7 20.6 70.7 1.4 4 28 A A H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.913 123.8 50.7 -60.0 -44.6 21.0 67.7 -0.9 5 29 A V H > S+ 0 0 22 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.924 109.2 49.7 -61.6 -44.8 18.8 65.7 1.5 6 30 A Q H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 110.0 52.1 -62.3 -39.2 16.1 68.4 1.5 7 31 A Q H X S+ 0 0 102 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.903 109.9 48.3 -61.6 -42.2 16.2 68.5 -2.3 8 32 A K H X S+ 0 0 113 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.910 111.0 50.7 -63.8 -40.5 15.7 64.7 -2.4 9 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.890 109.1 51.7 -65.8 -37.9 12.9 64.9 0.1 10 34 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.875 109.7 49.2 -64.1 -38.9 11.2 67.6 -2.1 11 35 A A H X S+ 0 0 62 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 111.3 49.4 -67.5 -41.9 11.5 65.4 -5.2 12 36 A L H X S+ 0 0 23 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.950 112.3 49.1 -58.1 -48.3 10.0 62.5 -3.3 13 37 A E H >X>S+ 0 0 18 -4,-2.7 4,-1.1 1,-0.2 3,-0.8 0.921 108.8 52.6 -58.7 -48.8 7.2 64.8 -2.1 14 38 A K H ><5S+ 0 0 180 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.937 111.2 45.4 -56.0 -44.8 6.5 66.0 -5.6 15 39 A S H 3<5S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.605 109.3 57.7 -77.0 -8.7 6.2 62.5 -7.1 16 40 A S H <<5S- 0 0 14 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.693 96.8-138.7 -88.2 -22.6 3.9 61.4 -4.2 17 41 A G T <<5S+ 0 0 56 -4,-1.1 -3,-0.1 -3,-0.7 -4,-0.1 0.382 71.1 85.8 76.9 -5.4 1.4 64.2 -4.8 18 42 A G S >> -AB 232 31A 16 5,-2.7 4,-2.1 -2,-0.5 3,-1.5 -0.882 2.0-162.4 -96.2 109.0 21.2 62.8 15.0 27 51 A T T 345S+ 0 0 27 204,-2.2 205,-0.1 -2,-0.8 -1,-0.1 0.528 80.0 81.8 -76.8 -0.2 22.4 62.4 18.6 28 52 A A T 345S- 0 0 67 202,-0.3 -1,-0.3 203,-0.2 204,-0.1 0.850 126.0 -5.8 -58.5 -36.6 26.0 61.8 17.3 29 53 A D T <45S- 0 0 90 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.1 0.323 96.3-112.6-143.2 1.9 26.2 65.6 17.1 30 54 A N T <5 + 0 0 90 -4,-2.1 -3,-0.2 1,-0.2 2,-0.0 0.522 66.4 149.0 64.4 17.2 22.7 66.9 17.9 31 55 A T E < -B 26 0A 71 -5,-0.7 -5,-2.7 -6,-0.1 2,-0.3 -0.298 32.9-146.1 -79.6 162.4 22.3 68.1 14.4 32 56 A Q E -B 25 0A 82 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.921 13.9-161.2-130.9 146.8 18.9 68.2 12.7 33 57 A V E -B 24 0A 36 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.4 -0.996 21.1-177.0-127.0 127.2 17.5 67.8 9.3 34 59 A L E -B 23 0A 26 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.954 20.0-176.6-125.4 145.2 14.1 69.2 8.6 35 60 A Y E S-B 22 0A 31 -13,-2.6 -13,-2.7 -2,-0.4 4,-0.1 -0.972 91.8 -15.1-139.2 118.5 11.7 69.3 5.7 36 61 A R S > S+ 0 0 89 -2,-0.4 3,-1.5 -15,-0.2 123,-0.1 0.882 90.8 162.9 50.4 42.3 8.5 71.3 6.3 37 62 A G T 3 + 0 0 5 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.689 66.4 41.4 -68.3 -21.6 9.7 71.0 9.9 38 63 A D T 3 S+ 0 0 104 120,-0.2 -1,-0.3 119,-0.1 2,-0.3 0.248 91.2 104.6-112.4 12.0 7.5 73.8 11.2 39 64 A E S < S- 0 0 67 -3,-1.5 2,-0.3 -4,-0.1 120,-0.1 -0.666 73.9-113.1 -87.2 150.4 4.4 73.0 9.3 40 65 A R + 0 0 93 -2,-0.3 117,-0.2 117,-0.2 110,-0.2 -0.606 34.9 177.5 -85.7 142.5 1.5 71.3 11.1 41 66 A F E -E 156 0B 1 115,-2.5 115,-1.8 -2,-0.3 2,-0.3 -0.981 38.8 -99.4-136.6 149.1 0.3 67.8 10.4 42 67 A P E -E 155 0B 11 0, 0.0 113,-0.3 0, 0.0 196,-0.2 -0.559 29.4-154.0 -66.9 127.8 -2.4 65.6 11.9 43 68 A M > + 0 0 0 111,-2.4 3,-1.9 -2,-0.3 112,-0.1 0.786 22.6 175.1 -70.9 -36.0 -0.7 63.2 14.4 44 69 A C G > S- 0 0 0 110,-0.6 3,-2.3 100,-0.5 -1,-0.2 -0.233 71.8 -10.5 49.8-142.1 -3.2 60.4 14.2 45 70 A S G > S+ 0 0 10 167,-0.3 3,-1.9 1,-0.3 4,-0.3 0.591 120.1 82.1 -69.6 -4.2 -2.0 57.4 16.3 46 71 A T G X S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.5 0.801 80.6 70.2 -65.1 -20.0 1.5 58.9 16.8 47 72 A S G <> S+ 0 0 0 -3,-2.3 4,-1.8 1,-0.2 3,-0.3 0.665 77.3 80.0 -65.9 -17.1 -0.2 60.8 19.6 48 73 A K H <> S+ 0 0 1 -3,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.830 84.8 61.5 -62.1 -27.6 -0.5 57.5 21.5 49 74 A V H <> S+ 0 0 3 -3,-1.3 4,-2.6 -4,-0.3 -1,-0.2 0.934 104.1 46.5 -60.9 -46.0 3.1 58.0 22.5 50 75 A M H > S+ 0 0 2 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.903 113.3 49.2 -63.4 -42.8 2.4 61.2 24.3 51 76 A A H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.923 113.4 45.3 -62.4 -48.8 -0.6 59.7 26.1 52 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.917 113.3 51.2 -62.4 -40.7 1.3 56.6 27.2 53 78 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.875 106.0 54.7 -63.6 -37.4 4.2 58.8 28.3 54 79 A A H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.888 110.0 46.8 -64.6 -38.3 1.9 61.1 30.3 55 80 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.908 109.2 54.4 -70.0 -38.8 0.6 58.0 32.2 56 81 A L H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.915 107.3 51.4 -56.9 -42.7 4.2 56.8 32.7 57 82 A K H >< S+ 0 0 68 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.923 108.4 50.4 -59.6 -46.3 4.9 60.2 34.3 58 83 A Q H >< S+ 0 0 58 -4,-1.9 3,-1.5 1,-0.3 4,-0.3 0.886 104.0 60.6 -58.1 -37.7 1.9 59.8 36.6 59 84 A S H >< S+ 0 0 10 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.657 85.3 77.0 -66.2 -16.8 3.2 56.4 37.6 60 85 A E T << S+ 0 0 67 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.801 105.5 34.1 -61.7 -30.2 6.5 57.9 38.9 61 86 A T T < S+ 0 0 127 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 0.360 120.2 53.0-106.4 5.4 4.6 59.0 42.0 62 87 A Q X - 0 0 90 -3,-0.6 3,-1.7 -4,-0.3 4,-0.4 -0.836 62.2-170.2-140.7 91.7 2.2 56.0 42.2 63 88 A K T 3 S+ 0 0 187 -2,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.723 89.5 44.7 -56.1 -24.3 4.1 52.7 42.1 64 89 A Q T > S+ 0 0 112 1,-0.1 3,-1.4 2,-0.1 4,-0.4 0.438 82.6 99.6 -99.1 -2.1 0.8 50.7 41.6 65 90 A L G X S+ 0 0 2 -3,-1.7 3,-1.9 1,-0.3 29,-0.5 0.888 80.0 53.5 -54.3 -45.9 -0.8 52.9 38.9 66 91 A L G 3 S+ 0 0 31 -4,-0.4 29,-2.5 1,-0.3 30,-0.4 0.712 107.3 52.6 -69.8 -13.8 0.2 50.7 36.0 67 92 A N G < S+ 0 0 98 -3,-1.4 -1,-0.3 27,-0.2 -2,-0.2 0.412 83.5 119.6 -94.5 -1.2 -1.4 47.7 37.8 68 93 A Q < - 0 0 79 -3,-1.9 26,-1.3 -4,-0.4 2,-0.1 -0.511 63.5-126.6 -65.2 130.5 -4.7 49.7 38.2 69 94 A P E -F 93 0C 83 0, 0.0 2,-0.4 0, 0.0 24,-0.2 -0.407 19.2-164.2 -81.2 148.8 -7.7 48.1 36.5 70 95 A V E -F 92 0C 27 22,-1.8 22,-2.0 -2,-0.1 2,-0.2 -1.000 24.4-120.9-131.7 126.0 -9.9 50.0 34.1 71 96 A E E -F 91 0C 119 -2,-0.4 2,-0.6 20,-0.2 20,-0.2 -0.504 18.4-153.5 -67.6 134.5 -13.3 48.5 33.2 72 97 A I E -F 90 0C 0 18,-2.6 17,-3.0 15,-0.4 18,-0.6 -0.970 17.3-172.0-109.8 111.5 -13.8 47.8 29.6 73 98 A K >> - 0 0 79 -2,-0.6 3,-2.2 15,-0.2 4,-0.6 -0.739 37.3-112.5-101.5 158.2 -17.5 48.0 28.7 74 99 A P G >4 S+ 0 0 72 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.900 118.9 58.3 -55.7 -37.9 -19.2 47.1 25.4 75 100 A A G 34 S+ 0 0 91 1,-0.2 -3,-0.0 -3,-0.0 13,-0.0 0.670 95.7 65.5 -65.8 -16.7 -20.0 50.8 24.9 76 101 A D G <4 S+ 0 0 46 -3,-2.2 -1,-0.2 8,-0.1 2,-0.1 0.667 75.5 104.2 -78.8 -18.8 -16.3 51.6 25.1 77 102 A L << + 0 0 53 -3,-1.3 2,-0.1 -4,-0.6 4,-0.1 -0.478 47.0 173.9 -68.0 140.0 -15.3 49.8 22.0 78 103 A V - 0 0 49 -2,-0.1 3,-0.2 2,-0.0 -1,-0.1 0.075 51.4 -53.4-116.9-131.0 -14.7 52.1 19.0 79 104 A N S S+ 0 0 101 1,-0.2 2,-0.3 -2,-0.1 -2,-0.1 0.539 122.2 28.2 -97.9 -14.6 -13.5 51.3 15.5 80 105 A Y + 0 0 123 1,-0.0 27,-2.8 0, 0.0 28,-0.6 -0.787 64.6 144.8-153.9 100.4 -10.2 49.4 16.0 81 106 A N > + 0 0 15 -2,-0.3 4,-2.3 25,-0.2 5,-0.3 -0.376 2.2 155.3-139.6 50.1 -9.9 47.4 19.3 82 107 A P T 4 S+ 0 0 36 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.844 85.4 27.4 -61.6 -28.4 -8.0 44.2 18.7 83 108 A I T >4 S+ 0 0 25 2,-0.1 3,-1.5 -3,-0.1 4,-0.4 0.897 118.8 53.3 -94.7 -50.6 -6.9 44.0 22.3 84 109 A A G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.842 99.3 63.7 -59.7 -33.2 -9.7 45.7 24.2 85 110 A E G >< S+ 0 0 105 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.800 96.5 59.1 -64.3 -22.9 -12.5 43.6 22.6 86 111 A K G < S+ 0 0 142 -3,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.693 110.1 43.4 -71.8 -16.3 -11.0 40.6 24.3 87 112 A H G X S+ 0 0 56 -3,-2.0 3,-2.1 -4,-0.4 -15,-0.4 0.203 75.9 138.5-118.0 9.3 -11.5 42.2 27.7 88 113 A V T < S+ 0 0 45 -3,-0.7 -15,-0.2 -4,-0.3 3,-0.1 -0.373 76.5 22.4 -64.4 140.8 -15.0 43.7 27.3 89 114 A N T 3 S+ 0 0 116 -17,-3.0 -1,-0.3 1,-0.4 2,-0.2 0.503 125.8 64.1 67.1 14.5 -17.0 43.1 30.6 90 115 A G E < S-F 72 0C 30 -3,-2.1 -18,-2.6 -18,-0.6 -1,-0.4 -0.428 86.3 -93.8-133.2-148.2 -13.7 42.8 32.3 91 116 A T E -F 71 0C 71 -20,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.920 16.2-161.0-137.9 156.5 -10.7 44.9 33.0 92 117 A M E -F 70 0C 0 -22,-2.0 -22,-1.8 -2,-0.3 2,-0.1 -0.990 26.7-122.3-129.3 146.8 -7.3 45.9 31.7 93 118 A T E > -F 69 0C 29 -2,-0.3 4,-2.8 -24,-0.2 5,-0.2 -0.418 29.2-107.8 -78.9 165.4 -4.5 47.5 33.7 94 119 A L H > S+ 0 0 0 -26,-1.3 4,-2.4 -29,-0.5 -28,-0.2 0.869 123.0 53.5 -62.7 -32.2 -3.0 50.8 32.7 95 120 A A H > S+ 0 0 26 -29,-2.5 4,-2.9 2,-0.2 5,-0.2 0.945 109.7 47.8 -62.6 -46.2 0.1 48.9 31.6 96 121 A E H > S+ 0 0 85 -30,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.898 112.8 48.8 -60.7 -39.8 -2.0 46.6 29.5 97 122 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.889 111.6 48.8 -66.4 -40.5 -3.7 49.6 28.0 98 123 A S H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.928 113.2 46.9 -63.4 -47.6 -0.4 51.4 27.3 99 124 A A H X>S+ 0 0 21 -4,-2.9 4,-2.9 1,-0.2 5,-0.5 0.912 114.1 47.8 -61.9 -42.6 1.0 48.3 25.6 100 125 A A H X>S+ 0 0 4 -4,-2.4 6,-1.9 -5,-0.2 4,-1.6 0.923 113.4 47.5 -64.7 -44.8 -2.1 47.7 23.5 101 126 A A H X5S+ 0 0 0 -4,-2.6 4,-0.5 4,-0.3 -2,-0.2 0.931 121.8 35.4 -60.3 -48.3 -2.2 51.4 22.5 102 127 A L H <5S+ 0 0 2 -4,-2.6 108,-0.2 -5,-0.2 -2,-0.2 0.922 126.8 32.5 -75.4 -45.3 1.5 51.5 21.5 103 128 A Q H <5S+ 0 0 37 -4,-2.9 87,-2.1 -5,-0.3 88,-0.3 0.749 135.1 23.2 -92.8 -26.0 2.1 48.0 20.1 104 129 A Y H < - 0 0 0 -6,-1.9 4,-2.0 1,-0.1 -25,-0.2 -0.507 18.5-158.6 -70.6 123.8 -5.7 49.9 19.9 107 132 A N H > S+ 0 0 7 -27,-2.8 4,-2.1 -2,-0.4 34,-0.3 0.814 90.2 54.0 -77.6 -30.6 -8.1 52.9 19.9 108 133 A T H > S+ 0 0 0 -28,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.926 108.5 51.3 -66.1 -41.9 -10.2 51.9 22.9 109 134 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.935 108.6 51.5 -60.9 -46.0 -6.9 51.5 24.9 110 135 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.920 106.3 54.6 -55.1 -45.7 -5.9 55.1 23.8 111 136 A N H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.868 106.4 51.3 -59.9 -36.2 -9.3 56.4 25.0 112 137 A K H X S+ 0 0 37 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.888 109.8 50.2 -69.2 -34.5 -8.7 54.9 28.4 113 138 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.944 111.5 48.1 -62.2 -46.7 -5.3 56.6 28.6 114 139 A I H <>S+ 0 0 2 -4,-2.7 5,-2.7 1,-0.2 3,-0.5 0.921 111.5 49.7 -60.6 -42.1 -6.8 59.9 27.6 115 140 A A H ><5S+ 0 0 69 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.893 105.5 57.2 -65.9 -39.1 -9.6 59.5 30.2 116 141 A Q H 3<5S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 108.1 48.7 -57.1 -29.4 -6.9 58.7 32.9 117 142 A L T 3<5S- 0 0 24 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.364 125.8-101.8 -94.0 2.5 -5.4 62.1 32.1 118 143 A G T < 5S- 0 0 72 -3,-1.6 -3,-0.2 -4,-0.2 3,-0.2 0.651 76.6 -49.2 87.2 18.2 -8.7 63.9 32.3 119 144 A G S >>> S+ 0 0 25 0, 0.0 4,-1.7 0, 0.0 3,-1.3 0.881 130.6 60.8 -55.1 -38.6 -7.4 65.3 25.5 121 146 A G H 3> S+ 0 0 48 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.744 95.5 62.2 -62.9 -25.5 -6.2 68.5 27.3 122 147 A G H <> S+ 0 0 20 -3,-1.8 4,-1.4 2,-0.2 -1,-0.3 0.804 103.4 49.3 -65.8 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16.9-167.5-142.5 135.1 31.5 72.9 -6.7 399 162 B L + 0 0 3 -2,-0.3 -13,-0.3 -17,-0.3 -14,-0.1 -0.977 19.2 159.2-112.8 129.1 29.0 75.0 -8.7 400 163 B D + 0 0 58 -2,-0.5 2,-0.3 1,-0.1 -17,-0.2 0.628 54.7 37.9-119.8 -29.9 25.4 74.2 -7.9 401 164 B R - 0 0 34 -19,-0.1 -1,-0.1 -20,-0.1 2,-0.1 -0.804 67.2-122.6-129.1 165.3 23.4 77.2 -9.0 402 165 B T > - 0 0 62 -2,-0.3 4,-1.9 1,-0.1 -2,-0.1 -0.326 57.3 -37.8 -89.9 179.5 23.1 79.8 -11.7 403 166 B E T 4 S+ 0 0 3 1,-0.3 -1,-0.1 -34,-0.3 -30,-0.0 -0.694 117.9 14.7 -78.0 140.9 23.1 83.6 -11.3 404 167 B P T >4 S+ 0 0 52 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.996 122.1 54.0 -94.9 -4.7 22.0 85.3 -9.2 405 168 B T G >4 S+ 0 0 66 1,-0.3 3,-1.6 2,-0.1 -2,-0.2 0.708 88.8 76.8 -74.2 -11.2 21.3 82.7 -6.5 406 169 B L G 3< S+ 0 0 1 -4,-1.9 -100,-0.5 1,-0.3 3,-0.3 0.628 89.9 63.1 -69.8 -5.5 24.8 81.3 -6.4 407 170 B N G < + 0 0 19 -3,-1.7 69,-2.2 1,-0.2 -1,-0.3 0.220 63.6 107.8 -99.9 13.1 25.7 84.4 -4.4 408 171 B T < - 0 0 34 -3,-1.6 -1,-0.2 67,-0.2 -2,-0.1 0.834 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