==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 02-NOV-07 2ZC3 . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2X; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.YAMADA,T.WATANABE,Y.TAKEUCHI . 1286 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57240.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 823 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 219 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 91 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.3 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 4 3 3 1 4 0 5 5 4 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 3 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 PARALLEL BRIDGES PER LADDER . 16 8 8 4 1 4 0 6 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 3 3 2 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 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 74 A A 0 0 67 0, 0.0 2,-0.3 0, 0.0 155,-0.2 0.000 360.0 360.0 360.0 139.3 42.6 -16.8 -1.6 2 75 A K - 0 0 115 153,-0.1 162,-2.8 155,-0.1 2,-0.4 -0.591 360.0-125.7 -76.0 134.0 44.1 -14.7 1.2 3 76 A R - 0 0 9 -2,-0.3 14,-0.5 160,-0.2 152,-0.2 -0.690 35.2-104.5 -80.0 133.5 41.7 -12.9 3.5 4 77 A G - 0 0 2 150,-2.9 2,-0.3 -2,-0.4 162,-0.2 -0.094 35.3-106.8 -57.5 152.9 42.4 -9.2 3.8 5 78 A T - 0 0 3 159,-0.2 162,-3.0 11,-0.1 2,-0.7 -0.597 16.4-138.6 -83.5 139.1 44.1 -7.7 6.8 6 79 A I E -Ab 15 167A 0 9,-2.7 8,-3.4 -2,-0.3 9,-1.9 -0.905 35.4-178.8 -92.1 115.6 42.2 -5.6 9.4 7 80 A Y E -Ab 13 168A 44 160,-3.6 162,-2.3 -2,-0.7 164,-0.2 -0.568 26.9-119.1-105.0 169.2 44.5 -2.7 10.3 8 81 A D > - 0 0 0 4,-1.8 3,-2.1 160,-0.2 164,-0.2 -0.479 53.2 -81.0 -91.7 178.9 44.5 0.2 12.6 9 82 A R T 3 S+ 0 0 25 162,-2.5 163,-0.1 1,-0.3 161,-0.1 0.763 131.4 43.4 -54.4 -31.7 44.7 3.8 11.2 10 83 A N T 3 S- 0 0 83 161,-0.3 -1,-0.3 2,-0.1 518,-0.1 0.278 124.8 -95.0 -99.9 9.0 48.5 3.6 10.8 11 84 A G S < S+ 0 0 22 -3,-2.1 -2,-0.1 1,-0.3 517,-0.0 0.614 71.3 150.0 86.5 14.3 48.7 0.1 9.4 12 85 A V - 0 0 57 1,-0.1 -4,-1.8 2,-0.0 -1,-0.3 -0.704 52.2-116.0 -74.1 123.3 49.3 -1.8 12.6 13 86 A P E +A 7 0A 42 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.399 41.7 167.4 -68.7 137.7 47.8 -5.2 12.0 14 87 A I E S+ 0 0 4 -8,-3.4 103,-0.4 1,-0.3 2,-0.4 0.689 75.2 19.7-112.6 -42.5 44.8 -6.3 14.2 15 88 A A E S+A 6 0A 0 -9,-1.9 -9,-2.7 100,-0.2 -1,-0.3 -0.984 76.5 157.3-133.7 122.7 43.5 -9.3 12.3 16 89 A E E -F 114 0B 66 98,-2.2 98,-3.2 -2,-0.4 2,-0.1 -0.993 41.7 -95.9-147.8 150.2 45.7 -11.2 9.8 17 90 A D E +F 113 0B 43 -14,-0.5 2,-0.2 -2,-0.3 96,-0.2 -0.408 46.0 160.8 -67.9 134.5 46.0 -14.7 8.1 18 91 A A E -F 112 0B 39 94,-3.2 94,-1.8 -2,-0.1 2,-0.5 -0.695 37.1 -95.8-136.0-169.2 48.4 -17.2 9.6 19 92 A T E -F 111 0B 72 -2,-0.2 68,-0.3 92,-0.2 2,-0.3 -0.970 30.3-176.9-124.9 124.7 48.8 -21.0 9.4 20 93 A S E -F 110 0B 6 90,-2.6 90,-2.6 -2,-0.5 2,-0.3 -0.749 19.6-130.0-110.2 165.2 47.5 -23.6 11.9 21 94 A Y E -FG 109 85B 38 64,-3.0 64,-3.0 -2,-0.3 2,-0.5 -0.894 7.1-152.9-126.2 145.6 48.2 -27.4 11.7 22 95 A N E -F 108 0B 13 86,-2.7 86,-2.5 -2,-0.3 61,-0.2 -0.973 20.9-137.1-119.5 124.1 46.1 -30.5 11.9 23 96 A V E +F 107 0B 2 59,-2.7 55,-0.6 -2,-0.5 2,-0.3 -0.474 27.0 164.9 -83.1 145.6 47.6 -33.8 13.2 24 97 A Y E -FH 106 77B 48 82,-2.0 82,-2.2 53,-0.2 2,-0.4 -0.976 21.8-139.2-150.7 163.5 47.2 -37.2 11.7 25 98 A A E -FH 105 76B 0 51,-3.3 51,-2.8 -2,-0.3 2,-0.6 -0.970 8.6-139.9-128.2 139.6 48.8 -40.7 11.9 26 99 A V E + H 0 75B 14 78,-1.8 15,-2.3 -2,-0.4 49,-0.2 -0.885 24.1 168.1 -97.0 116.9 49.7 -43.4 9.3 27 100 A I + 0 0 23 47,-1.0 2,-0.4 -2,-0.6 48,-0.2 0.207 30.7 133.3-109.4 11.6 49.0 -46.9 10.6 28 101 A D > - 0 0 42 46,-1.1 3,-1.4 1,-0.2 11,-0.2 -0.522 48.0-153.3 -65.6 117.2 49.4 -48.5 7.2 29 102 A E T 3 S+ 0 0 104 -2,-0.4 -1,-0.2 1,-0.3 10,-0.1 0.716 93.3 51.3 -69.6 -21.9 51.6 -51.5 7.9 30 103 A N T 3 S+ 0 0 129 9,-0.1 2,-1.5 8,-0.1 -1,-0.3 0.260 75.9 116.0 -98.4 9.1 53.0 -51.5 4.3 31 104 A Y < + 0 0 118 -3,-1.4 8,-1.4 43,-0.1 2,-0.3 -0.650 44.7 150.2 -82.2 88.8 53.9 -47.8 4.5 32 105 A K B -I 38 0C 111 -2,-1.5 6,-0.2 6,-0.2 5,-0.1 -0.839 43.6-106.3-123.9 157.7 57.7 -48.2 4.1 33 106 A S - 0 0 39 4,-1.9 -1,-0.1 -2,-0.3 6,-0.1 0.080 45.7 -87.4 -70.7-176.5 60.5 -46.1 2.6 34 107 A A S S+ 0 0 114 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.915 135.9 44.0 -57.5 -44.5 62.5 -46.6 -0.6 35 108 A T S S- 0 0 132 1,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.855 124.7-107.9 -63.8 -38.7 64.8 -48.9 1.4 36 109 A G + 0 0 40 1,-0.2 -2,-0.1 -5,-0.0 3,-0.1 0.467 67.4 150.7 114.0 12.6 61.8 -50.5 3.1 37 110 A K - 0 0 126 1,-0.1 -4,-1.9 -5,-0.1 2,-0.3 -0.197 56.2 -75.0 -73.3 167.7 62.3 -48.8 6.5 38 111 A I B +I 32 0C 57 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.471 49.8 161.9 -73.0 122.4 59.5 -48.1 9.0 39 112 A L + 0 0 65 -8,-1.4 2,-0.3 -2,-0.3 -11,-0.1 -0.091 55.8 72.1-126.4 33.0 57.3 -45.0 8.1 40 113 A Y S S- 0 0 35 63,-0.1 2,-0.5 -13,-0.1 63,-0.4 -0.949 88.3 -91.0-144.3 161.5 54.3 -45.9 10.3 41 114 A V - 0 0 4 -15,-2.3 2,-0.2 -2,-0.3 63,-0.1 -0.651 43.8-139.2 -76.7 121.4 53.2 -45.9 13.9 42 115 A E >> - 0 0 68 -2,-0.5 3,-3.4 61,-0.1 4,-0.5 -0.602 18.8-117.2 -85.0 144.7 53.9 -49.4 15.4 43 116 A K T 34 S+ 0 0 153 1,-0.3 4,-0.1 -2,-0.2 -1,-0.1 0.556 116.6 59.5 -57.8 -7.9 51.4 -51.0 17.7 44 117 A T T 34 S+ 0 0 126 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.368 101.6 53.0 -99.4 0.5 54.1 -50.8 20.4 45 118 A Q T X> S+ 0 0 30 -3,-3.4 4,-1.8 2,-0.1 3,-0.6 0.415 76.5 100.8-112.1 -4.5 54.3 -47.0 20.2 46 119 A F H 3X S+ 0 0 18 -4,-0.5 4,-1.9 1,-0.2 -2,-0.1 0.835 82.3 49.9 -50.6 -42.3 50.6 -46.3 20.7 47 120 A N H 3> S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.830 106.9 53.6 -70.5 -33.8 51.1 -45.3 24.3 48 121 A K H <> S+ 0 0 69 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.839 108.2 51.1 -69.5 -34.5 54.0 -42.9 23.6 49 122 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.952 108.1 52.4 -63.0 -50.9 51.8 -41.1 21.1 50 123 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.851 108.7 51.1 -52.4 -42.2 49.0 -40.8 23.7 51 124 A E H X S+ 0 0 109 -4,-1.7 4,-1.8 2,-0.2 3,-0.2 0.960 112.7 43.9 -59.0 -55.6 51.5 -39.3 26.2 52 125 A V H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 5,-0.4 0.905 114.1 50.2 -58.0 -47.1 52.8 -36.6 23.8 53 126 A F H X S+ 0 0 0 -4,-2.9 6,-1.5 1,-0.2 4,-1.4 0.784 109.4 53.5 -63.6 -30.6 49.2 -35.8 22.6 54 127 A H H X S+ 0 0 85 -4,-1.5 4,-0.6 -5,-0.3 -1,-0.2 0.875 110.7 44.8 -70.7 -40.4 48.1 -35.4 26.2 55 128 A K H < S+ 0 0 151 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.1 0.847 127.9 23.3 -75.8 -35.8 50.8 -32.9 27.1 56 129 A Y H < S+ 0 0 53 -4,-1.9 -3,-0.2 -5,-0.2 -2,-0.2 0.678 134.2 30.8-107.5 -23.7 50.6 -30.6 24.1 57 130 A L H < S- 0 0 18 -4,-1.4 -3,-0.2 -5,-0.4 -2,-0.1 0.431 96.5-125.5-114.4 -3.8 47.1 -31.1 22.7 58 131 A D < + 0 0 107 -4,-0.6 2,-0.3 -5,-0.2 -4,-0.3 0.877 51.8 166.1 55.9 43.3 45.3 -31.9 26.0 59 132 A M - 0 0 6 -6,-1.5 2,-0.4 -9,-0.2 -1,-0.2 -0.627 45.4-107.9 -89.1 146.0 44.0 -35.1 24.6 60 133 A E > - 0 0 131 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.599 27.6-140.9 -65.0 123.6 42.4 -38.0 26.5 61 134 A E H > S+ 0 0 58 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.855 98.7 52.3 -59.4 -40.0 45.0 -40.8 26.4 62 135 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.776 105.6 55.8 -71.1 -28.4 42.4 -43.6 25.9 63 136 A Y H > S+ 0 0 77 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.889 103.9 54.2 -65.0 -43.2 40.9 -41.8 22.9 64 137 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.911 109.8 47.6 -57.9 -45.0 44.3 -41.7 21.2 65 138 A R H X S+ 0 0 82 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.870 110.4 51.4 -63.2 -40.8 44.6 -45.5 21.6 66 139 A E H < S+ 0 0 139 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.865 112.1 46.4 -67.7 -37.1 41.0 -46.1 20.3 67 140 A Q H >< S+ 0 0 43 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.911 114.3 46.9 -70.1 -44.3 41.7 -44.0 17.2 68 141 A L H 3< S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.753 110.2 54.8 -67.7 -25.8 45.1 -45.6 16.5 69 142 A S T 3< S+ 0 0 69 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.377 77.1 131.2 -92.2 2.3 43.6 -49.1 17.0 70 143 A Q < - 0 0 68 -3,-1.0 3,-0.5 -4,-0.2 2,-0.1 -0.297 55.7-125.7 -57.9 134.0 40.8 -48.7 14.4 71 144 A P S S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.455 82.5 17.4 -77.0 156.0 40.5 -51.6 11.9 72 145 A N S S+ 0 0 168 1,-0.2 2,-0.4 -2,-0.1 -2,-0.0 0.814 91.1 121.9 56.4 41.1 40.6 -51.1 8.1 73 146 A L - 0 0 78 -3,-0.5 -1,-0.2 1,-0.1 3,-0.1 -1.000 45.4-166.5-134.7 135.1 42.2 -47.6 8.1 74 147 A K S S+ 0 0 152 -2,-0.4 -46,-1.1 1,-0.3 -47,-1.0 0.734 84.1 17.2 -90.8 -25.8 45.4 -46.5 6.4 75 148 A Q E -H 26 0B 121 -49,-0.2 2,-0.3 -48,-0.2 -1,-0.3 -0.991 68.9-161.9-145.6 142.6 45.5 -43.2 8.2 76 149 A V E -H 25 0B 5 -51,-2.8 -51,-3.3 -2,-0.3 2,-0.2 -0.886 0.3-162.7-120.8 151.9 43.8 -41.9 11.3 77 150 A S E -H 24 0B 67 -2,-0.3 -53,-0.2 -53,-0.2 -2,-0.0 -0.713 20.5-124.8-123.3-179.9 43.1 -38.4 12.7 78 151 A F - 0 0 3 -55,-0.6 3,-0.3 1,-0.3 4,-0.3 -0.268 38.5-111.5-133.7 48.7 42.1 -37.2 16.2 79 152 A G > - 0 0 34 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.004 68.1 -27.4 64.1-162.7 39.0 -35.0 16.4 80 153 A A G > S+ 0 0 92 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.815 134.5 53.3 -61.0 -38.2 38.5 -31.3 17.1 81 154 A K G 3 S+ 0 0 117 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.539 98.7 67.4 -76.3 -6.8 41.6 -31.0 19.4 82 155 A G G < S+ 0 0 0 -3,-1.5 -59,-2.7 -4,-0.3 3,-0.3 0.517 96.3 67.2 -87.2 -7.9 43.7 -32.5 16.5 83 156 A N S < S+ 0 0 74 -3,-1.2 -61,-0.2 -61,-0.2 -62,-0.1 -0.660 87.7 30.5-110.9 165.8 43.1 -29.4 14.4 84 157 A G S S+ 0 0 44 -2,-0.2 -62,-0.2 1,-0.2 -1,-0.2 0.753 73.7 167.0 60.1 28.2 44.1 -25.7 14.6 85 158 A I B -G 21 0B 7 -64,-3.0 -64,-3.0 -3,-0.3 -1,-0.2 -0.489 34.0-119.4 -71.3 142.4 47.4 -26.5 16.3 86 159 A T > - 0 0 74 -66,-0.2 4,-2.3 -2,-0.2 5,-0.2 -0.311 21.5-109.9 -76.0 164.9 49.9 -23.6 16.5 87 160 A Y H > S+ 0 0 131 -68,-0.3 4,-2.6 2,-0.2 5,-0.2 0.915 118.0 56.8 -58.4 -44.6 53.4 -23.8 14.9 88 161 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 112.3 38.8 -53.7 -52.8 54.9 -23.9 18.4 89 162 A N H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 113.9 55.5 -68.1 -38.2 52.9 -27.0 19.5 90 163 A M H X S+ 0 0 13 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.879 110.4 46.4 -60.0 -39.9 53.3 -28.6 16.1 91 164 A M H X S+ 0 0 84 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.874 110.8 50.8 -71.7 -39.0 57.1 -28.2 16.4 92 165 A S H X S+ 0 0 37 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.831 106.7 54.9 -68.9 -34.5 57.3 -29.5 20.0 93 166 A I H >X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 3,-0.5 0.940 112.1 43.1 -62.1 -49.0 55.3 -32.7 19.0 94 167 A K H 3X S+ 0 0 67 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.903 108.9 59.5 -59.9 -43.9 57.8 -33.5 16.2 95 168 A K H 3< S+ 0 0 168 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.765 116.1 34.0 -55.1 -30.0 60.7 -32.6 18.6 96 169 A E H S+ 0 0 4 -4,-2.8 5,-3.3 1,-0.2 3,-0.2 0.879 114.5 44.5 -67.1 -38.7 58.1 -38.0 18.7 98 171 A E T <5S+ 0 0 122 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.673 108.3 59.3 -79.7 -17.5 61.2 -38.1 16.6 99 172 A A T 45S+ 0 0 78 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.687 107.6 45.9 -76.6 -22.7 63.2 -38.1 19.9 100 173 A A T <5S- 0 0 35 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.189 120.7-114.1-101.1 13.1 61.4 -41.3 20.7 101 174 A E T 5 + 0 0 145 -3,-0.5 2,-0.6 1,-0.2 -3,-0.2 0.823 62.7 156.0 59.4 37.2 62.1 -42.6 17.2 102 175 A V < - 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0 0 10 -4,-1.1 2,-0.6 -3,-0.5 -21,-0.4 0.964 39.5-175.6 60.3 56.2 21.3 17.2 37.4 302 396 B S >< - 0 0 0 -5,-2.2 4,-1.9 1,-0.2 -1,-0.2 -0.759 22.8-161.9 -89.6 115.0 17.9 18.3 38.6 303 397 B N H > S+ 0 0 29 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.856 92.9 54.2 -61.6 -37.2 15.1 16.4 37.0 304 398 B V H > S+ 0 0 0 2,-0.2 4,-2.6 -37,-0.2 -1,-0.2 0.901 106.8 51.1 -65.2 -42.5 12.6 19.1 38.0 305 399 B G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.923 112.3 44.8 -62.0 -47.7 14.6 21.8 36.3 306 400 B M H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.900 112.8 52.3 -62.6 -40.4 14.9 20.0 33.0 307 401 B T H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.912 108.3 50.6 -64.2 -42.7 11.2 19.1 33.2 308 402 B L H X S+ 0 0 48 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.869 108.7 52.0 -61.9 -37.5 10.3 22.7 33.7 309 403 B L H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.908 110.0 49.0 -61.8 -42.0 12.5 23.6 30.7 310 404 B E H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.878 107.9 55.0 -61.5 -40.7 10.5 21.0 28.7 311 405 B Q H < S+ 0 0 102 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.791 108.5 48.5 -62.7 -31.4 7.3 22.6 30.1 312 406 B K H < S+ 0 0 93 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.897 117.3 40.9 -72.6 -41.9 8.5 26.0 28.7 313 407 B M H < S- 0 0 12 -4,-2.0 4,-0.4 -55,-0.1 -2,-0.2 0.831 106.3-138.3 -75.3 -37.4 9.3 24.5 25.3 314 408 B G X - 0 0 27 -4,-2.9 4,-1.7 -5,-0.2 5,-0.1 -0.064 22.8 -81.7 90.7 164.8 6.2 22.2 25.0 315 409 B D H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 120.8 56.0 -73.6 -42.3 5.8 18.7 23.8 316 410 B A H > S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.897 113.1 40.5 -57.6 -45.6 5.7 19.3 20.0 317 411 B T H > S+ 0 0 44 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.899 113.7 52.1 -73.8 -43.2 9.0 21.2 19.9 318 412 B W H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.917 111.8 47.4 -58.0 -44.1 10.9 18.9 22.3 319 413 B L H X S+ 0 0 41 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.839 108.4 56.4 -64.6 -33.4 9.8 15.9 20.2 320 414 B D H X S+ 0 0 34 -4,-1.3 4,-2.2 -5,-0.2 -2,-0.2 0.886 105.9 49.8 -65.5 -39.8 10.9 17.7 17.1 321 415 B Y H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.855 106.6 55.3 -66.8 -36.3 14.4 18.2 18.6 322 416 B L H <>S+ 0 0 0 -4,-1.7 5,-2.5 2,-0.2 -2,-0.2 0.885 109.8 47.0 -62.4 -39.3 14.5 14.4 19.4 323 417 B N H ><5S+ 0 0 69 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.895 109.8 53.5 -63.7 -42.6 13.7 13.9 15.7 324 418 B R H 3<5S+ 0 0 26 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.840 108.7 48.7 -62.2 -36.0 16.5 16.4 14.8 325 419 B F T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 83,-0.1 -2,-0.2 0.388 115.4-122.9 -82.0 1.6 18.9 14.4 16.9 326 420 B K T X 5 + 0 0 67 -3,-1.4 3,-1.2 1,-0.2 -3,-0.2 0.771 48.4 167.6 63.7 31.1 17.7 11.3 15.1 327 421 B F T 3 < + 0 0 2 -5,-2.5 -1,-0.2 1,-0.2 16,-0.1 -0.522 65.4 30.5 -74.8 146.3 16.7 9.4 18.2 328 422 B G T 3 S+ 0 0 22 12,-0.4 -1,-0.2 33,-0.2 -5,-0.1 0.164 104.9 96.1 87.4 -15.8 14.6 6.3 17.5 329 423 B V S < S- 0 0 81 -3,-1.2 -1,-0.2 -6,-0.1 11,-0.1 -0.929 78.6-122.5-112.7 123.8 16.5 5.9 14.2 330 424 B P - 0 0 22 0, 0.0 10,-0.1 0, 0.0 -95,-0.0 -0.229 15.1-129.0 -59.4 150.6 19.6 3.6 13.9 331 425 B T - 0 0 4 8,-0.2 9,-0.1 -96,-0.1 -96,-0.0 0.877 24.3-154.5 -64.8 -36.1 22.9 5.3 12.8 332 426 B R + 0 0 54 3,-0.1 223,-0.2 1,-0.1 4,-0.1 0.854 33.1 160.2 58.3 41.4 23.3 2.5 10.2 333 427 B F - 0 0 7 2,-0.1 52,-0.3 1,-0.1 3,-0.1 0.561 64.2 -78.5 -76.0 -11.9 27.0 3.3 10.4 334 428 B G S S+ 0 0 0 1,-0.4 2,-0.4 50,-0.1 -1,-0.1 0.168 95.0 104.6 142.2 -23.7 28.1 -0.1 8.9 335 429 B L S S- 0 0 0 1,-0.1 -1,-0.4 -185,-0.0 3,-0.4 -0.738 71.4-109.3 -90.2 137.6 27.9 -3.0 11.3 336 430 B T S S+ 0 0 51 -2,-0.4 -191,-0.1 -191,-0.3 -187,-0.1 -0.204 90.0 23.6 -66.5 150.3 25.0 -5.4 10.8 337 431 B D S S+ 0 0 99 1,-0.2 2,-0.3 -5,-0.0 -1,-0.2 0.850 75.2 177.5 71.7 40.0 22.1 -5.8 13.2 338 432 B E - 0 0 20 -3,-0.4 -1,-0.2 1,-0.1 -102,-0.2 -0.583 23.7-128.1 -80.0 136.0 22.1 -2.4 14.7 339 433 B Y - 0 0 75 -104,-2.4 -8,-0.2 -2,-0.3 24,-0.1 -0.079 8.1-148.6 -74.8 179.3 19.4 -1.6 17.2 340 434 B A - 0 0 36 1,-0.1 -12,-0.4 -10,-0.1 23,-0.2 0.537 19.4-145.2-130.7 -16.4 17.1 1.5 17.0 341 435 B G - 0 0 14 21,-0.2 2,-0.3 -14,-0.1 21,-0.3 -0.220 26.5 -96.1 67.0-167.8 16.1 2.6 20.5 342 436 B Q B -S 361 0J 135 19,-2.5 19,-2.3 -13,-0.1 -14,-0.1 -0.902 17.1-130.8-156.5 125.2 12.7 4.1 21.1 343 437 B L - 0 0 59 -2,-0.3 2,-0.1 17,-0.2 3,-0.1 -0.156 51.8 -81.1 -58.1 160.2 11.2 7.6 21.3 344 438 B P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.422 50.6-101.5 -69.6 147.2 8.9 8.2 24.3 345 439 B A - 0 0 55 14,-0.4 2,-2.2 1,-0.1 6,-0.2 -0.251 46.1 -91.8 -61.5 154.6 5.3 7.1 24.1 346 440 B D S S+ 0 0 146 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.425 89.8 98.1 -80.1 73.5 2.7 9.8 23.3 347 441 B N S > S- 0 0 59 -2,-2.2 4,-2.2 1,-0.0 5,-0.2 -0.973 80.6-112.3-150.7 156.4 1.7 10.9 26.8 348 442 B I H > S+ 0 0 86 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.705 112.2 57.2 -68.1 -21.2 2.8 13.8 29.0 349 443 B V H > S+ 0 0 15 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.955 112.3 38.4 -70.8 -51.8 4.6 11.6 31.6 350 444 B N H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.875 116.2 51.1 -69.7 -39.6 7.0 9.9 29.1 351 445 B I H < S+ 0 0 4 -4,-2.2 4,-0.5 -6,-0.2 -1,-0.2 0.940 114.5 44.2 -62.2 -47.5 7.6 13.1 27.1 352 446 B A H >< S+ 0 0 0 -4,-1.4 3,-1.0 -5,-0.2 -2,-0.2 0.883 112.7 52.3 -63.3 -40.0 8.4 15.0 30.2 353 447 B Q H ><>S+ 0 0 33 -4,-2.3 3,-1.7 1,-0.2 5,-1.7 0.805 97.5 66.3 -66.4 -32.0 10.6 12.1 31.6 354 448 B S G ><5S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.677 82.7 76.1 -66.1 -18.3 12.6 12.0 28.3 355 449 B S G < 5S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.5 -106,-0.2 0.703 107.3 32.9 -65.1 -21.1 14.0 15.5 29.1 356 450 B F G < 5S- 0 0 14 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.047 128.2 -91.9-123.5 23.5 16.2 13.7 31.7 357 451 B G T < 5S+ 0 0 0 -3,-1.2 -115,-2.3 1,-0.3 2,-0.3 0.715 87.9 111.9 81.7 24.3 16.7 10.3 29.8 358 452 B Q < + 0 0 14 -5,-1.7 -1,-0.3 -117,-0.1 -2,-0.2 -0.942 68.4 31.3-125.3 151.9 13.9 8.2 31.2 359 453 B G S S+ 0 0 20 -2,-0.3 -14,-0.4 1,-0.2 2,-0.3 0.602 109.6 83.6 75.9 11.9 10.9 6.9 29.2 360 454 B I - 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