==== 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 20-MAY-99 1KGG . COMPND 2 MOLECULE: PROTEIN (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) . 11344.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.6 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 . 41 16.0 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 . 9 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 2 3 2 0 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 . 1 1 0 2 0 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 . 1 1 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 0 114 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 150.7 30.3 -13.2 -22.4 2 32 A E > - 0 0 111 1,-0.1 4,-1.2 2,-0.0 250,-0.1 -0.506 360.0-138.9 -74.1 149.3 29.9 -16.4 -20.4 3 33 A L H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.926 108.3 50.9 -73.9 -38.4 26.6 -17.0 -18.6 4 34 A N H > S+ 0 0 91 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.841 106.4 53.6 -66.2 -31.8 28.5 -18.3 -15.6 5 35 A D H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.815 108.2 53.1 -69.5 -30.9 30.6 -15.1 -15.7 6 36 A L H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.3 6,-0.4 0.860 103.2 54.6 -71.4 -37.1 27.3 -13.2 -15.6 7 37 A E H X>S+ 0 0 29 -4,-1.8 4,-2.0 1,-0.2 5,-1.4 0.984 114.8 41.6 -60.6 -50.4 26.1 -15.2 -12.5 8 38 A K H <5S+ 0 0 160 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 112.3 54.1 -61.8 -43.6 29.3 -14.1 -10.8 9 39 A K H <5S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.855 124.6 25.7 -61.2 -33.5 29.1 -10.5 -12.2 10 40 A Y H <5S- 0 0 34 -4,-2.2 -2,-0.2 -3,-0.4 -1,-0.2 0.489 99.1-128.2-109.0 -3.8 25.6 -10.1 -10.8 11 41 A N T <5S+ 0 0 110 -4,-2.0 224,-0.4 -5,-0.2 -3,-0.2 0.790 71.4 116.3 55.3 36.7 25.7 -12.6 -8.0 12 42 A A < - 0 0 7 -5,-1.4 2,-0.4 -6,-0.4 -1,-0.2 -0.445 67.6-109.0-122.3-177.0 22.5 -14.1 -9.3 13 43 A H E -A 233 0A 48 220,-2.1 220,-1.5 -2,-0.2 2,-0.4 -0.922 28.5-154.9-117.2 142.6 21.3 -17.4 -10.7 14 44 A I E -A 232 0A 0 -2,-0.4 2,-0.4 218,-0.2 218,-0.2 -0.987 13.4-176.3-129.0 131.6 20.5 -17.8 -14.4 15 45 A G E +A 231 0A 0 216,-2.1 216,-2.4 -2,-0.4 2,-0.4 -0.996 16.8 173.2-125.1 124.1 18.1 -20.2 -16.0 16 46 A V E +AB 230 29A 0 13,-2.5 13,-1.9 -2,-0.4 2,-0.4 -0.999 14.8 171.9-140.9 129.0 18.1 -20.0 -19.9 17 47 A Y E +AB 229 28A 2 212,-1.8 212,-2.6 -2,-0.4 2,-0.3 -0.967 13.3 176.6-132.4 126.3 16.4 -22.2 -22.4 18 48 A A E -AB 228 27A 0 9,-2.3 9,-1.5 -2,-0.4 2,-0.4 -0.995 6.9-175.3-131.7 146.3 16.4 -20.9 -26.0 19 49 A L E -AB 227 26A 19 208,-2.0 208,-3.5 -2,-0.3 2,-0.8 -0.970 18.8-151.1-146.3 120.2 15.1 -22.6 -29.2 20 50 A D E > -A 226 0A 18 5,-2.3 4,-2.6 -2,-0.4 5,-0.3 -0.857 14.3-157.3 -88.1 113.5 15.3 -21.5 -32.8 21 51 A T T 4 S+ 0 0 44 204,-1.9 -1,-0.1 -2,-0.8 205,-0.1 0.679 86.5 59.0 -68.7 -18.8 12.2 -23.0 -34.2 22 52 A K T 4 S+ 0 0 119 203,-0.2 -1,-0.2 1,-0.1 204,-0.1 0.978 124.3 15.2 -73.5 -54.8 13.7 -23.0 -37.7 23 53 A S T 4 S- 0 0 81 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.741 95.7-125.3 -90.4 -28.5 16.8 -25.2 -37.1 24 54 A G < + 0 0 38 -4,-2.6 2,-0.4 1,-0.3 -3,-0.2 0.568 53.4 157.8 93.2 6.5 15.8 -26.7 -33.8 25 55 A K - 0 0 98 -5,-0.3 -5,-2.3 -6,-0.0 2,-0.4 -0.561 22.8-162.6 -67.2 128.5 19.0 -25.4 -32.2 26 56 A E E -B 19 0A 73 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.926 12.0-161.6-117.1 135.7 18.7 -25.1 -28.4 27 57 A V E -B 18 0A 21 -9,-1.5 -9,-2.3 -2,-0.4 2,-0.3 -0.857 19.5-177.4-109.5 142.5 20.9 -23.2 -25.9 28 59 A K E +B 17 0A 105 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.999 20.6 165.9-144.0 147.0 20.6 -24.2 -22.3 29 60 A F E S-B 16 0A 28 -13,-1.9 -13,-2.5 -2,-0.3 4,-0.1 -0.807 87.5 -18.1-160.6 110.1 22.1 -23.1 -19.0 30 61 A N S > S+ 0 0 67 -2,-0.3 3,-2.5 -15,-0.2 121,-0.1 0.753 86.7 156.1 58.1 26.5 20.5 -24.3 -15.7 31 62 A S T 3 + 0 0 12 1,-0.3 120,-2.8 -15,-0.2 121,-0.4 0.553 68.1 47.6 -61.4 -9.8 17.6 -25.1 -17.9 32 63 A D T 3 S+ 0 0 124 118,-0.2 2,-0.4 117,-0.2 -1,-0.3 0.161 85.6 105.1-121.1 23.2 16.4 -27.7 -15.5 33 64 A K S < S- 0 0 92 -3,-2.5 2,-0.3 -4,-0.1 115,-0.1 -0.857 73.4-119.1-103.4 134.8 16.7 -25.6 -12.3 34 65 A R + 0 0 72 -2,-0.4 2,-0.3 115,-0.2 115,-0.2 -0.566 37.2 167.8 -78.0 139.5 13.3 -24.4 -11.0 35 66 A F E -E 148 0B 1 113,-2.4 113,-2.0 -2,-0.3 2,-0.3 -0.909 45.8 -91.3-140.5 163.0 12.5 -20.7 -10.6 36 67 A A E -E 147 0B 4 -2,-0.3 111,-0.2 111,-0.2 169,-0.2 -0.609 29.6-159.9 -74.7 135.0 9.3 -18.9 -9.9 37 68 A Y > + 0 0 4 109,-1.3 3,-1.6 -2,-0.3 -1,-0.2 0.769 29.2 168.1 -85.4 -25.6 7.7 -18.1 -13.3 38 69 A A G > + 0 0 0 108,-0.6 3,-2.6 98,-0.3 4,-0.2 -0.083 64.4 0.3 49.8-141.6 5.5 -15.3 -11.8 39 70 A S G > S+ 0 0 16 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.479 115.3 84.4 -56.8 -0.4 3.6 -13.0 -14.2 40 71 A T G X> S+ 0 0 0 -3,-1.6 3,-1.8 1,-0.3 4,-0.5 0.848 76.8 68.6 -73.2 -27.1 5.1 -14.9 -17.1 41 72 A S H <> S+ 0 0 14 -3,-2.6 4,-2.3 1,-0.3 3,-0.4 0.655 76.8 83.1 -65.2 -9.4 2.3 -17.3 -16.7 42 73 A K H <> S+ 0 0 3 -3,-1.2 4,-2.0 1,-0.2 -1,-0.3 0.845 90.5 51.3 -62.2 -25.7 -0.1 -14.5 -17.9 43 74 A A H <> S+ 0 0 0 -3,-1.8 4,-1.4 -4,-0.2 -1,-0.2 0.746 107.8 50.2 -82.6 -25.6 0.9 -15.5 -21.5 44 75 A I H X S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.4 5,-0.2 0.962 112.6 46.6 -74.2 -48.7 0.2 -19.2 -20.9 45 76 A N H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.920 113.1 49.6 -57.2 -51.3 -3.3 -18.5 -19.5 46 77 A S H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.914 111.3 50.0 -55.3 -42.9 -4.1 -16.0 -22.3 47 78 A A H X S+ 0 0 0 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.810 107.6 51.9 -68.7 -33.1 -3.0 -18.5 -24.9 48 79 A I H >X S+ 0 0 2 -4,-2.1 4,-0.7 -3,-0.3 3,-0.6 0.925 109.5 49.7 -70.7 -37.6 -5.1 -21.3 -23.5 49 80 A L H >X S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.2 4,-0.6 0.965 109.7 53.2 -62.3 -46.2 -8.2 -19.1 -23.5 50 81 A L H 3< S+ 0 0 4 -4,-2.5 117,-0.3 1,-0.3 -1,-0.2 0.690 97.3 65.3 -61.6 -22.8 -7.4 -18.2 -27.2 51 82 A E H << S+ 0 0 43 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.770 114.0 32.3 -70.5 -23.5 -7.2 -21.9 -28.1 52 83 A Q H << S+ 0 0 106 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.2 0.368 109.5 64.6-116.4 3.0 -10.9 -22.2 -27.3 53 84 A V S < S- 0 0 18 -4,-0.6 -1,-0.1 -3,-0.2 5,-0.1 -0.970 78.7-132.2-127.5 112.7 -12.4 -18.8 -28.2 54 87 A P > - 0 0 57 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.227 27.4-110.6 -58.4 158.5 -12.3 -17.8 -31.9 55 88 A Y G > S+ 0 0 90 1,-0.3 3,-1.2 2,-0.2 4,-0.2 0.836 118.3 56.3 -59.5 -34.6 -11.1 -14.3 -32.5 56 89 A N G 3 S+ 0 0 102 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.675 103.4 53.8 -73.8 -17.6 -14.6 -13.3 -33.6 57 90 A K G X S+ 0 0 110 -3,-1.1 3,-1.5 1,-0.2 -1,-0.3 0.332 79.5 97.3 -97.1 10.0 -16.1 -14.4 -30.4 58 91 A L T < + 0 0 2 -3,-1.2 29,-1.9 1,-0.3 28,-0.7 0.706 66.3 73.7 -70.2 -18.0 -13.7 -12.3 -28.4 59 92 A N T 3 S+ 0 0 118 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.562 70.4 124.9 -71.4 -7.6 -16.3 -9.6 -28.0 60 93 A K < - 0 0 95 -3,-1.5 26,-2.3 25,-0.1 27,-0.2 -0.186 53.3-142.5 -51.5 141.4 -18.0 -11.8 -25.5 61 94 A K E -G 85 0C 126 24,-0.3 2,-0.3 25,-0.1 24,-0.2 -0.674 16.7-170.2-111.4 160.3 -18.6 -10.1 -22.2 62 95 A V E -G 84 0C 16 22,-1.5 22,-2.4 -2,-0.2 2,-0.5 -0.941 28.4-104.9-144.3 157.6 -18.4 -11.3 -18.7 63 96 A H E -G 83 0C 95 -2,-0.3 2,-0.8 20,-0.2 20,-0.2 -0.794 19.9-144.4 -97.0 135.2 -19.4 -9.7 -15.5 64 97 A I E -G 82 0C 0 18,-3.2 17,-3.2 -2,-0.5 18,-0.6 -0.830 20.9-174.1-101.1 110.2 -17.0 -8.2 -13.0 65 98 A N > - 0 0 72 -2,-0.8 3,-1.4 15,-0.2 4,-0.4 -0.566 35.4-112.5 -96.7 158.4 -18.1 -8.7 -9.5 66 99 A K G > S+ 0 0 123 1,-0.3 3,-0.5 -2,-0.2 -1,-0.1 0.716 116.0 61.4 -67.1 -24.1 -16.4 -7.3 -6.4 67 100 A D G 3 S+ 0 0 143 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.359 96.6 66.3 -82.1 5.4 -15.3 -10.7 -5.1 68 101 A D G < S+ 0 0 29 -3,-1.4 2,-0.2 2,-0.0 -1,-0.2 0.716 77.6 102.7 -93.5 -26.5 -13.4 -10.9 -8.4 69 102 A I < + 0 0 39 -3,-0.5 2,-0.3 -4,-0.4 3,-0.0 -0.429 45.0 176.0 -69.2 123.0 -10.9 -8.1 -7.6 70 103 A V - 0 0 37 -2,-0.2 30,-0.4 1,-0.1 29,-0.2 -0.846 42.1 -72.2-120.8 160.8 -7.3 -8.9 -6.6 71 104 A A S S+ 0 0 53 -2,-0.3 28,-0.2 1,-0.1 -1,-0.1 -0.075 110.3 26.9 -52.7 152.3 -4.4 -6.6 -5.9 72 105 A Y S S+ 0 0 149 1,-0.1 27,-2.9 27,-0.1 -1,-0.1 0.992 70.4 141.3 49.5 75.6 -2.7 -4.7 -8.7 73 106 A S > + 0 0 7 25,-0.3 4,-1.9 26,-0.2 5,-0.2 -0.533 17.1 170.2-138.4 61.1 -5.6 -4.6 -11.2 74 107 A P T 4 S+ 0 0 40 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.784 81.0 32.0 -51.9 -26.3 -5.0 -1.1 -12.6 75 108 A I T >4 S+ 0 0 50 21,-0.1 3,-1.3 2,-0.1 4,-0.3 0.900 115.5 49.9 -97.3 -50.9 -7.6 -1.8 -15.2 76 109 A L G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.667 93.0 76.0 -66.3 -20.2 -10.2 -4.2 -13.8 77 110 A E G >< S+ 0 0 110 -4,-1.9 3,-1.0 1,-0.3 -1,-0.3 0.853 91.4 56.7 -60.2 -33.4 -10.8 -2.1 -10.7 78 111 A K G < S+ 0 0 145 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.640 100.5 62.9 -70.3 -14.9 -12.8 0.3 -12.8 79 112 A Y G X + 0 0 73 -3,-1.5 3,-2.1 -4,-0.3 -15,-0.3 0.113 62.3 139.4 -97.3 13.8 -15.1 -2.6 -13.9 80 113 A V T < S+ 0 0 58 -3,-1.0 -15,-0.2 1,-0.3 3,-0.1 -0.503 84.2 6.8 -62.6 126.7 -16.6 -3.5 -10.6 81 114 A G T 3 S+ 0 0 47 -17,-3.2 -1,-0.3 1,-0.3 2,-0.3 0.692 115.6 99.8 74.2 24.1 -20.2 -4.2 -11.3 82 115 A K E < S-G 64 0C 127 -3,-2.1 -18,-3.2 -18,-0.6 2,-0.4 -0.766 73.0-109.1-132.5 171.8 -19.7 -3.9 -15.1 83 116 A D E -G 63 0C 85 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.834 30.7-172.5-104.7 149.4 -19.3 -6.2 -18.0 84 117 A I E -G 62 0C 4 -22,-2.4 -22,-1.5 -2,-0.4 2,-0.1 -0.992 23.1-115.2-140.2 140.2 -16.0 -6.5 -19.8 85 118 A T E > -G 61 0C 33 -2,-0.3 4,-1.3 -24,-0.2 -24,-0.3 -0.345 22.3-119.2 -74.6 163.4 -15.2 -8.3 -23.0 86 119 A L H > S+ 0 0 1 -26,-2.3 4,-2.1 -28,-0.7 3,-0.2 0.899 115.0 57.1 -65.5 -36.8 -12.8 -11.3 -23.2 87 120 A K H > S+ 0 0 67 -29,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.916 107.1 46.1 -59.4 -49.2 -10.6 -9.2 -25.6 88 121 A A H > S+ 0 0 22 -30,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.724 108.7 56.7 -65.4 -29.1 -10.2 -6.4 -23.0 89 122 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.2 -1,-0.2 0.927 108.9 46.5 -66.0 -47.1 -9.4 -8.9 -20.3 90 123 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.888 112.1 50.5 -61.3 -42.8 -6.5 -10.3 -22.4 91 124 A E H X S+ 0 0 76 -4,-2.1 4,-2.7 2,-0.2 5,-0.4 0.893 112.1 46.3 -64.3 -41.3 -5.2 -6.8 -23.1 92 125 A A H X S+ 0 0 4 -4,-1.9 6,-1.9 3,-0.2 4,-1.6 0.900 116.1 45.7 -70.9 -37.2 -5.3 -5.8 -19.4 93 126 A S H < S+ 0 0 0 -4,-2.3 4,-0.5 4,-0.3 -2,-0.2 0.942 121.7 36.7 -66.6 -52.1 -3.6 -9.0 -18.3 94 127 A M H < S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.889 127.4 33.3 -67.8 -46.2 -1.0 -8.9 -21.1 95 128 A T H < S+ 0 0 42 -4,-2.7 88,-0.3 -5,-0.3 87,-0.2 0.741 133.8 22.9 -87.0 -26.7 -0.3 -5.1 -21.2 96 129 A Y S < S- 0 0 122 -4,-1.6 3,-0.2 -5,-0.4 -3,-0.1 0.126 97.4-123.3-124.6 13.7 -0.8 -3.9 -17.6 97 130 A S - 0 0 19 -4,-0.5 2,-0.3 -6,-0.2 -4,-0.3 0.866 42.1-169.7 39.5 52.2 -0.2 -7.3 -16.0 98 131 A D > - 0 0 0 -6,-1.9 4,-1.7 -9,-0.2 -25,-0.3 -0.532 17.9-156.2 -71.7 128.0 -3.6 -6.9 -14.4 99 132 A N H > S+ 0 0 8 -27,-2.9 4,-2.1 -2,-0.3 -26,-0.2 0.877 90.2 49.5 -76.9 -37.2 -4.2 -9.5 -11.7 100 133 A T H > S+ 0 0 1 -30,-0.4 4,-3.0 2,-0.2 5,-0.3 0.964 110.8 52.9 -64.4 -45.0 -8.0 -9.6 -11.7 101 134 A A H > S+ 0 0 0 1,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.903 111.0 46.3 -53.7 -48.3 -8.0 -9.9 -15.5 102 135 A N H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -1,-0.3 0.866 112.9 49.1 -65.1 -38.3 -5.6 -12.9 -15.3 103 136 A N H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.890 112.8 48.4 -65.7 -40.7 -7.7 -14.5 -12.5 104 137 A K H X S+ 0 0 33 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.912 109.7 51.2 -66.3 -41.9 -10.9 -14.0 -14.6 105 138 A I H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.897 109.1 51.5 -61.2 -40.4 -9.2 -15.5 -17.7 106 139 A I H X>S+ 0 0 4 -4,-1.9 5,-3.2 1,-0.2 4,-1.1 0.889 109.9 50.8 -64.2 -36.6 -8.2 -18.4 -15.5 107 140 A K H <5S+ 0 0 114 -4,-1.6 3,-0.5 3,-0.2 -2,-0.2 0.913 107.6 52.0 -64.6 -45.5 -11.9 -18.6 -14.6 108 141 A E H <5S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 108.8 50.6 -61.2 -33.7 -13.0 -18.5 -18.2 109 142 A I H <5S- 0 0 14 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.733 128.8 -97.2 -75.8 -26.9 -10.8 -21.4 -19.0 110 143 A G T <5 - 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