==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 13-AUG-96 1DJB . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.C.H.CHEN,O.HERZBERG . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 72.8 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 . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.7 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 1 0 0 0 1 0 1 3 2 1 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 1 1 0 1 0 1 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 . 2 0 0 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 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 31 A K 0 0 122 0, 0.0 5,-0.1 0, 0.0 254,-0.1 0.000 360.0 360.0 360.0 140.5 30.2 -13.2 -22.4 2 32 A E > - 0 0 140 1,-0.1 4,-1.5 3,-0.1 5,-0.1 -0.349 360.0-139.9 -62.7 133.2 30.1 -16.3 -20.1 3 33 A L H > S+ 0 0 19 2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.808 104.3 60.0 -63.8 -31.3 26.9 -16.6 -18.1 4 34 A N H > S+ 0 0 91 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 104.6 50.9 -63.0 -37.2 28.8 -17.7 -15.0 5 35 A D H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.886 109.0 50.2 -66.1 -38.1 30.6 -14.4 -15.3 6 36 A L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.935 110.6 49.4 -65.0 -43.4 27.2 -12.7 -15.4 7 37 A E H X>S+ 0 0 39 -4,-3.0 4,-1.7 1,-0.2 5,-1.4 0.922 113.7 47.4 -58.0 -44.9 26.2 -14.7 -12.3 8 38 A K H <5S+ 0 0 167 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.924 111.2 49.7 -61.0 -48.6 29.4 -13.6 -10.7 9 39 A K H <5S+ 0 0 119 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 123.2 30.7 -63.1 -37.1 29.0 -10.0 -11.6 10 40 A Y H <5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.561 95.8-131.9-101.6 -6.0 25.5 -9.7 -10.4 11 41 A N T <5 + 0 0 108 -4,-1.7 224,-0.4 -5,-0.2 2,-0.2 0.931 69.9 119.8 49.5 48.5 25.6 -12.3 -7.5 12 42 A A < - 0 0 7 -5,-1.4 2,-0.4 -6,-0.2 222,-0.2 -0.754 67.5-111.9-132.3 172.3 22.4 -13.7 -8.9 13 43 A H E -A 233 0A 39 220,-3.1 220,-1.5 -2,-0.2 2,-0.4 -0.938 31.0-156.3-111.8 133.9 21.3 -17.1 -10.3 14 44 A I E -A 232 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.929 13.9-175.5-120.3 138.8 20.5 -17.4 -14.0 15 45 A G E +A 231 0A 0 216,-2.3 216,-2.3 -2,-0.4 2,-0.4 -0.992 14.9 178.1-130.9 120.5 18.4 -19.8 -15.9 16 46 A V E +AB 230 29A 0 13,-3.2 13,-1.7 -2,-0.4 2,-0.3 -0.952 16.7 172.4-130.8 145.1 18.2 -19.6 -19.6 17 47 A Y E +AB 229 28A 3 212,-1.4 212,-3.3 -2,-0.4 2,-0.4 -0.914 9.9 174.0-148.4 117.5 16.6 -21.5 -22.4 18 48 A A E -AB 228 27A 0 9,-1.9 9,-2.0 -2,-0.3 2,-0.4 -0.997 4.8-176.6-127.0 135.5 16.7 -20.2 -25.9 19 49 A L E -AB 227 26A 15 208,-2.4 208,-3.0 -2,-0.4 2,-1.0 -0.979 19.2-149.6-138.2 119.7 15.4 -22.2 -28.9 20 50 A D E >> -AB 226 25A 15 5,-2.5 4,-3.2 -2,-0.4 5,-0.5 -0.829 13.3-159.0 -87.7 106.6 15.7 -21.0 -32.4 21 51 A T T 45S+ 0 0 43 204,-1.7 -1,-0.2 -2,-1.0 205,-0.1 0.667 85.4 59.0 -63.8 -19.0 12.5 -22.5 -33.9 22 52 A K T 45S+ 0 0 138 203,-0.3 -1,-0.2 202,-0.1 204,-0.1 0.945 124.5 16.3 -73.4 -45.6 13.9 -22.3 -37.5 23 53 A S T 45S- 0 0 79 -3,-0.3 -2,-0.2 2,-0.1 3,-0.1 0.732 95.8-125.4 -97.5 -30.3 17.0 -24.5 -36.9 24 54 A G T <5 + 0 0 41 -4,-3.2 2,-0.3 1,-0.3 -3,-0.2 0.516 54.8 155.4 92.3 5.5 16.1 -26.1 -33.6 25 55 A K E < -B 20 0A 108 -5,-0.5 -5,-2.5 -6,-0.1 2,-0.4 -0.543 25.8-157.7 -70.6 133.7 19.3 -24.9 -32.0 26 56 A E E -B 19 0A 82 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.904 15.6-163.4-116.9 140.4 19.2 -24.6 -28.2 27 57 A V E -B 18 0A 19 -9,-2.0 -9,-1.9 -2,-0.4 2,-0.3 -0.921 22.3-179.1-113.1 136.9 21.2 -22.5 -25.7 28 59 A K E +B 17 0A 104 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.995 19.3 164.1-140.2 145.4 20.9 -23.8 -22.1 29 60 A F E S-B 16 0A 34 -13,-1.7 -13,-3.2 -2,-0.3 4,-0.1 -0.797 87.0 -18.0-162.8 112.9 22.3 -22.7 -18.7 30 61 A N S > S+ 0 0 63 -2,-0.3 3,-1.5 -15,-0.2 121,-0.1 0.822 88.6 154.5 54.8 34.5 20.7 -23.9 -15.5 31 62 A S T 3 + 0 0 8 1,-0.3 120,-2.7 119,-0.1 121,-0.4 0.577 65.3 48.9 -70.8 -10.6 17.8 -24.8 -17.8 32 63 A D T 3 S+ 0 0 127 118,-0.2 2,-0.4 117,-0.1 -1,-0.3 0.122 87.4 105.2-115.1 20.8 16.5 -27.5 -15.6 33 64 A K S < S- 0 0 81 -3,-1.5 2,-0.3 -4,-0.1 118,-0.1 -0.800 73.9-117.2-102.9 138.5 16.6 -25.5 -12.4 34 65 A R + 0 0 92 -2,-0.4 2,-0.3 115,-0.2 115,-0.3 -0.645 34.2 176.4 -80.3 135.4 13.2 -24.3 -11.0 35 66 A F E -E 148 0B 1 113,-3.0 113,-1.6 -2,-0.3 2,-0.4 -0.964 41.6-100.6-135.3 150.1 12.4 -20.6 -10.7 36 67 A A E -E 147 0B 2 -2,-0.3 111,-0.2 111,-0.2 169,-0.2 -0.612 34.3-160.0 -68.8 121.6 9.2 -18.7 -9.6 37 68 A Y > + 0 0 6 109,-1.5 3,-1.7 -2,-0.4 -1,-0.2 0.731 21.1 174.1 -79.0 -16.8 7.8 -17.8 -13.0 38 69 A A G > - 0 0 0 108,-0.5 3,-2.0 98,-0.4 -1,-0.1 -0.139 64.6 -4.9 46.4-140.7 5.6 -15.0 -11.7 39 70 A A G > S+ 0 0 9 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.418 114.6 83.7 -60.7 -8.4 3.7 -12.8 -14.3 40 71 A T G X> S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.2 4,-0.6 0.779 81.2 67.6 -66.2 -26.7 5.4 -14.6 -17.3 41 72 A S H <> S+ 0 0 8 -3,-2.0 4,-2.6 1,-0.3 3,-0.4 0.717 79.3 78.0 -63.8 -18.5 2.7 -17.2 -16.8 42 73 A K H <> S+ 0 0 1 -3,-1.1 4,-2.5 1,-0.3 -1,-0.3 0.837 91.8 54.5 -58.2 -31.3 0.1 -14.5 -18.0 43 74 A A H <> S+ 0 0 0 -3,-1.4 4,-1.9 -4,-0.3 -1,-0.3 0.864 108.4 46.5 -68.7 -40.9 1.4 -15.4 -21.4 44 75 A I H X S+ 0 0 4 -4,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.928 113.6 48.5 -66.6 -46.7 0.6 -19.0 -20.9 45 76 A N H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.919 112.5 48.4 -62.3 -44.0 -2.9 -18.4 -19.5 46 77 A S H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.873 111.3 49.9 -65.8 -40.1 -3.8 -16.0 -22.3 47 78 A A H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.819 106.8 53.9 -67.3 -35.7 -2.6 -18.4 -24.9 48 79 A I H >X S+ 0 0 2 -4,-1.7 3,-0.8 2,-0.2 4,-0.6 0.932 110.4 48.4 -65.8 -36.9 -4.6 -21.4 -23.5 49 80 A L H >X S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.3 4,-0.6 0.887 106.9 55.5 -69.1 -42.8 -7.8 -19.3 -23.6 50 81 A L H 3< S+ 0 0 4 -4,-1.9 117,-0.4 1,-0.3 -1,-0.3 0.588 97.0 64.5 -67.9 -12.1 -7.1 -18.2 -27.1 51 82 A E H << S+ 0 0 47 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.801 111.8 36.8 -76.6 -28.6 -6.9 -21.8 -28.2 52 83 A Q H << S+ 0 0 104 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.410 111.8 59.4-102.3 -5.1 -10.6 -22.1 -27.2 53 84 A V S < S- 0 0 19 -4,-0.6 -1,-0.2 5,-0.0 5,-0.1 -0.908 77.8-135.8-130.4 111.9 -12.0 -18.8 -28.3 54 87 A P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.217 29.5-108.4 -63.7 149.6 -11.8 -17.8 -31.9 55 88 A Y G > S+ 0 0 94 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.870 118.1 56.5 -40.3 -52.7 -10.8 -14.2 -32.6 56 89 A N G 3 S+ 0 0 115 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.649 104.8 53.0 -58.2 -21.4 -14.3 -13.2 -33.7 57 90 A K G X S+ 0 0 123 -3,-2.3 3,-1.3 1,-0.2 -1,-0.3 0.245 76.1 98.7-102.0 14.0 -15.8 -14.4 -30.4 58 91 A L T < + 0 0 2 -3,-2.0 29,-2.3 1,-0.2 28,-0.8 0.605 67.8 75.2 -77.5 -8.2 -13.5 -12.4 -28.2 59 92 A N T 3 + 0 0 111 -3,-0.4 -1,-0.2 26,-0.2 -2,-0.1 0.617 69.3 118.3 -73.9 -14.5 -16.3 -9.8 -27.9 60 93 A K < - 0 0 105 -3,-1.3 26,-1.7 25,-0.1 2,-0.2 -0.244 59.7-135.0 -56.9 139.8 -18.0 -12.2 -25.5 61 94 A K E -F 85 0C 126 24,-0.2 2,-0.3 25,-0.1 24,-0.2 -0.634 18.8-165.5-107.9 154.8 -18.4 -10.6 -22.0 62 95 A V E -F 84 0C 14 22,-2.3 22,-2.4 -2,-0.2 2,-0.4 -0.940 24.2-120.8-131.8 149.2 -17.9 -11.7 -18.5 63 96 A H E -F 83 0C 90 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.779 21.6-157.3 -91.3 144.2 -19.1 -10.0 -15.4 64 97 A I + 0 0 0 18,-2.6 17,-1.7 15,-0.4 2,-0.2 -0.952 14.8 176.8-122.0 130.5 -16.7 -8.8 -12.8 65 98 A N >> - 0 0 62 -2,-0.5 3,-1.7 15,-0.2 4,-0.7 -0.725 46.8 -85.6-123.2-177.1 -17.6 -8.3 -9.3 66 99 A K G >4 S+ 0 0 171 1,-0.3 3,-0.5 -2,-0.2 14,-0.1 0.772 121.4 60.2 -54.5 -34.9 -16.0 -7.4 -6.0 67 100 A D G 34 S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.711 99.2 60.0 -67.7 -20.2 -14.9 -10.9 -5.2 68 101 A D G <4 S+ 0 0 35 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.2 0.794 81.4 102.5 -77.3 -29.2 -12.8 -11.0 -8.4 69 102 A I << + 0 0 54 -4,-0.7 2,-0.3 -3,-0.5 3,-0.1 -0.346 44.4 171.7 -65.7 122.3 -10.6 -8.1 -7.5 70 103 A V - 0 0 39 -2,-0.2 30,-0.3 1,-0.1 29,-0.1 -0.845 45.2 -66.0-122.3 166.1 -7.0 -8.8 -6.3 71 104 A A S S+ 0 0 63 -2,-0.3 28,-0.2 1,-0.2 -1,-0.1 -0.101 111.4 23.6 -53.1 145.4 -4.2 -6.4 -5.6 72 105 A Y + 0 0 143 1,-0.1 27,-2.2 27,-0.1 -1,-0.2 0.991 69.3 141.4 59.1 72.7 -2.6 -4.6 -8.6 73 106 A S > + 0 0 4 25,-0.2 4,-2.1 26,-0.2 5,-0.2 -0.603 17.1 171.6-138.4 71.9 -5.4 -4.5 -11.1 74 107 A P T 4 S+ 0 0 43 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.789 81.6 31.5 -55.3 -32.6 -5.0 -1.0 -12.6 75 108 A I T >4 S+ 0 0 46 17,-0.1 3,-1.4 2,-0.1 -2,-0.1 0.911 118.7 48.9 -90.9 -52.8 -7.6 -1.8 -15.4 76 109 A L G >4 S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.689 93.7 73.6 -63.9 -21.9 -10.0 -4.3 -13.8 77 110 A E G >< S+ 0 0 97 -4,-2.1 3,-0.8 1,-0.3 -1,-0.3 0.802 93.9 55.5 -64.5 -29.6 -10.6 -2.3 -10.6 78 111 A K G < S+ 0 0 140 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.323 99.1 66.7 -80.2 1.9 -12.7 0.2 -12.7 79 112 A Y G X + 0 0 71 -3,-2.0 3,-2.2 3,-0.1 -15,-0.4 0.310 62.9 135.8-108.1 10.8 -14.9 -2.8 -13.8 80 113 A V T < S+ 0 0 55 -3,-0.8 -15,-0.2 1,-0.3 3,-0.1 -0.343 83.7 8.6 -60.7 130.7 -16.5 -3.8 -10.6 81 114 A G T 3 S+ 0 0 51 -17,-1.7 -1,-0.3 1,-0.3 -16,-0.1 0.308 119.3 97.5 79.3 -6.3 -20.2 -4.5 -11.2 82 115 A K S < S- 0 0 124 -3,-2.2 -18,-2.6 -18,-0.2 2,-0.3 -0.359 71.2-119.3-108.6 178.7 -19.5 -4.2 -14.9 83 116 A D E -F 63 0C 88 -20,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.911 23.1-168.7-118.1 156.6 -18.9 -6.6 -17.8 84 117 A I E -F 62 0C 3 -22,-2.4 -22,-2.3 -2,-0.3 2,-0.1 -0.984 23.7-113.0-144.8 144.2 -15.8 -6.7 -19.9 85 118 A T E > -F 61 0C 35 -2,-0.3 4,-1.1 -24,-0.2 -24,-0.2 -0.332 26.2-118.5 -73.6 163.1 -15.0 -8.5 -23.1 86 119 A L H > S+ 0 0 0 -26,-1.7 4,-2.2 -28,-0.8 3,-0.2 0.868 114.1 62.8 -67.9 -36.6 -12.4 -11.4 -23.2 87 120 A K H > S+ 0 0 65 -29,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.945 106.3 42.7 -52.0 -49.9 -10.4 -9.3 -25.6 88 121 A A H > S+ 0 0 17 -30,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.723 107.6 60.5 -71.6 -22.5 -9.9 -6.5 -23.0 89 122 A L H X S+ 0 0 0 -4,-1.1 4,-1.7 -3,-0.2 -1,-0.2 0.929 110.5 42.1 -68.6 -41.9 -9.2 -9.1 -20.3 90 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.932 112.4 51.9 -68.9 -45.0 -6.2 -10.3 -22.4 91 124 A E H X S+ 0 0 65 -4,-2.5 4,-2.5 1,-0.2 5,-0.5 0.893 112.8 47.6 -58.7 -42.0 -5.1 -6.8 -23.3 92 125 A A H X S+ 0 0 4 -4,-2.0 6,-2.4 2,-0.2 4,-1.1 0.829 113.5 44.9 -66.6 -44.6 -5.1 -5.9 -19.6 93 126 A S H X S+ 0 0 0 -4,-1.7 4,-0.8 4,-0.3 -2,-0.2 0.938 120.9 40.0 -65.3 -46.4 -3.3 -8.9 -18.3 94 127 A M H < S+ 0 0 2 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.932 125.3 32.5 -69.3 -54.7 -0.6 -8.7 -21.0 95 128 A T H < S+ 0 0 42 -4,-2.5 88,-0.2 -5,-0.3 -3,-0.2 0.865 136.5 21.7 -75.2 -35.4 -0.1 -5.0 -21.2 96 129 A Y H < S- 0 0 119 -4,-1.1 -3,-0.2 -5,-0.5 3,-0.2 0.395 96.5-124.5-115.2 -0.1 -0.6 -4.0 -17.7 97 130 A S < - 0 0 24 -4,-0.8 -4,-0.3 -6,-0.2 2,-0.3 0.876 38.8-166.0 53.5 44.9 0.0 -7.3 -16.1 98 131 A D > - 0 0 0 -6,-2.4 4,-1.8 1,-0.2 -25,-0.2 -0.391 13.7-157.0 -63.3 120.2 -3.5 -6.9 -14.5 99 132 A N H > S+ 0 0 12 -27,-2.2 4,-2.2 -2,-0.3 34,-0.3 0.872 91.5 47.9 -68.7 -42.1 -3.8 -9.5 -11.7 100 133 A T H > S+ 0 0 1 -30,-0.3 4,-2.7 2,-0.2 5,-0.3 0.932 110.2 53.5 -63.7 -44.0 -7.6 -9.7 -11.7 101 134 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.901 110.3 49.0 -55.5 -46.2 -7.6 -10.0 -15.6 102 135 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.937 111.6 46.3 -58.9 -52.3 -5.3 -12.9 -15.2 103 136 A N H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.914 113.0 51.5 -56.7 -42.3 -7.3 -14.8 -12.5 104 137 A K H X S+ 0 0 31 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.873 107.5 52.3 -63.6 -37.5 -10.4 -14.2 -14.5 105 138 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.920 109.7 48.5 -64.6 -42.1 -8.7 -15.7 -17.6 106 139 A I H X>S+ 0 0 8 -4,-2.2 5,-2.9 2,-0.2 4,-1.0 0.865 110.5 51.5 -60.9 -48.9 -7.8 -18.7 -15.6 107 140 A K H ><5S+ 0 0 110 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.938 108.1 52.8 -55.4 -48.6 -11.4 -19.0 -14.3 108 141 A E H 3<5S+ 0 0 57 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.740 106.0 53.4 -56.8 -34.4 -12.6 -18.8 -17.9 109 142 A I H 3<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.703 131.5 -94.2 -72.3 -27.0 -10.3 -21.6 -18.9 110 143 A G T <<5 - 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