==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-DEC-00 1GHM . 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) . 11736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 70.8 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 . 10 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.0 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 4 1 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 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 . 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 0 157 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -21.9 28.4 -13.3 -22.6 2 32 A E > - 0 0 110 1,-0.2 4,-1.7 2,-0.1 5,-0.1 -0.602 360.0-151.2 -71.0 128.1 29.5 -16.3 -20.4 3 33 A L H > S+ 0 0 11 -2,-0.4 4,-1.9 2,-0.2 5,-0.2 0.842 96.1 59.4 -70.8 -29.6 26.4 -16.9 -18.3 4 34 A N H > S+ 0 0 96 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 106.2 50.5 -61.6 -41.0 28.6 -18.3 -15.5 5 35 A D H > S+ 0 0 96 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.890 106.4 51.2 -63.0 -43.0 30.2 -14.8 -15.5 6 36 A L H X S+ 0 0 10 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.865 107.1 54.7 -65.6 -33.1 27.0 -12.8 -15.3 7 37 A E H X>S+ 0 0 36 -4,-1.9 5,-1.7 2,-0.2 4,-1.4 0.925 110.9 46.3 -64.9 -41.5 25.8 -14.9 -12.4 8 38 A K H <5S+ 0 0 172 -4,-1.8 3,-0.4 2,-0.2 -2,-0.2 0.951 113.1 49.9 -60.3 -49.9 29.1 -14.0 -10.6 9 39 A K H <5S+ 0 0 126 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.882 121.9 31.4 -57.5 -42.4 28.7 -10.3 -11.6 10 40 A Y H <5S- 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.491 99.7-126.6 -99.5 -2.3 25.2 -10.1 -10.3 11 41 A N T <5S+ 0 0 102 -4,-1.4 224,-0.4 -3,-0.4 2,-0.3 0.953 72.2 121.8 51.1 53.1 25.4 -12.5 -7.5 12 42 A A < - 0 0 7 -5,-1.7 2,-0.5 -6,-0.2 -1,-0.2 -0.892 67.0-112.2-140.8 168.0 22.4 -14.2 -9.1 13 43 A H E -A 233 0A 53 220,-3.0 220,-1.4 -2,-0.3 2,-0.4 -0.904 30.1-157.7-105.9 130.9 21.0 -17.5 -10.6 14 44 A I E -A 232 0A 0 -2,-0.5 2,-0.5 218,-0.2 218,-0.2 -0.924 10.8-173.0-116.0 132.7 20.3 -17.6 -14.3 15 45 A G E +A 231 0A 0 216,-3.0 216,-2.3 -2,-0.4 2,-0.4 -0.981 15.7 178.2-120.4 118.1 17.9 -19.9 -16.1 16 46 A V E +AB 230 29A 0 13,-3.7 13,-2.2 -2,-0.5 2,-0.3 -0.976 17.9 167.1-128.9 137.9 17.9 -19.8 -19.8 17 47 A Y E +AB 229 28A 4 212,-2.1 212,-3.0 -2,-0.4 2,-0.4 -0.964 13.0 172.9-137.9 128.1 16.1 -21.6 -22.6 18 48 A A E -AB 228 27A 0 9,-2.1 9,-2.0 -2,-0.3 2,-0.4 -0.999 8.7-173.4-137.0 137.8 16.2 -20.2 -26.2 19 49 A L E -AB 227 26A 16 208,-2.5 208,-3.2 -2,-0.4 2,-0.8 -0.968 18.6-149.3-135.4 117.4 14.9 -21.9 -29.4 20 50 A D E > -A 226 0A 13 5,-3.0 4,-2.7 -2,-0.4 5,-0.3 -0.776 17.6-156.3 -79.3 113.5 15.5 -20.4 -32.9 21 51 A T T 4 S+ 0 0 24 204,-2.2 -1,-0.2 -2,-0.8 205,-0.1 0.702 85.2 56.2 -72.0 -12.9 12.2 -21.8 -34.4 22 52 A K T 4 S+ 0 0 149 203,-0.2 -1,-0.2 202,-0.1 204,-0.1 0.947 125.0 18.7 -79.4 -48.1 13.6 -21.7 -38.0 23 53 A S T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.678 96.2-127.6 -95.0 -24.8 16.7 -23.9 -37.4 24 54 A G < + 0 0 42 -4,-2.7 2,-0.2 1,-0.3 -3,-0.2 0.530 53.6 156.6 82.9 7.7 15.6 -25.5 -34.2 25 55 A K - 0 0 90 -5,-0.3 -5,-3.0 -6,-0.1 2,-0.3 -0.462 24.3-159.1 -69.4 137.1 18.9 -24.4 -32.6 26 56 A E E -B 19 0A 78 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.861 17.2-159.9-120.4 151.3 18.7 -24.2 -28.8 27 57 A V E -B 18 0A 19 -9,-2.0 -9,-2.1 -2,-0.3 2,-0.4 -0.995 21.2-176.3-125.4 133.9 20.7 -22.4 -26.1 28 59 A K E +B 17 0A 105 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.994 17.2 165.4-135.6 139.3 20.4 -23.8 -22.6 29 60 A F E S-B 16 0A 32 -13,-2.2 -13,-3.7 -2,-0.4 4,-0.1 -0.854 85.7 -18.5-154.3 119.8 21.7 -22.7 -19.2 30 61 A N S > S+ 0 0 67 -2,-0.3 3,-1.6 -15,-0.2 121,-0.1 0.863 89.1 158.4 48.3 38.1 20.4 -24.2 -15.9 31 62 A S T 3 + 0 0 12 1,-0.3 120,-2.1 119,-0.1 121,-0.4 0.641 64.9 47.3 -70.9 -12.3 17.5 -25.0 -18.3 32 63 A D T 3 S+ 0 0 129 117,-0.1 2,-0.4 118,-0.1 -1,-0.3 0.193 87.9 107.6-112.2 16.7 16.1 -27.8 -16.1 33 64 A K S < S- 0 0 68 -3,-1.6 2,-0.2 -4,-0.1 115,-0.1 -0.792 71.8-116.4 -94.1 139.7 16.2 -25.7 -12.8 34 65 A R + 0 0 63 -2,-0.4 2,-0.3 115,-0.2 115,-0.2 -0.534 36.8 170.6 -79.7 140.0 12.9 -24.6 -11.3 35 66 A F E -E 148 0B 1 113,-2.4 113,-2.0 -2,-0.2 2,-0.3 -0.962 44.6 -99.5-140.3 149.0 12.1 -20.8 -10.9 36 67 A A E -E 147 0B 2 -2,-0.3 111,-0.2 111,-0.2 196,-0.2 -0.622 31.1-158.5 -66.2 130.1 8.9 -19.0 -10.0 37 68 A Y > + 0 0 7 109,-1.3 3,-2.0 -2,-0.3 4,-0.2 0.684 24.9 174.7 -84.7 -17.1 7.6 -17.9 -13.4 38 69 A A G > - 0 0 0 108,-0.6 3,-1.7 98,-0.3 -1,-0.2 -0.153 64.2 -4.7 49.1-136.9 5.5 -15.1 -11.8 39 70 A S G > S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.566 116.4 81.3 -67.9 -6.5 3.7 -12.9 -14.3 40 71 A T G X> S+ 0 0 0 -3,-2.0 3,-1.3 1,-0.3 4,-0.6 0.765 80.3 71.4 -68.4 -19.1 5.2 -14.5 -17.4 41 72 A S H <> S+ 0 0 8 -3,-1.7 4,-2.3 1,-0.3 -1,-0.3 0.708 80.1 75.1 -64.1 -24.6 2.5 -17.2 -16.8 42 73 A K H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.837 90.5 56.0 -58.9 -30.6 -0.1 -14.6 -18.0 43 74 A A H <> S+ 0 0 0 -3,-1.3 4,-2.1 -4,-0.3 -1,-0.2 0.894 107.9 47.1 -67.6 -41.6 1.2 -15.2 -21.6 44 75 A I H X S+ 0 0 4 -4,-0.6 4,-2.6 -3,-0.2 -2,-0.2 0.951 113.4 47.0 -64.0 -50.3 0.4 -18.9 -21.4 45 76 A N H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.914 112.3 50.4 -59.0 -47.0 -3.1 -18.4 -19.9 46 77 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.925 111.6 47.9 -58.3 -44.6 -3.9 -15.7 -22.5 47 78 A A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.935 109.9 52.8 -65.6 -38.7 -2.8 -18.0 -25.3 48 79 A I H >X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 3,-0.7 0.949 111.0 47.0 -60.9 -44.2 -4.8 -21.0 -23.9 49 80 A L H >X S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.2 4,-1.1 0.916 107.9 55.2 -62.5 -40.0 -7.9 -18.9 -23.8 50 81 A L H 3< S+ 0 0 5 -4,-2.3 117,-0.3 1,-0.3 -1,-0.2 0.693 99.6 61.8 -68.1 -20.4 -7.3 -17.6 -27.4 51 82 A E H << S+ 0 0 38 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.749 111.6 41.5 -69.6 -23.8 -7.1 -21.3 -28.5 52 83 A Q H << S+ 0 0 100 -3,-1.4 -2,-0.2 -4,-0.7 -1,-0.2 0.659 112.0 48.4 -98.3 -21.2 -10.7 -21.4 -27.2 53 84 A V S < S- 0 0 25 -4,-1.1 -1,-0.2 33,-0.0 5,-0.1 -0.983 79.2-128.8-130.4 118.5 -12.4 -18.2 -28.4 54 87 A P > - 0 0 56 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.260 30.0-108.0 -63.3 152.9 -12.1 -16.9 -31.9 55 88 A Y G > S+ 0 0 97 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.886 119.2 53.8 -49.5 -45.6 -11.0 -13.4 -32.4 56 89 A N G 3 S+ 0 0 112 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.623 106.8 54.7 -66.9 -12.1 -14.5 -12.2 -33.5 57 90 A K G X S+ 0 0 104 -3,-2.3 3,-1.6 1,-0.2 -1,-0.3 0.347 76.4 95.0-101.6 5.7 -15.9 -13.7 -30.3 58 91 A L T < + 0 0 1 -3,-2.0 29,-2.3 -4,-0.3 28,-0.6 0.508 68.2 78.7 -75.1 -2.7 -13.6 -11.8 -28.0 59 92 A N T 3 + 0 0 116 -3,-0.3 -1,-0.3 26,-0.2 -2,-0.1 0.501 65.3 120.4 -81.7 -4.0 -16.3 -9.3 -27.6 60 93 A K < - 0 0 106 -3,-1.6 26,-1.9 25,-0.1 2,-0.3 -0.340 60.8-133.3 -57.1 142.2 -18.0 -11.6 -25.2 61 94 A K E -F 85 0C 136 24,-0.2 2,-0.3 25,-0.1 24,-0.3 -0.798 16.7-162.5-107.0 146.6 -18.5 -10.0 -21.9 62 95 A V E -F 84 0C 13 22,-3.0 22,-2.4 -2,-0.3 2,-0.3 -0.955 23.9-120.0-123.0 140.6 -17.8 -11.3 -18.4 63 96 A H E -F 83 0C 94 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.675 23.1-155.7 -86.2 136.6 -19.2 -9.7 -15.1 64 97 A I E +F 82 0C 0 18,-2.6 17,-2.7 15,-0.4 18,-0.6 -0.942 15.6 174.9-114.1 126.8 -16.7 -8.4 -12.6 65 98 A N >> - 0 0 62 -2,-0.5 3,-2.0 15,-0.2 4,-0.6 -0.782 47.9 -91.8-123.9 174.2 -17.7 -8.1 -8.9 66 99 A K G >4 S+ 0 0 150 1,-0.3 3,-0.8 -2,-0.3 14,-0.1 0.763 119.3 63.1 -55.4 -31.9 -15.8 -7.2 -5.7 67 100 A D G 34 S+ 0 0 147 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.666 97.1 59.0 -67.3 -20.5 -14.8 -10.8 -5.0 68 101 A D G <4 S+ 0 0 40 -3,-2.0 2,-0.4 8,-0.1 -1,-0.2 0.711 82.7 103.8 -79.2 -21.1 -12.8 -10.9 -8.2 69 102 A I << + 0 0 52 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.0 -0.464 41.7 166.7 -75.4 122.9 -10.5 -8.1 -7.3 70 103 A V - 0 0 41 -2,-0.4 30,-0.3 1,-0.1 3,-0.1 -0.776 44.4 -68.5-121.4 171.1 -7.0 -8.9 -6.1 71 104 A A S S+ 0 0 56 -2,-0.3 28,-0.3 1,-0.2 -1,-0.1 -0.122 109.5 27.9 -60.6 156.9 -3.9 -6.5 -5.7 72 105 A Y S S+ 0 0 184 1,-0.1 27,-2.0 26,-0.1 -1,-0.2 0.955 74.9 134.1 56.9 56.6 -2.1 -4.9 -8.6 73 106 A S > + 0 0 5 25,-0.3 4,-1.8 26,-0.2 5,-0.2 -0.656 22.1 169.5-129.7 70.6 -5.1 -4.8 -10.9 74 107 A P T 4 S+ 0 0 63 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.803 79.5 33.5 -55.7 -27.9 -4.8 -1.1 -12.2 75 108 A I T >4 S+ 0 0 44 2,-0.1 3,-1.1 -3,-0.1 4,-0.1 0.892 115.6 50.3 -94.7 -47.5 -7.5 -1.8 -14.9 76 109 A L G >4 S+ 0 0 0 1,-0.2 3,-2.5 2,-0.2 4,-0.2 0.775 93.1 72.3 -69.2 -27.6 -9.9 -4.3 -13.4 77 110 A E G >< S+ 0 0 105 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.798 94.3 59.1 -58.7 -23.4 -10.5 -2.4 -10.1 78 111 A K G < S+ 0 0 138 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.559 97.1 63.2 -79.7 -9.4 -12.5 0.1 -12.2 79 112 A Y G X + 0 0 64 -3,-2.5 3,-2.7 -4,-0.1 -15,-0.4 0.364 63.1 137.7-101.1 6.4 -14.8 -2.6 -13.4 80 113 A V T < S+ 0 0 56 -3,-0.9 -15,-0.2 1,-0.3 3,-0.1 -0.344 83.9 10.2 -55.1 126.8 -16.4 -3.7 -10.1 81 114 A G T 3 S+ 0 0 50 -17,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.528 118.1 95.2 79.5 10.4 -20.1 -4.2 -10.8 82 115 A K E < S-F 64 0C 116 -3,-2.7 -18,-2.6 -18,-0.6 2,-0.3 -0.752 73.3-110.9-126.2 170.4 -19.5 -3.9 -14.5 83 116 A D E -F 63 0C 86 -2,-0.2 2,-0.3 -20,-0.2 -20,-0.2 -0.768 26.4-167.5-101.7 152.3 -18.9 -6.1 -17.5 84 117 A I E -F 62 0C 4 -22,-2.4 -22,-3.0 -2,-0.3 2,-0.1 -0.981 21.9-116.4-136.5 145.0 -15.7 -6.5 -19.5 85 118 A T E > -F 61 0C 37 -2,-0.3 4,-2.1 -24,-0.3 -24,-0.2 -0.447 22.3-122.0 -77.7 155.1 -14.9 -8.1 -22.8 86 119 A L H > S+ 0 0 2 -26,-1.9 4,-2.2 -28,-0.6 5,-0.2 0.833 116.5 57.4 -61.5 -34.3 -12.5 -11.1 -23.1 87 120 A K H > S+ 0 0 62 -29,-2.3 4,-2.4 -27,-0.3 -1,-0.2 0.963 108.2 44.0 -61.3 -50.3 -10.5 -8.8 -25.5 88 121 A A H > S+ 0 0 20 -30,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.847 110.2 57.0 -65.0 -35.7 -10.1 -6.1 -22.8 89 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.940 110.7 43.2 -59.2 -48.9 -9.3 -8.8 -20.1 90 123 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.907 112.9 51.5 -65.9 -41.8 -6.4 -10.1 -22.2 91 124 A E H X>S+ 0 0 63 -4,-2.4 4,-2.7 -5,-0.2 5,-0.5 0.924 112.8 46.9 -59.0 -41.8 -5.2 -6.6 -23.1 92 125 A A H X5S+ 0 0 4 -4,-2.6 6,-1.9 1,-0.2 4,-1.5 0.916 114.2 47.7 -66.7 -43.3 -5.3 -5.7 -19.3 93 126 A S H X5S+ 0 0 0 -4,-2.8 4,-0.7 4,-0.2 -2,-0.2 0.941 119.6 36.7 -59.9 -48.5 -3.5 -8.8 -18.4 94 127 A M H <5S+ 0 0 1 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.868 124.7 36.0 -80.2 -35.0 -0.7 -8.5 -21.1 95 128 A T H <5S+ 0 0 41 -4,-2.7 88,-0.3 -5,-0.3 -3,-0.2 0.838 133.4 22.3 -88.6 -35.1 -0.1 -4.8 -21.1 96 129 A Y H < - 0 0 0 -6,-1.9 4,-1.9 1,-0.2 -25,-0.3 -0.494 14.4-158.2 -70.1 121.5 -3.3 -6.9 -14.3 99 132 A N H > S+ 0 0 8 -27,-2.0 4,-2.3 -2,-0.4 34,-0.3 0.820 89.7 52.5 -73.6 -36.6 -3.7 -9.7 -11.8 100 133 A T H > S+ 0 0 0 -30,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.867 108.6 53.4 -65.8 -35.6 -7.5 -9.7 -11.6 101 134 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.938 108.7 48.5 -63.3 -46.2 -7.5 -10.0 -15.4 102 135 A N H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.931 110.0 51.6 -62.5 -42.6 -5.3 -13.0 -15.3 103 136 A N H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.898 110.6 49.3 -59.2 -41.4 -7.4 -14.7 -12.6 104 137 A K H X S+ 0 0 23 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.827 108.9 52.7 -66.5 -31.2 -10.5 -14.1 -14.8 105 138 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.919 108.4 49.4 -70.0 -43.3 -8.8 -15.5 -17.8 106 139 A I H X>S+ 0 0 5 -4,-2.4 5,-2.9 2,-0.2 4,-1.1 0.931 111.8 49.6 -61.4 -43.1 -7.9 -18.7 -15.9 107 140 A K H <5S+ 0 0 124 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.916 109.7 51.4 -60.6 -44.6 -11.6 -18.9 -14.7 108 141 A E H <5S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.852 106.0 53.9 -60.4 -38.4 -12.7 -18.5 -18.3 109 142 A I H <5S- 0 0 10 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.769 132.5 -95.9 -66.1 -26.8 -10.4 -21.3 -19.4 110 143 A G T <5 - 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0 0 9 -2,-0.3 4,-2.6 -115,-0.2 5,-0.3 -0.790 33.9-114.1-104.9 152.8 12.1 -24.7 -15.7 150 183 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.933 116.5 48.7 -52.2 -42.6 13.3 -22.5 -18.6 151 184 A A H > S+ 0 0 0 -120,-2.1 4,-2.5 2,-0.2 5,-0.2 0.925 112.3 45.1 -66.3 -46.0 13.1 -25.5 -21.0 152 185 A A H > S+ 0 0 12 -121,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.939 116.6 46.8 -63.6 -45.5 9.6 -26.7 -20.0 153 186 A F H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.919 113.7 47.4 -64.2 -43.7 8.2 -23.1 -20.1 154 187 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.908 109.4 53.2 -65.5 -43.9 9.9 -22.3 -23.5 155 188 A K H X S+ 0 0 82 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.915 111.2 47.4 -56.4 -39.3 8.7 -25.6 -25.1 156 189 A T H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.905 111.1 50.0 -70.9 -40.0 5.1 -24.7 -24.0 157 190 A L H X>S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-1.3 0.910 112.1 49.3 -61.5 -44.4 5.4 -21.2 -25.3 158 191 A N H <>S+ 0 0 27 -4,-2.4 5,-3.7 3,-0.2 -2,-0.2 0.949 115.2 42.4 -58.9 -47.5 6.7 -22.5 -28.6 159 192 A K H <5S+ 0 0 101 -4,-2.3 6,-0.2 3,-0.2 -2,-0.2 0.905 119.6 43.8 -69.0 -41.9 3.9 -25.1 -29.0 160 193 A L H <5S+ 0 0 0 -4,-2.7 6,-0.4 -5,-0.2 5,-0.3 0.837 135.5 4.9 -70.4 -40.0 1.2 -22.7 -27.9 161 194 A I T <5S+ 0 0 3 -4,-2.6 3,-0.5 -5,-0.3 -3,-0.2 0.797 128.6 42.1-117.2 -47.4 2.2 -19.6 -29.8 162 195 A A T - 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0 0 16 0, 0.0 3,-2.6 0, 0.0 2,-0.3 -0.466 42.9 -88.5 -68.2 145.5 16.1 -10.9 -35.8 220 253 A K T 3 S+ 0 0 149 1,-0.3 3,-0.1 -2,-0.1 -24,-0.1 -0.428 119.1 21.7 -57.3 117.0 16.0 -8.3 -38.5 221 254 A G T 3 S+ 0 0 89 -2,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.238 105.0 95.9 107.4 -11.3 15.4 -10.2 -41.7 222 255 A Q < - 0 0 44 -3,-2.6 -1,-0.3 1,-0.1 -200,-0.0 -0.941 46.6-172.5-116.2 134.0 13.8 -13.3 -40.1 223 256 A S + 0 0 107 -2,-0.4 -1,-0.1 -3,-0.1 -3,-0.0 0.631 68.9 82.9 -97.2 -15.9 10.1 -13.9 -39.7 224 257 A E S S- 0 0 70 1,-0.1 -202,-0.1 -5,-0.1 2,-0.1 -0.699 82.4-130.1 -85.5 133.8 10.4 -17.0 -37.5 225 258 A P - 0 0 5 0, 0.0 -204,-2.2 0, 0.0 2,-0.6 -0.456 1.4-128.8 -87.4 164.3 11.0 -16.0 -33.9 226 259 A I E -AD 20 217A 0 -9,-3.3 -9,-2.7 -206,-0.2 2,-0.5 -0.941 27.0-136.4-101.7 126.6 13.5 -17.1 -31.5 227 260 A V E -AD 19 216A 0 -208,-3.2 -208,-2.5 -2,-0.6 2,-0.5 -0.795 26.1-170.1 -85.0 124.5 11.7 -18.2 -28.3 228 261 A L E -AD 18 215A 0 -13,-2.9 -13,-2.5 -2,-0.5 2,-0.5 -0.972 13.0-179.0-127.6 119.2 13.6 -16.8 -25.3 229 262 A V E +AD 17 214A 0 -212,-3.0 -212,-2.1 -2,-0.5 2,-0.5 -0.971 3.8 176.1-115.7 119.6 13.0 -17.6 -21.7 230 263 A I E +AD 16 213A 0 -17,-2.4 -17,-2.1 -2,-0.5 2,-0.4 -0.972 0.8 175.4-124.9 119.1 15.1 -16.0 -19.0 231 264 A F E +AD 15 212A 0 -216,-2.3 -216,-3.0 -2,-0.5 2,-0.3 -0.957 7.9 174.1-118.6 138.8 14.3 -16.6 -15.3 232 265 A T E +AD 14 211A 3 -21,-1.0 -21,-1.7 -2,-0.4 2,-0.3 -0.961 6.6 159.7-141.6 156.6 16.5 -15.2 -12.6 233 266 A N E -A 13 0A 8 -220,-1.4 -220,-3.0 -2,-0.3 2,-0.3 -0.968 22.7-132.5-161.2 174.6 16.5 -15.1 -8.7 234 267 A K - 0 0 43 -26,-3.3 -222,-0.1 -2,-0.3 -223,-0.1 -0.810 28.9-101.8-132.5 177.8 18.9 -14.5 -5.8 235 268 A D S S+ 0 0 98 -224,-0.4 2,-0.4 -2,-0.3 -223,-0.1 0.792 93.8 69.9 -73.2 -32.6 19.7 -16.1 -2.5 236 269 A N S > S- 0 0 92 1,-0.1 3,-2.3 4,-0.1 -2,-0.2 -0.771 73.9-135.2 -97.0 134.4 17.9 -13.7 -0.1 237 270 A K T 3 S+ 0 0 122 -2,-0.4 -29,-1.7 1,-0.3 -28,-0.5 0.796 106.4 41.4 -48.2 -39.6 14.2 -13.4 0.2 238 271 A S T 3 S+ 0 0 108 -31,-0.2 -1,-0.3 -30,-0.2 -3,-0.0 0.326 83.0 132.6 -97.4 7.0 14.3 -9.6 0.3 239 272 A D < - 0 0 39 -3,-2.3 -30,-0.8 1,-0.1 -29,-0.1 -0.249 53.1-131.9 -57.9 143.5 16.9 -9.1 -2.5 240 273 A K - 0 0 178 -32,-0.1 2,-0.2 -31,-0.1 -1,-0.1 -0.798 22.0-125.7 -96.2 138.2 16.0 -6.5 -5.1 241 274 A P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 -31,-0.1 -0.541 8.2-140.6 -85.5 159.8 16.5 -7.6 -8.7 242 275 A N > - 0 0 92 -2,-0.2 3,-2.2 -33,-0.2 4,-0.5 -0.978 4.2-155.5-116.3 111.2 18.6 -5.7 -11.3 243 276 A D T >> S+ 0 0 35 -2,-0.5 4,-2.1 1,-0.3 3,-1.0 0.779 89.3 73.7 -57.2 -27.5 16.9 -5.7 -14.7 244 277 A K H 3> S+ 0 0 93 1,-0.3 4,-3.0 2,-0.2 -1,-0.3 0.786 86.4 64.2 -59.1 -27.2 20.3 -5.2 -16.3 245 278 A L H <> S+ 0 0 5 -3,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.926 105.4 42.5 -61.2 -42.6 21.1 -8.8 -15.5 246 279 A I H <> S+ 0 0 1 -3,-1.0 4,-2.5 -4,-0.5 -2,-0.2 0.907 112.7 53.8 -70.2 -40.4 18.3 -9.9 -17.8 247 280 A S H X S+ 0 0 5 -4,-2.1 4,-2.6 -61,-0.4 -2,-0.2 0.952 111.6 45.0 -56.1 -51.3 19.3 -7.4 -20.5 248 281 A E H X S+ 0 0 46 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.842 110.9 53.6 -65.7 -34.3 22.9 -8.7 -20.4 249 282 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.3 46.9 -65.0 -41.7 21.8 -12.3 -20.4 250 283 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.911 109.2 54.0 -66.6 -43.9 19.7 -11.7 -23.6 251 284 A K H X S+ 0 0 118 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.943 113.1 44.1 -54.3 -47.8 22.6 -9.8 -25.3 252 285 A S H < S+ 0 0 12 -4,-2.0 4,-0.3 1,-0.2 3,-0.3 0.923 114.3 47.4 -63.0 -48.2 24.9 -12.9 -24.7 253 286 A V H >< S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.2 4,-0.2 0.923 106.3 57.7 -62.3 -42.5 22.4 -15.5 -25.7 254 287 A M H >< S+ 0 0 5 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.802 93.9 67.3 -61.1 -28.8 21.4 -13.7 -28.9 255 288 A K T 3< S+ 0 0 120 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.662 90.6 65.9 -62.8 -16.7 25.0 -13.8 -30.0 256 289 A E T < 0 0 102 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.542 360.0 360.0 -81.4 -9.0 24.6 -17.6 -30.3 257 290 A F < 0 0 79 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.345 360.0 360.0-112.5 360.0 22.1 -17.1 -33.1