==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-NOV-12 3ZDJ . COMPND 2 MOLECULE: ENCA BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR J.A.GAVIRA,V.A.RISSO,J.M.SANCHEZ-RUIZ . 526 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21194.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 69.0 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 . 78 14.8 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 1 2 3 4 2 1 1 0 2 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 4 0 2 0 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 . 3 1 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 M 0 0 208 0, 0.0 257,-0.1 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 146.2 72.1 59.4 -59.9 2 26 A H - 0 0 35 255,-0.1 3,-0.1 256,-0.1 253,-0.0 -0.910 360.0-116.4-114.3 148.8 70.9 61.4 -62.9 3 27 A P - 0 0 55 0, 0.0 259,-0.1 0, 0.0 5,-0.1 -0.214 60.9 -59.6 -65.1 170.0 67.7 61.0 -64.9 4 28 A Q >> - 0 0 109 1,-0.1 4,-2.1 3,-0.1 3,-1.2 -0.234 59.5-106.0 -51.5 143.7 68.0 60.0 -68.6 5 29 A T H 3> S+ 0 0 1 253,-0.3 4,-2.1 1,-0.3 5,-0.2 0.836 118.1 50.5 -45.6 -52.1 70.0 62.5 -70.6 6 30 A L H 3> S+ 0 0 59 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.847 111.6 49.4 -58.9 -33.7 67.1 64.1 -72.4 7 31 A E H <> S+ 0 0 116 -3,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.899 108.8 52.6 -73.7 -36.8 65.2 64.6 -69.1 8 32 A Q H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.849 107.1 53.6 -63.5 -37.0 68.3 66.2 -67.5 9 33 A I H X S+ 0 0 1 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.941 106.9 50.2 -65.9 -46.4 68.4 68.6 -70.4 10 34 A K H X S+ 0 0 47 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.956 113.3 46.7 -55.2 -49.7 64.8 69.6 -69.9 11 35 A E H X S+ 0 0 96 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.889 112.7 49.0 -62.1 -39.3 65.5 70.2 -66.2 12 36 A S H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.949 109.7 52.0 -66.6 -44.2 68.7 72.1 -66.9 13 37 A E H X>S+ 0 0 19 -4,-3.0 5,-1.6 1,-0.2 4,-0.8 0.902 111.4 48.6 -55.5 -44.7 66.9 74.3 -69.5 14 38 A S H ><5S+ 0 0 90 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.961 110.1 49.6 -63.3 -49.9 64.3 75.1 -66.8 15 39 A Q H 3<5S+ 0 0 119 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.870 117.1 41.3 -56.6 -37.9 66.8 75.9 -64.2 16 40 A L H 3<5S- 0 0 10 -4,-2.4 226,-0.5 -5,-0.2 -1,-0.3 0.578 97.6-142.4 -81.8 -14.4 68.6 78.3 -66.6 17 41 A S T <<5 + 0 0 104 -3,-0.9 -3,-0.2 -4,-0.8 2,-0.1 0.925 68.8 96.8 48.2 47.2 65.3 79.5 -67.9 18 42 A G S -A 232 0A 25 5,-2.9 4,-2.2 -2,-0.5 206,-0.2 -0.714 9.5-149.7 -85.1 122.5 77.9 57.8 -82.3 27 51 A L T 4 S+ 0 0 46 204,-2.4 -1,-0.1 -2,-0.5 205,-0.1 0.918 90.8 39.6 -61.9 -46.1 80.8 57.5 -84.8 28 52 A A T 4 S+ 0 0 102 203,-0.5 -1,-0.2 1,-0.1 204,-0.1 0.925 128.1 25.6 -67.5 -51.4 80.5 53.8 -85.6 29 53 A S T 4 S- 0 0 60 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.711 90.2-125.7 -93.2 -26.7 76.7 53.4 -85.8 30 54 A G < + 0 0 47 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.591 55.4 153.5 84.4 7.9 75.2 56.8 -86.7 31 55 A R - 0 0 184 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.4 -0.518 24.6-162.6 -73.4 142.3 72.9 56.6 -83.6 32 56 A T E -B 25 0A 89 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.963 24.9-161.9-131.1 143.9 71.9 60.0 -82.3 33 57 A L E +B 24 0A 41 -9,-2.1 -9,-2.7 -2,-0.4 2,-0.3 -0.972 33.9 177.9-109.0 133.0 70.5 61.5 -79.2 34 58 A S E +B 23 0A 61 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.994 26.8 176.7-147.6 151.1 69.1 65.0 -80.0 35 60 A Y E S-B 22 0A 47 -13,-2.3 -13,-2.7 -2,-0.3 -2,-0.0 -0.897 85.4 -11.2-152.8 117.4 67.3 67.9 -78.5 36 61 A R S > S+ 0 0 79 -2,-0.3 3,-1.9 -15,-0.2 123,-0.1 0.812 84.9 159.9 57.6 33.2 66.5 71.2 -80.4 37 62 A A T 3 + 0 0 14 1,-0.3 122,-2.5 121,-0.1 123,-0.4 0.730 66.0 42.7 -60.9 -27.4 68.9 69.6 -82.9 38 63 A D T 3 S+ 0 0 139 120,-0.2 -1,-0.3 119,-0.1 2,-0.3 0.221 92.0 100.9-107.7 11.4 67.6 71.8 -85.8 39 64 A E S < S- 0 0 70 -3,-1.9 2,-0.2 1,-0.0 120,-0.1 -0.687 76.0-107.3 -94.1 152.2 67.4 75.1 -84.0 40 65 A R + 0 0 66 -2,-0.3 117,-0.2 117,-0.2 110,-0.1 -0.553 37.6 173.3 -82.9 141.2 70.0 77.8 -84.4 41 66 A F E -E 156 0B 1 115,-2.5 115,-2.0 -2,-0.2 2,-0.3 -0.963 39.1 -98.6-134.4 153.2 72.6 78.7 -81.7 42 67 A P E -E 155 0B 14 0, 0.0 113,-0.3 0, 0.0 196,-0.1 -0.566 24.3-150.0 -70.9 138.5 75.6 81.0 -81.7 43 68 A M > + 0 0 2 111,-2.0 3,-1.9 -2,-0.3 112,-0.1 0.810 25.6 175.5 -76.2 -31.7 78.8 79.2 -82.2 44 69 A M G > S- 0 0 1 110,-0.5 3,-1.7 100,-0.4 4,-0.2 -0.228 72.7 -15.5 48.8-142.1 81.0 81.6 -80.2 45 70 A S G > S+ 0 0 8 167,-0.3 3,-2.0 1,-0.3 4,-0.3 0.604 119.7 86.0 -68.7 -6.7 84.6 80.2 -80.0 46 71 A T G X> S+ 0 0 0 -3,-1.9 3,-1.3 1,-0.3 4,-0.5 0.782 77.4 71.8 -61.5 -19.9 83.5 76.7 -81.1 47 72 A F H X> S+ 0 0 0 -3,-1.7 4,-2.2 1,-0.2 3,-0.9 0.772 77.8 79.0 -65.9 -20.4 83.9 78.0 -84.6 48 73 A K H <> S+ 0 0 0 -3,-2.0 4,-1.9 1,-0.3 -1,-0.2 0.762 85.7 57.6 -62.2 -24.2 87.7 78.0 -84.0 49 74 A V H <> S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.3 -1,-0.3 0.865 108.6 46.4 -70.7 -35.8 87.9 74.2 -84.7 50 75 A L H S+ 0 0 70 -4,-1.4 5,-1.7 2,-0.2 6,-1.5 0.831 109.1 53.6 -70.3 -31.6 95.2 74.5 -97.3 59 84 A V H ><5S+ 0 0 32 -4,-1.7 3,-1.4 4,-0.2 -2,-0.2 0.951 107.8 51.1 -63.8 -47.5 98.2 72.9 -95.7 60 85 A D H 3<5S+ 0 0 25 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.851 110.1 49.7 -55.1 -36.6 97.2 69.6 -97.3 61 86 A A H 3<5S- 0 0 13 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.477 115.6-113.2 -86.4 -4.2 96.9 71.3 -100.7 62 87 A G T <<5S+ 0 0 21 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.504 90.5 108.7 88.3 4.4 100.3 73.0 -100.5 63 88 A L S - 0 0 47 -2,-0.3 3,-1.0 1,-0.1 29,-0.3 -0.993 13.3-142.8-129.1 139.2 102.7 76.0 -94.5 66 91 A L T 3 S+ 0 0 47 -2,-0.4 29,-2.6 1,-0.2 30,-0.3 0.783 102.0 51.4 -72.4 -26.8 102.6 75.3 -90.8 67 92 A D T 3 S+ 0 0 124 27,-0.2 2,-0.3 26,-0.2 -1,-0.2 0.362 79.6 123.3 -91.8 3.6 106.0 76.8 -90.1 68 93 A R < - 0 0 96 -3,-1.0 26,-2.0 1,-0.1 2,-0.4 -0.515 58.8-134.6 -65.5 130.9 105.2 80.0 -91.9 69 94 A R E -F 93 0C 121 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.696 15.2-159.4 -94.4 135.1 105.7 83.0 -89.6 70 95 A I E -F 92 0C 21 22,-3.0 22,-2.0 -2,-0.4 2,-0.4 -0.940 2.1-157.2-117.5 128.9 103.2 85.8 -89.3 71 96 A H + 0 0 135 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.866 18.3 172.0-106.1 138.7 104.1 89.2 -87.9 72 97 A Y - 0 0 14 -2,-0.4 2,-0.2 16,-0.3 19,-0.1 -0.884 22.9-117.7-141.6 171.2 101.4 91.5 -86.5 73 98 A R > - 0 0 83 -2,-0.3 3,-1.3 1,-0.1 4,-0.4 -0.646 28.9-108.8-113.8 163.9 101.1 94.8 -84.6 74 99 A Q G > S+ 0 0 138 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.784 119.7 63.9 -59.5 -26.5 99.7 96.0 -81.3 75 100 A Q G 3 S+ 0 0 153 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.803 94.2 60.2 -63.2 -33.5 96.9 97.5 -83.3 76 101 A D G < S+ 0 0 79 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.551 82.0 107.9 -77.2 -8.8 95.8 94.0 -84.4 77 102 A L < - 0 0 42 -3,-0.9 2,-0.2 -4,-0.4 3,-0.1 -0.516 46.7-173.0 -76.4 133.6 95.1 92.8 -80.8 78 103 A V - 0 0 46 -2,-0.3 30,-0.3 1,-0.2 29,-0.1 -0.688 43.7 -62.6-111.4 173.6 91.6 92.4 -79.7 79 104 A E S S+ 0 0 154 -2,-0.2 28,-0.2 1,-0.2 -1,-0.2 -0.186 115.9 24.8 -54.1 146.6 90.3 91.6 -76.2 80 105 A Y + 0 0 113 1,-0.1 27,-2.7 27,-0.1 28,-0.3 0.985 68.8 143.1 55.9 75.2 91.5 88.2 -74.7 81 106 A S > + 0 0 4 25,-0.2 4,-1.8 26,-0.2 5,-0.2 -0.543 10.4 159.2-137.2 61.9 94.7 87.5 -76.6 82 107 A P T 4 S+ 0 0 40 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.745 76.8 32.5 -65.9 -29.8 96.8 85.8 -73.8 83 108 A V T >4 S+ 0 0 36 2,-0.1 3,-1.5 -3,-0.1 4,-0.4 0.885 117.2 51.2 -90.1 -49.1 99.3 84.0 -76.2 84 109 A T G >4 S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 7,-0.1 0.747 102.3 60.9 -66.3 -24.8 99.5 86.4 -79.1 85 110 A E G >< S+ 0 0 117 -4,-1.8 3,-0.6 1,-0.2 -1,-0.3 0.739 99.8 57.4 -75.5 -18.2 100.2 89.5 -76.9 86 111 A K G < S+ 0 0 160 -3,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.607 106.5 48.2 -81.9 -13.3 103.4 87.7 -75.6 87 112 A H G <> + 0 0 68 -3,-0.8 4,-2.3 -4,-0.4 -1,-0.2 -0.037 66.5 126.1-121.9 30.8 104.9 87.4 -79.1 88 113 A L T <4 S+ 0 0 53 -3,-0.6 -16,-0.3 1,-0.2 -1,-0.1 0.789 79.6 42.2 -59.1 -29.4 104.4 90.8 -80.5 89 114 A A T 4 S+ 0 0 86 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.851 123.5 30.8 -90.8 -36.3 108.1 91.1 -81.4 90 115 A D T 4 S- 0 0 117 1,-0.2 -2,-0.2 -19,-0.0 -1,-0.1 0.568 96.4-143.3-103.4 -11.0 108.9 87.7 -82.9 91 116 A G < - 0 0 2 -4,-2.3 2,-0.3 -7,-0.1 -20,-0.2 -0.107 18.3 -95.1 70.5-174.6 105.5 86.8 -84.4 92 117 A M E -F 70 0C 5 -22,-2.0 -22,-3.0 -4,-0.1 2,-0.1 -0.970 24.2-113.8-139.4 150.2 104.0 83.3 -84.5 93 118 A T E > -F 69 0C 17 -2,-0.3 4,-2.9 -24,-0.3 -24,-0.2 -0.486 33.7-110.7 -76.9 158.6 103.9 80.4 -86.9 94 119 A V H > S+ 0 0 0 -26,-2.0 4,-2.3 -29,-0.3 5,-0.2 0.918 122.7 52.0 -48.1 -47.2 100.6 79.3 -88.4 95 120 A A H > S+ 0 0 28 -29,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.885 109.2 48.6 -61.0 -41.7 100.9 76.2 -86.3 96 121 A E H > S+ 0 0 85 -30,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.881 110.4 51.4 -65.8 -39.7 101.4 78.2 -83.1 97 122 A L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.885 108.7 50.8 -64.9 -40.9 98.5 80.4 -83.9 98 123 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.938 111.6 48.5 -60.5 -44.8 96.2 77.3 -84.5 99 124 A A H X>S+ 0 0 26 -4,-2.2 4,-3.3 1,-0.2 5,-0.5 0.941 113.2 47.1 -63.8 -43.1 97.4 75.9 -81.1 100 125 A A H X>S+ 0 0 4 -4,-2.6 6,-2.2 1,-0.2 4,-1.3 0.888 111.1 51.5 -62.5 -39.7 96.7 79.3 -79.4 101 126 A A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.873 122.1 31.2 -67.8 -33.4 93.3 79.6 -81.0 102 127 A I H <5S+ 0 0 0 -4,-2.0 108,-0.2 -5,-0.2 -2,-0.2 0.910 123.9 39.8 -94.9 -44.7 92.2 76.2 -79.9 103 128 A T H <5S+ 0 0 21 -4,-3.3 87,-2.3 -5,-0.3 88,-0.3 0.819 136.3 16.9 -79.7 -29.0 94.0 75.5 -76.6 104 129 A M T < - 0 0 0 -6,-2.2 4,-1.3 1,-0.2 -25,-0.2 -0.380 11.8-156.2 -55.0 122.3 93.2 83.3 -78.2 107 132 A N H > S+ 0 0 15 -27,-2.7 4,-2.3 -28,-0.2 34,-0.2 0.876 88.5 50.5 -76.0 -40.0 91.0 85.8 -80.2 108 133 A T H > S+ 0 0 1 -28,-0.3 4,-2.5 -30,-0.3 -1,-0.2 0.904 108.1 55.6 -66.5 -36.6 93.7 87.7 -82.0 109 134 A A H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.3 49.5 -59.2 -42.1 95.1 84.3 -83.1 110 135 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.952 110.6 49.3 -62.5 -48.8 91.7 83.4 -84.6 111 136 A N H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.883 109.3 52.8 -60.0 -38.3 91.4 86.7 -86.5 112 137 A L H X S+ 0 0 26 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.966 112.7 43.3 -62.0 -49.0 94.9 86.3 -87.9 113 138 A L H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.3 0.852 109.8 58.4 -64.2 -36.5 94.1 82.8 -89.2 114 139 A L H >X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.1 0.912 101.0 55.7 -58.9 -43.0 90.7 84.0 -90.5 115 140 A A H ><5S+ 0 0 64 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.857 102.4 57.0 -60.6 -31.0 92.5 86.6 -92.6 116 141 A T H 3<5S+ 0 0 31 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.683 109.5 44.0 -75.5 -17.2 94.5 83.8 -94.3 117 142 A I H <<5S- 0 0 24 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.371 129.6 -86.3-111.4 5.8 91.4 81.9 -95.5 118 143 A G T S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 17,-0.4 0.877 140.5 51.9 -50.3 -47.5 84.2 85.0 -92.3 121 146 A A H > S+ 0 0 73 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.823 106.1 56.9 -63.2 -30.6 82.9 84.5 -95.9 122 147 A G H X S+ 0 0 20 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.2 0.922 108.9 44.2 -64.4 -44.1 85.9 82.4 -96.7 123 148 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.899 112.9 52.3 -68.4 -36.7 85.1 80.1 -93.8 124 149 A T H X S+ 0 0 23 -4,-2.4 4,-2.3 13,-0.3 -2,-0.2 0.938 109.1 49.3 -69.6 -40.5 81.5 80.0 -94.9 125 150 A A H X S+ 0 0 47 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.943 108.6 53.0 -58.4 -49.3 82.4 79.1 -98.5 126 151 A F H X S+ 0 0 13 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.932 110.0 49.9 -49.7 -46.6 84.7 76.3 -97.2 127 152 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.4 1,-0.2 3,-0.8 0.920 109.8 48.9 -61.3 -43.1 81.7 75.0 -95.2 128 153 A R H ><5S+ 0 0 80 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.912 108.0 56.0 -65.3 -38.9 79.4 75.1 -98.2 129 154 A N H 3<5S+ 0 0 96 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.733 106.8 49.0 -68.4 -19.6 81.9 73.3 -100.2 130 155 A I T <<5S- 0 0 19 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.327 127.4 -93.9-102.5 9.6 82.1 70.4 -97.8 131 156 A G T < 5S+ 0 0 43 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.616 83.1 127.0 101.2 12.1 78.3 70.0 -97.6 132 157 A D < + 0 0 6 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.913 23.2 170.6-102.7 114.2 77.2 72.1 -94.6 133 158 A N S S+ 0 0 120 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.191 71.2 53.2-107.3 15.7 74.5 74.5 -95.7 134 159 A V S S+ 0 0 44 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.778 83.3 83.0-113.3 -51.1 73.5 75.7 -92.2 135 160 A T + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.253 55.3 175.1 -64.9 139.1 76.6 76.9 -90.4 136 161 A R - 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0 0 1 -4,-2.8 2,-0.3 -7,-0.1 -20,-0.2 -0.079 14.2 -99.1 78.3 176.7 93.8 43.6 -117.8 356 117 B M E -M 334 0F 4 -22,-2.0 -22,-3.5 -4,-0.1 2,-0.1 -0.984 21.0-120.4-138.4 151.3 94.4 46.7 -115.8 357 118 B T E > -M 333 0F 13 -2,-0.3 4,-1.8 -24,-0.3 -24,-0.2 -0.367 32.7-109.1 -83.7 165.9 93.2 48.3 -112.6 358 119 B V H > S+ 0 0 0 -26,-1.4 4,-2.1 -29,-0.3 -27,-0.2 0.899 120.2 52.6 -64.9 -42.1 91.5 51.7 -112.4 359 120 B A H > S+ 0 0 31 -29,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.927 109.8 49.8 -54.5 -45.8 94.5 53.2 -110.6 360 121 B E H > S+ 0 0 85 -30,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.825 108.8 50.6 -66.7 -35.8 96.8 51.9 -113.4 361 122 B L H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.901 109.6 51.0 -72.6 -40.7 94.6 53.3 -116.2 362 123 B C H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.948 112.0 46.9 -56.4 -50.5 94.6 56.7 -114.5 363 124 B A H X>S+ 0 0 27 -4,-2.3 4,-3.0 1,-0.2 5,-0.5 0.917 113.7 49.1 -60.1 -41.3 98.4 56.6 -114.2 364 125 B A H X5S+ 0 0 4 -4,-2.2 6,-2.2 1,-0.2 4,-1.1 0.883 111.3 49.0 -64.0 -40.2 98.7 55.5 -117.8 365 126 B A H <5S+ 0 0 0 -4,-2.4 -1,-0.2 4,-0.3 -2,-0.2 0.867 122.1 32.9 -69.3 -36.2 96.3 58.2 -119.1 366 127 B I H <5S+ 0 0 0 -4,-2.2 108,-0.2 -5,-0.2 -2,-0.2 0.918 123.3 37.9 -92.7 -44.0 98.1 61.0 -117.3 367 128 B T H <5S+ 0 0 17 -4,-3.0 87,-2.5 -5,-0.3 88,-0.5 0.785 136.4 18.5 -84.1 -23.8 101.8 60.1 -117.2 368 129 B M S < - 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0 0 59 -3,-1.7 4,-0.7 -4,-0.2 3,-0.4 0.718 69.9 -94.7 86.9 21.6 78.8 57.6 -119.2 383 144 B G H >> S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 17,-0.4 0.864 138.3 56.3 -53.9 -39.8 81.9 62.4 -123.0 385 146 B A H 3> S+ 0 0 73 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.894 105.9 50.9 -61.0 -40.7 78.4 63.3 -121.9 386 147 B G H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.8 0.915 109.5 49.8 -55.5 -48.5 82.0 69.6 -115.2 392 153 B R H ><5S+ 0 0 81 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.856 106.8 57.4 -61.7 -34.0 78.7 71.4 -115.1 393 154 B N H 3<5S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 106.1 48.4 -72.9 -21.4 78.1 70.1 -111.6 394 155 B I T <<5S- 0 0 29 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.316 129.3 -89.5-103.0 10.9 81.3 71.7 -110.3 395 156 B G T < 5S+ 0 0 45 -3,-1.2 2,-0.7 -4,-0.2 -3,-0.2 0.570 83.9 128.2 103.8 12.3 80.6 75.1 -111.9 396 157 B D < + 0 0 6 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.895 19.3 166.3-106.6 109.9 82.2 74.9 -115.4 397 158 B N S S+ 0 0 122 -2,-0.7 -1,-0.1 -3,-0.1 -5,-0.1 0.286 72.5 51.1-102.5 6.3 79.7 76.0 -118.1 398 159 B V S S+ 0 0 45 -7,-0.1 21,-0.2 23,-0.1 -1,-0.1 0.803 85.3 82.6-107.6 -51.5 82.2 76.4 -120.9 399 160 B T + 0 0 0 22,-0.1 2,-0.3 -8,-0.1 21,-0.2 -0.291 56.3 175.0 -66.0 140.5 84.3 73.2 -121.1 400 161 B R B -L 419 0E 68 19,-2.2 19,-0.5 16,-0.1 2,-0.4 -0.985 24.9-157.9-152.8 137.3 82.8 70.3 -123.0 401 162 B L + 0 0 2 -17,-0.4 -13,-0.2 -2,-0.3 3,-0.1 -0.953 21.6 158.9-113.6 135.4 83.7 66.9 -124.2 402 163 B D + 0 0 61 -2,-0.4 2,-0.2 1,-0.1 -17,-0.2 0.601 57.2 40.7-126.4 -27.4 81.8 65.4 -127.1 403 164 B R - 0 0 20 -19,-0.1 2,-0.2 -20,-0.1 -1,-0.1 -0.713 68.8-119.8-125.8 173.1 84.0 62.7 -128.7 404 165 B W > - 0 0 107 -2,-0.2 4,-1.4 1,-0.1 3,-0.5 -0.472 55.8 -38.7-101.6 174.0 86.3 59.8 -127.7 405 166 B E T 4 S+ 0 0 9 1,-0.3 -1,-0.1 -34,-0.3 0, 0.0 -0.588 119.6 10.2 -70.2 143.4 90.0 59.2 -128.5 406 167 B T T >4 S+ 0 0 51 -2,-0.2 3,-1.4 -64,-0.1 -1,-0.3 -0.978 120.0 60.4-102.4 7.5 91.3 59.8 -131.0 407 168 B E G >4 S+ 0 0 125 -3,-0.5 3,-1.0 1,-0.3 -2,-0.2 0.667 91.9 72.4 -64.1 -20.7 88.6 61.8 -132.8 408 169 B L G 3< S+ 0 0 2 -4,-1.4 3,-0.4 1,-0.3 -100,-0.4 0.666 86.2 64.9 -75.7 -14.3 88.6 64.5 -130.2 409 170 B N G < + 0 0 19 -3,-1.4 69,-2.6 1,-0.2 -1,-0.3 0.083 69.0 107.1 -91.7 24.5 92.0 65.8 -131.3 410 171 B E < - 0 0 48 -3,-1.0 -1,-0.2 67,-0.2 -2,-0.1 0.859 58.1-164.7 -78.8 -40.4 90.6 66.9 -134.7 411 172 B A - 0 0 10 -3,-0.4 93,-0.2 1,-0.2 -2,-0.1 0.887 8.8-176.9 61.8 50.7 90.7 70.6 -133.9 412 173 B L > - 0 0 56 5,-0.1 3,-1.9 1,-0.1 -1,-0.2 -0.663 32.7-112.6 -76.3 126.7 88.5 72.0 -136.7 413 174 B P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.362 102.3 20.6 -64.0 140.5 88.4 75.8 -136.5 414 175 B G T 3 S+ 0 0 84 1,-0.3 2,-0.4 -110,-0.1 -2,-0.0 0.085 95.2 121.0 90.6 -21.8 84.9 77.1 -135.6 415 176 B D < - 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