==== 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 23-MAY-07 2Z2M . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2X; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.YAMADA,T.WATANABE,Y.TAKEUCHI . 1234 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54367.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 816 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.7 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 96 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.6 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 2 2 1 1 5 5 3 1 0 0 3 1 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 . 20 6 6 7 1 3 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 . 8 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 62 0, 0.0 2,-0.5 0, 0.0 163,-0.1 0.000 360.0 360.0 360.0 143.5 42.5 -16.7 -1.1 2 75 A K - 0 0 108 155,-0.1 163,-3.6 153,-0.1 2,-0.3 -0.762 360.0-129.6 -85.1 125.5 44.2 -14.5 1.5 3 76 A R - 0 0 9 -2,-0.5 14,-0.3 161,-0.2 152,-0.2 -0.626 33.4-105.7 -74.0 131.1 41.8 -12.7 3.9 4 77 A G - 0 0 1 150,-3.3 2,-0.3 -2,-0.3 163,-0.2 -0.074 35.0-107.0 -54.5 154.9 42.5 -9.0 4.1 5 78 A T - 0 0 5 160,-0.2 163,-2.5 11,-0.1 2,-0.7 -0.672 17.4-136.9 -88.2 138.0 44.2 -7.6 7.2 6 79 A I E -Ab 15 168A 0 9,-2.8 8,-3.4 -2,-0.3 9,-1.9 -0.875 34.5-177.2 -89.4 118.0 42.3 -5.5 9.7 7 80 A Y E -Ab 13 169A 47 161,-3.8 163,-2.7 -2,-0.7 165,-0.2 -0.666 26.0-119.0-109.1 165.5 44.6 -2.6 10.6 8 81 A D > - 0 0 2 4,-2.3 3,-1.4 -2,-0.2 165,-0.2 -0.382 54.3 -80.0 -85.5 179.6 44.5 0.4 13.0 9 82 A R T 3 S+ 0 0 20 163,-2.5 164,-0.1 1,-0.3 162,-0.1 0.779 130.8 43.7 -54.6 -33.1 44.7 3.9 11.6 10 83 A N T 3 S- 0 0 76 162,-0.3 -1,-0.3 2,-0.1 161,-0.1 -0.272 124.4 -92.4-111.5 44.4 48.5 3.8 11.1 11 84 A G S < S+ 0 0 21 -3,-1.4 -2,-0.1 1,-0.2 516,-0.0 0.411 74.2 147.8 67.0 -0.6 48.9 0.3 9.6 12 85 A V - 0 0 58 1,-0.1 -4,-2.3 -5,-0.1 -1,-0.2 -0.543 52.9-117.9 -67.1 124.4 49.4 -1.5 13.0 13 86 A P E +A 7 0A 39 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.468 41.3 167.2 -76.1 136.5 47.9 -4.9 12.3 14 87 A I E S+ 0 0 4 -8,-3.4 2,-0.4 1,-0.3 103,-0.4 0.750 75.8 20.3-109.8 -48.1 44.9 -6.0 14.5 15 88 A A E S+A 6 0A 0 -9,-1.9 -9,-2.8 100,-0.2 -1,-0.3 -0.973 78.5 160.9-129.4 117.4 43.6 -9.1 12.6 16 89 A E E -F 114 0B 64 98,-2.5 98,-3.5 -2,-0.4 2,-0.2 -0.924 38.5 -97.2-137.0 158.2 46.0 -10.9 10.2 17 90 A D E +F 113 0B 43 -14,-0.3 2,-0.2 -2,-0.3 96,-0.2 -0.489 44.1 159.2 -79.3 141.8 46.4 -14.2 8.4 18 91 A A E -F 112 0B 39 94,-2.8 94,-2.5 -2,-0.2 2,-0.5 -0.808 37.1 -97.6-145.1-174.0 48.6 -17.0 9.8 19 92 A T E -F 111 0B 73 -2,-0.2 68,-0.3 92,-0.2 2,-0.3 -0.959 28.9-175.8-123.3 123.9 49.0 -20.8 9.5 20 93 A S E -F 110 0B 6 90,-2.9 90,-2.9 -2,-0.5 2,-0.4 -0.734 20.5-127.7-108.7 165.7 47.7 -23.4 11.8 21 94 A Y E -FG 109 85B 38 64,-3.0 64,-3.3 -2,-0.3 2,-0.5 -0.913 7.8-153.2-124.2 140.9 48.4 -27.2 11.6 22 95 A N E -F 108 0B 13 86,-2.7 86,-2.6 -2,-0.4 61,-0.2 -0.956 18.9-141.3-113.1 122.3 46.2 -30.3 11.5 23 96 A V E +F 107 0B 3 59,-2.7 55,-0.6 -2,-0.5 2,-0.3 -0.509 25.8 164.8 -81.4 145.1 47.7 -33.6 12.8 24 97 A Y E -FH 106 77B 57 82,-2.2 82,-1.7 -2,-0.2 2,-0.4 -0.949 22.8-136.6-147.5 167.2 47.0 -37.0 11.2 25 98 A A E -FH 105 76B 0 51,-2.9 51,-2.5 -2,-0.3 2,-0.6 -0.991 4.2-144.7-135.3 130.3 48.5 -40.4 11.4 26 99 A V E + H 0 75B 20 78,-2.5 15,-2.3 -2,-0.4 49,-0.3 -0.825 24.7 165.7 -89.0 120.8 49.4 -43.1 8.8 27 100 A I + 0 0 20 47,-2.3 2,-0.4 -2,-0.6 48,-0.2 0.378 30.4 127.5-114.6 -0.9 48.9 -46.6 10.2 28 101 A D > - 0 0 31 46,-1.5 3,-0.8 1,-0.2 11,-0.2 -0.457 51.5-151.5 -61.2 115.5 49.0 -48.5 6.9 29 102 A E T 3 S+ 0 0 110 -2,-0.4 -1,-0.2 1,-0.2 11,-0.1 0.583 92.5 52.8 -70.9 -10.5 51.6 -51.2 7.5 30 103 A N T 3 S+ 0 0 135 9,-0.1 2,-1.4 2,-0.1 -1,-0.2 0.634 76.2 104.2 -99.4 -20.0 52.5 -51.3 3.8 31 104 A Y < + 0 0 129 -3,-0.8 8,-1.1 43,-0.1 2,-0.2 -0.515 53.3 146.9 -66.2 92.1 53.2 -47.5 3.4 32 105 A K B -I 38 0C 102 -2,-1.4 6,-0.2 6,-0.2 5,-0.1 -0.746 44.5-105.4-123.5 170.9 57.0 -47.7 3.3 33 106 A S - 0 0 46 4,-2.0 -1,-0.2 -2,-0.2 6,-0.1 0.029 44.5 -86.4 -81.4-167.8 59.9 -45.8 1.6 34 107 A A S S+ 0 0 111 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.928 131.0 48.8 -65.0 -48.7 62.1 -46.7 -1.4 35 108 A T S S- 0 0 118 1,-0.1 -1,-0.2 2,-0.0 -3,-0.0 0.703 122.1-109.5 -62.1 -22.6 64.6 -48.5 0.9 36 109 A G + 0 0 36 1,-0.3 3,-0.1 0, 0.0 -2,-0.1 0.366 67.3 153.0 101.9 0.1 61.6 -50.3 2.5 37 110 A K - 0 0 143 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.3 -0.208 53.2 -87.5 -65.6 153.3 61.9 -48.4 5.8 38 111 A I B +I 32 0C 43 -6,-0.2 -6,-0.2 1,-0.1 -1,-0.1 -0.410 43.6 167.1 -68.5 122.5 58.9 -47.7 8.0 39 112 A L + 0 0 69 -8,-1.1 2,-0.2 -2,-0.2 -13,-0.2 0.099 58.8 78.0-116.0 19.3 56.8 -44.6 7.3 40 113 A Y S S- 0 0 30 -13,-0.1 2,-0.6 -11,-0.1 63,-0.5 -0.730 88.9 -94.3-122.1 168.8 53.9 -45.7 9.5 41 114 A V - 0 0 4 -15,-2.3 2,-0.2 -2,-0.2 63,-0.1 -0.787 41.1-137.0 -84.9 121.2 53.0 -45.8 13.2 42 115 A E >> - 0 0 64 -2,-0.6 3,-2.9 61,-0.2 4,-0.5 -0.566 16.5-121.7 -76.7 142.1 53.9 -49.1 14.7 43 116 A K G >4 S+ 0 0 158 1,-0.3 3,-0.8 -2,-0.2 4,-0.3 0.810 115.5 60.7 -50.0 -32.9 51.4 -50.7 17.1 44 117 A T G 34 S+ 0 0 122 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.591 102.0 52.9 -70.3 -12.6 54.2 -50.7 19.7 45 118 A Q G <> S+ 0 0 20 -3,-2.9 4,-1.8 1,-0.1 3,-0.5 0.490 76.1 98.0-103.8 -7.0 54.4 -46.9 19.4 46 119 A F H S+ 0 0 81 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.881 106.5 49.6 -66.5 -43.3 51.5 -45.3 23.8 48 121 A K H > S+ 0 0 68 -3,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.869 109.8 52.1 -65.4 -38.2 54.3 -42.8 23.1 49 122 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.871 108.4 52.2 -63.9 -39.0 52.0 -40.9 20.6 50 123 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.895 109.1 47.9 -64.7 -44.7 49.3 -40.7 23.3 51 124 A E H X S+ 0 0 96 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.910 113.5 48.1 -62.6 -45.1 51.6 -39.2 25.9 52 125 A V H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 5,-0.4 0.911 112.7 47.7 -61.3 -46.7 53.0 -36.6 23.4 53 126 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 6,-1.5 0.842 112.1 50.6 -65.5 -36.6 49.4 -35.7 22.3 54 127 A H H X S+ 0 0 92 -4,-2.2 4,-0.9 4,-0.2 -2,-0.2 0.935 110.0 51.8 -60.5 -48.5 48.3 -35.4 26.0 55 128 A K H < S+ 0 0 133 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.847 127.3 15.4 -60.6 -41.3 51.3 -33.2 26.7 56 129 A Y H < S+ 0 0 62 -4,-1.8 -3,-0.2 -5,-0.1 -1,-0.2 0.756 132.3 37.6-111.1 -32.0 50.8 -30.6 23.9 57 130 A L H < S- 0 0 19 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.418 97.1-124.3-103.3 -1.1 47.3 -30.9 22.5 58 131 A D < + 0 0 111 -4,-0.9 -4,-0.2 -5,-0.3 2,-0.2 0.827 53.6 164.3 60.5 34.1 45.6 -31.7 25.8 59 132 A M - 0 0 4 -6,-1.5 2,-0.3 -9,-0.1 -1,-0.2 -0.587 47.6-106.4 -83.7 143.6 44.2 -34.9 24.4 60 133 A E > - 0 0 126 -2,-0.2 4,-1.3 1,-0.1 3,-0.3 -0.560 29.8-138.6 -61.5 122.7 42.7 -37.7 26.4 61 134 A E H > S+ 0 0 49 -2,-0.3 4,-1.4 1,-0.2 3,-0.4 0.884 99.3 51.8 -55.0 -45.8 45.4 -40.4 26.2 62 135 A S H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.832 104.3 57.5 -64.3 -35.7 42.9 -43.3 25.8 63 136 A Y H > S+ 0 0 80 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.844 102.9 54.2 -61.3 -38.7 41.2 -41.5 22.8 64 137 A V H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.4 -1,-0.2 0.902 110.1 47.0 -61.9 -43.4 44.6 -41.4 21.0 65 138 A R H X S+ 0 0 84 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.884 111.3 51.9 -63.1 -41.5 44.9 -45.2 21.4 66 139 A E H < S+ 0 0 131 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.835 109.7 47.7 -68.2 -35.8 41.4 -45.7 20.2 67 140 A Q H >< S+ 0 0 42 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.859 113.4 48.1 -72.7 -36.4 41.8 -43.6 17.0 68 141 A L H 3< S+ 0 0 3 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.740 106.5 58.9 -72.8 -24.8 45.0 -45.4 16.2 69 142 A S T 3< S+ 0 0 74 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.608 75.5 129.6 -81.2 -13.1 43.4 -48.8 16.8 70 143 A Q < - 0 0 69 -3,-0.6 3,-0.5 -4,-0.4 2,-0.2 -0.078 56.4-125.6 -49.4 133.8 40.7 -48.3 14.1 71 144 A P S S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.519 79.8 14.3 -82.3 152.0 40.4 -51.2 11.7 72 145 A N S S+ 0 0 168 1,-0.2 2,-0.4 -2,-0.2 -2,-0.1 0.812 92.9 116.0 59.8 39.2 40.5 -50.9 7.9 73 146 A L - 0 0 84 -3,-0.5 -1,-0.2 1,-0.1 3,-0.1 -0.999 49.0-162.5-135.0 140.1 41.9 -47.4 7.6 74 147 A K S S+ 0 0 140 -2,-0.4 -47,-2.3 1,-0.3 -46,-1.5 0.744 85.1 24.1 -88.0 -29.1 45.3 -46.3 6.2 75 148 A Q E -H 26 0B 119 -49,-0.3 2,-0.3 -48,-0.2 -1,-0.3 -0.994 67.0-167.3-142.5 134.4 45.2 -42.9 8.0 76 149 A V E -H 25 0B 4 -51,-2.5 -51,-2.9 -2,-0.4 2,-0.2 -0.872 4.9-157.1-116.7 149.0 43.4 -41.7 11.1 77 150 A S E -H 24 0B 71 -2,-0.3 -53,-0.2 -53,-0.2 -55,-0.0 -0.664 17.0-129.0-115.9 179.0 42.8 -38.2 12.4 78 151 A F > - 0 0 2 -55,-0.6 4,-0.6 1,-0.4 3,-0.3 -0.205 38.4-112.2-133.3 43.0 42.1 -37.0 16.0 79 152 A G T >4 - 0 0 35 1,-0.2 3,-1.5 2,-0.2 -1,-0.4 0.008 68.4 -26.8 64.5-165.5 39.0 -34.7 16.1 80 153 A A G >4 S+ 0 0 90 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.810 134.2 54.4 -54.8 -40.9 38.8 -31.0 17.0 81 154 A K G 34 S+ 0 0 105 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.685 99.8 63.0 -69.7 -20.0 41.9 -30.9 19.1 82 155 A G G << S+ 0 0 0 -3,-1.5 -59,-2.7 -4,-0.6 3,-0.3 0.558 98.8 71.8 -79.4 -10.4 43.9 -32.4 16.2 83 156 A N S < S+ 0 0 82 -3,-1.4 -61,-0.2 -4,-0.3 -62,-0.1 -0.668 89.7 24.1-103.9 160.9 43.1 -29.3 14.2 84 157 A G S S+ 0 0 39 -2,-0.2 2,-0.2 1,-0.2 -62,-0.2 0.804 73.3 170.6 58.4 36.7 44.3 -25.6 14.4 85 158 A I B -G 21 0B 7 -64,-3.3 -64,-3.0 -3,-0.3 -1,-0.2 -0.539 31.2-120.9 -74.2 141.7 47.6 -26.4 16.1 86 159 A T > - 0 0 76 -66,-0.2 4,-2.4 -2,-0.2 5,-0.2 -0.383 22.8-109.1 -77.0 162.3 50.1 -23.5 16.4 87 160 A Y H > S+ 0 0 137 -68,-0.3 4,-2.7 1,-0.2 5,-0.2 0.920 117.5 54.9 -54.6 -48.8 53.6 -23.6 14.9 88 161 A A H > S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 112.7 40.5 -53.6 -51.5 55.2 -23.8 18.4 89 162 A N H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 113.6 54.2 -66.5 -39.5 53.1 -26.9 19.4 90 163 A M H X S+ 0 0 10 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.875 110.8 46.7 -61.9 -40.9 53.5 -28.5 16.0 91 164 A M H X S+ 0 0 86 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.923 111.2 51.4 -64.3 -46.5 57.3 -28.1 16.3 92 165 A S H X S+ 0 0 42 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.787 109.2 50.8 -63.7 -31.6 57.3 -29.5 19.8 93 166 A I H X S+ 0 0 0 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.898 113.8 43.9 -71.8 -43.4 55.3 -32.6 18.7 94 167 A K H X S+ 0 0 69 -4,-1.7 4,-2.5 1,-0.2 3,-0.4 0.929 110.8 54.5 -64.3 -46.6 57.7 -33.3 15.9 95 168 A K H X S+ 0 0 150 -4,-3.0 4,-0.5 1,-0.2 -1,-0.2 0.747 113.7 42.2 -62.0 -26.9 60.8 -32.7 18.0 96 169 A E H X S+ 0 0 37 -4,-0.9 4,-0.8 -5,-0.2 -1,-0.2 0.672 115.6 47.6 -92.8 -21.4 59.6 -35.3 20.6 97 170 A L H <>S+ 0 0 5 -4,-1.2 5,-3.9 -3,-0.4 -2,-0.2 0.707 111.1 49.9 -93.0 -24.5 58.4 -37.9 18.1 98 171 A E H ><5S+ 0 0 131 -4,-2.5 3,-0.7 3,-0.2 -3,-0.2 0.818 109.6 54.1 -74.0 -35.1 61.5 -37.8 16.0 99 172 A A H 3<5S+ 0 0 79 -4,-0.5 -2,-0.2 -5,-0.3 -1,-0.1 0.825 111.7 42.7 -67.5 -34.7 63.5 -38.2 19.3 100 173 A A T 3<5S- 0 0 44 -4,-0.8 -1,-0.2 2,-0.1 -2,-0.2 0.329 117.3-118.0 -91.4 6.4 61.5 -41.3 20.1 101 174 A E T < 5 + 0 0 141 -3,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.925 56.4 158.9 56.5 52.5 61.8 -42.5 16.5 102 175 A V < - 0 0 12 -5,-3.9 3,-0.3 -61,-0.1 2,-0.2 -0.924 18.6-169.4-109.4 114.6 58.1 -42.5 15.7 103 176 A K + 0 0 83 -2,-0.6 -61,-0.2 -63,-0.5 -64,-0.1 -0.635 57.4 52.4 -98.7 157.0 57.3 -42.2 12.0 104 177 A G + 0 0 16 -2,-0.2 -78,-2.5 1,-0.2 2,-0.8 0.329 68.8 119.1 104.4 -6.4 53.9 -41.6 10.4 105 178 A I E +F 25 0B 21 -3,-0.3 2,-0.2 -80,-0.2 -1,-0.2 -0.836 39.0 161.4 -95.3 107.5 52.8 -38.5 12.3 106 179 A D E -F 24 0B 70 -82,-1.7 -82,-2.2 -2,-0.8 2,-0.4 -0.742 27.6-134.0-125.0 172.5 52.3 -35.7 9.7 107 180 A F E -F 23 0B 19 -2,-0.2 -84,-0.2 -84,-0.2 2,-0.2 -0.987 5.3-161.9-133.6 129.9 50.5 -32.3 9.4 108 181 A T E -F 22 0B 68 -86,-2.6 -86,-2.7 -2,-0.4 2,-0.4 -0.557 30.2-121.2 -90.6 171.5 48.4 -30.6 6.9 109 182 A T E -F 21 0B 90 -88,-0.2 -88,-0.2 -2,-0.2 -90,-0.0 -0.914 23.2-170.8-119.4 146.8 48.0 -26.8 7.2 110 183 A S E -F 20 0B 17 -90,-2.9 -90,-2.9 -2,-0.4 2,-0.2 -0.952 32.4-103.9-127.1 150.2 44.9 -24.5 7.6 111 184 A P E -F 19 0B 64 0, 0.0 2,-0.3 0, 0.0 -92,-0.2 -0.552 42.5-171.7 -67.2 138.4 44.5 -20.7 7.4 112 185 A N E -F 18 0B 63 -94,-2.5 -94,-2.8 -2,-0.2 2,-0.5 -0.969 22.5-125.1-131.8 149.1 44.2 -19.2 10.9 113 186 A R E -F 17 0B 4 -2,-0.3 2,-0.4 15,-0.3 -96,-0.2 -0.840 25.9-158.2 -95.0 127.0 43.3 -15.7 12.1 114 187 A S E -F 16 0B 26 -98,-3.5 -98,-2.5 -2,-0.5 106,-0.1 -0.893 13.7-167.8-109.2 135.9 45.9 -14.1 14.4 115 188 A Y > - 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0 0 20 -3,-1.0 2,-0.6 -4,-0.3 -21,-0.3 0.921 40.0-174.2 55.1 52.5 21.4 17.1 37.6 303 396 B S >< - 0 0 0 -5,-3.2 4,-1.8 -8,-0.2 -1,-0.2 -0.666 20.9-164.4 -82.6 119.3 17.9 18.2 38.8 304 397 B N H > S+ 0 0 33 -2,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.862 93.9 50.4 -67.3 -38.3 15.1 16.2 37.1 305 398 B V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 107.9 54.9 -66.7 -41.7 12.5 18.7 38.1 306 399 B G H > S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.895 112.1 41.7 -57.0 -45.2 14.7 21.5 36.7 307 400 B M H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.884 112.7 54.4 -70.9 -38.1 14.9 19.8 33.3 308 401 B T H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.920 106.5 51.5 -62.1 -43.3 11.2 18.9 33.4 309 402 B L H X S+ 0 0 46 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.818 107.8 53.2 -62.3 -31.5 10.3 22.5 34.0 310 403 B L H X S+ 0 0 0 -4,-1.1 4,-1.9 -5,-0.2 -2,-0.2 0.886 106.9 51.5 -68.5 -38.1 12.5 23.4 31.0 311 404 B E H X S+ 0 0 0 -4,-2.2 4,-3.8 1,-0.2 -2,-0.2 0.873 106.1 56.2 -60.7 -39.3 10.5 20.9 28.9 312 405 B Q H < S+ 0 0 102 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.825 106.8 48.2 -64.7 -35.2 7.3 22.6 30.2 313 406 B K H < S+ 0 0 86 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.902 118.5 41.6 -66.9 -42.7 8.5 26.0 28.8 314 407 B M H < S- 0 0 13 -4,-1.9 4,-0.3 -55,-0.1 -2,-0.2 0.912 105.0-141.4 -71.1 -47.0 9.4 24.4 25.5 315 408 B G X - 0 0 26 -4,-3.8 4,-2.2 -5,-0.1 5,-0.1 0.011 23.9 -83.4 91.0 156.9 6.3 22.1 25.2 316 409 B D H > S+ 0 0 44 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.872 121.4 54.6 -66.4 -44.1 5.9 18.6 23.9 317 410 B A H > S+ 0 0 80 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 114.3 41.1 -56.6 -50.6 5.7 19.3 20.2 318 411 B T H > S+ 0 0 45 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.890 114.9 51.7 -65.1 -42.8 9.0 21.3 20.1 319 412 B W H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.927 111.8 46.1 -62.4 -45.3 10.7 18.8 22.5 320 413 B L H X S+ 0 0 33 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.874 108.4 57.9 -61.0 -39.3 9.8 15.8 20.3 321 414 B D H X S+ 0 0 33 -4,-1.9 4,-2.4 -5,-0.3 3,-0.2 0.918 106.6 47.9 -57.6 -44.6 10.9 17.8 17.3 322 415 B Y H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.843 106.0 57.4 -66.7 -34.2 14.4 18.2 18.8 323 416 B L H <>S+ 0 0 0 -4,-1.7 5,-2.6 2,-0.2 -1,-0.2 0.833 110.2 45.8 -62.7 -32.5 14.4 14.4 19.6 324 417 B N H ><5S+ 0 0 65 -4,-1.6 3,-2.1 -3,-0.2 -2,-0.2 0.904 107.6 55.5 -74.4 -44.4 13.9 13.9 15.8 325 418 B R H 3<5S+ 0 0 27 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.833 108.7 49.0 -56.8 -33.9 16.5 16.5 14.9 326 419 B F T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.417 116.2-122.4 -83.1 -0.0 19.0 14.5 17.0 327 420 B K T X 5 + 0 0 72 -3,-2.1 3,-1.1 1,-0.2 -3,-0.2 0.796 48.7 167.2 61.9 34.2 17.7 11.3 15.2 328 421 B F T 3 < + 0 0 1 -5,-2.6 -1,-0.2 1,-0.2 16,-0.1 -0.455 65.2 31.1 -71.6 154.0 16.6 9.4 18.3 329 422 B G T 3 S+ 0 0 24 12,-0.3 -1,-0.2 33,-0.3 15,-0.1 0.294 106.5 92.2 78.3 -9.8 14.5 6.3 17.5 330 423 B V S < S- 0 0 78 -3,-1.1 -1,-0.1 13,-0.1 13,-0.1 -0.972 79.8-123.0-120.8 124.5 16.4 6.0 14.3 331 424 B P - 0 0 28 0, 0.0 10,-0.1 0, 0.0 -95,-0.0 -0.280 12.3-130.5 -66.1 151.1 19.6 3.8 14.1 332 425 B T - 0 0 4 8,-0.3 9,-0.1 -96,-0.1 -96,-0.0 0.875 24.8-156.6 -66.4 -36.5 22.9 5.4 13.0 333 426 B R + 0 0 50 7,-0.2 221,-0.2 3,-0.1 4,-0.0 0.902 28.3 163.6 57.0 45.9 23.5 2.5 10.5 334 427 B F - 0 0 7 2,-0.1 52,-0.3 1,-0.1 -1,-0.1 0.659 64.6 -80.2 -73.2 -16.7 27.2 3.2 10.7 335 428 B G S S+ 0 0 0 1,-0.5 2,-0.3 50,-0.1 -1,-0.1 0.210 94.1 110.7 141.6 -19.0 28.1 -0.1 9.1 336 429 B L S S- 0 0 0 1,-0.1 -1,-0.5 -186,-0.0 3,-0.4 -0.690 70.1-112.4 -81.6 137.3 28.0 -2.9 11.7 337 430 B T S S+ 0 0 56 -2,-0.3 -192,-0.1 -192,-0.2 -188,-0.1 -0.294 90.2 24.2 -68.9 151.5 25.2 -5.4 11.1 338 431 B D S S+ 0 0 88 1,-0.2 2,-0.2 -5,-0.0 -1,-0.2 0.865 76.7 175.2 67.1 42.2 22.2 -5.8 13.4 339 432 B E - 0 0 21 -3,-0.4 -102,-0.2 1,-0.1 -1,-0.2 -0.562 27.0-121.9 -80.1 144.4 22.3 -2.3 15.0 340 433 B Y - 0 0 73 -104,-2.7 -8,-0.3 -2,-0.2 -7,-0.2 -0.279 11.1-153.1 -82.7 169.4 19.6 -1.4 17.5 341 434 B A - 0 0 34 1,-0.2 -12,-0.3 -10,-0.1 23,-0.2 0.529 21.0-148.3-121.8 -11.9 17.2 1.6 17.1 342 435 B G - 0 0 15 21,-0.2 2,-0.3 -14,-0.1 21,-0.3 -0.262 24.8 -97.4 65.3-162.1 16.1 2.5 20.6 343 436 B Q B -T 362 0K 128 19,-2.2 19,-2.9 -13,-0.1 -14,-0.1 -0.904 18.8-129.9-161.4 128.1 12.6 4.0 21.1 344 437 B L - 0 0 49 -2,-0.3 3,-0.1 17,-0.2 2,-0.1 -0.188 49.1 -81.2 -64.4 163.5 11.2 7.5 21.4 345 438 B P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 -0.404 51.1-100.0 -67.0 149.7 8.9 8.3 24.2 346 439 B A - 0 0 48 14,-0.3 2,-2.3 1,-0.1 6,-0.2 -0.365 44.5 -99.1 -61.8 149.2 5.2 7.3 23.9 347 440 B D S S+ 0 0 139 4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.420 87.2 104.6 -80.3 68.6 3.0 10.2 22.9 348 441 B N S > S- 0 0 63 -2,-2.3 4,-1.6 1,-0.0 5,-0.2 -0.938 81.5-109.2-135.2 162.6 1.6 11.1 26.3 349 442 B I H > S+ 0 0 90 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.697 111.2 56.3 -70.2 -19.2 2.5 14.0 28.5 350 443 B V H > S+ 0 0 14 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.958 109.6 40.4 -73.9 -54.9 4.3 11.8 31.2 351 444 B N H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.827 115.0 51.7 -69.4 -33.1 6.9 10.1 28.9 352 445 B I H X S+ 0 0 2 -4,-1.6 4,-0.7 -6,-0.2 -1,-0.2 0.947 113.5 45.7 -66.4 -46.5 7.7 13.2 26.9 353 446 B A H >< S+ 0 0 0 -4,-1.2 3,-0.7 -5,-0.2 4,-0.3 0.879 113.1 50.2 -60.2 -41.5 8.3 15.1 30.2 354 447 B Q H ><>S+ 0 0 26 -4,-2.6 5,-2.2 1,-0.2 3,-1.8 0.840 99.6 64.4 -67.7 -35.1 10.4 12.2 31.6 355 448 B S H ><5S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.738 83.3 78.1 -62.9 -22.7 12.6 12.0 28.4 356 449 B S T <<5S+ 0 0 0 -4,-0.7 -1,-0.3 -3,-0.7 -106,-0.2 0.799 108.0 29.6 -54.6 -31.4 13.8 15.5 29.2 357 450 B F T < 5S- 0 0 14 -3,-1.8 -1,-0.3 -4,-0.3 -110,-0.2 0.156 130.5 -89.1-116.6 17.4 16.0 13.9 31.8 358 451 B G T < 5S+ 0 0 2 -3,-1.4 -115,-1.7 1,-0.3 2,-0.3 0.600 87.5 121.0 91.8 13.2 16.5 10.5 30.1 359 452 B Q < + 0 0 42 -5,-2.2 -1,-0.3 1,-0.2 -2,-0.2 -0.805 68.6 22.9-104.1 149.5 13.5 8.5 31.4 360 453 B G S S+ 0 0 17 -2,-0.3 -14,-0.3 1,-0.2 2,-0.3 0.659 107.6 87.1 74.1 16.1 10.8 7.0 29.2 361 454 B I - 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