==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE BINDING PROTEIN 05-FEB-09 2WAD . COMPND 2 MOLECULE: PENICILLIN-BINDING PROTEIN 2B; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CONTRERAS-MARTEL,C.DAHOUT-GONZALEZ,A.DOS-SANTOS-MARTINS,M. . 1818 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 82673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1207 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 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 . 2 0.1 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 . 121 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 487 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 9 3 0 10 3 4 7 5 5 1 4 2 4 0 0 0 0 3 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 3 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 . 18 1 11 10 9 2 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 6 0 3 3 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 50 A S 0 0 111 0, 0.0 225,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.5 113.0 -29.2 20.7 2 51 A Q E -A 225 0A 117 223,-0.2 2,-0.5 2,-0.0 223,-0.2 -0.956 360.0-165.6-150.9 128.9 110.7 -30.6 18.0 3 52 A T E -A 224 0A 42 221,-2.1 221,-2.5 -2,-0.3 2,-0.4 -0.971 17.7-145.9-116.5 121.9 108.2 -28.8 15.8 4 53 A K E -A 223 0A 132 -2,-0.5 2,-0.4 219,-0.2 219,-0.2 -0.700 13.9-164.8 -92.4 138.4 105.7 -31.1 14.0 5 54 A V E -A 222 0A 28 217,-2.0 217,-2.2 -2,-0.4 2,-0.5 -0.970 8.1-153.4-129.3 143.7 104.4 -30.3 10.5 6 55 A T E -A 221 0A 61 -2,-0.4 2,-0.3 215,-0.2 215,-0.2 -0.932 9.8-170.8-115.7 122.4 101.5 -31.6 8.5 7 56 A T - 0 0 72 213,-2.3 2,-0.1 -2,-0.5 120,-0.0 -0.869 24.0-112.9-110.4 153.1 101.4 -31.6 4.7 8 57 A S - 0 0 36 -2,-0.3 2,-0.2 211,-0.2 210,-0.1 -0.346 25.7-155.8 -76.3 156.1 98.3 -32.4 2.4 9 58 A S - 0 0 18 208,-0.2 208,-0.3 233,-0.1 2,-0.2 -0.513 34.8 -63.8-115.7-167.7 97.9 -35.4 0.1 10 59 A A - 0 0 15 -2,-0.2 234,-3.2 208,-0.1 208,-0.2 -0.570 51.0-114.8 -81.7 142.0 95.8 -36.2 -3.0 11 60 A R - 0 0 17 -2,-0.2 205,-0.2 232,-0.2 204,-0.1 -0.459 28.5-114.0 -75.3 140.6 92.0 -36.2 -2.9 12 61 A G - 0 0 0 203,-2.9 234,-0.2 233,-0.2 2,-0.2 -0.236 37.9-122.9 -62.9 166.8 90.1 -39.4 -3.5 13 62 A E - 0 0 18 231,-0.2 234,-1.8 10,-0.1 2,-0.4 -0.660 7.3-118.3-120.8 173.5 88.0 -39.6 -6.6 14 63 A I E -c 247 0B 0 -2,-0.2 8,-3.0 232,-0.2 9,-0.7 -0.938 27.3-175.8-121.0 128.6 84.4 -40.2 -7.7 15 64 A Y E -cD 248 21B 15 232,-2.2 234,-3.3 -2,-0.4 2,-0.1 -0.883 21.6-125.4-125.9 148.4 83.2 -43.0 -9.9 16 65 A D > - 0 0 1 4,-2.6 3,-1.7 -2,-0.3 236,-0.2 -0.325 48.4 -85.2 -81.9 177.7 79.9 -44.0 -11.5 17 66 A A T 3 S+ 0 0 31 234,-2.3 235,-0.2 1,-0.3 -1,-0.1 0.629 129.1 46.9 -63.0 -19.4 78.4 -47.5 -10.9 18 67 A S T 3 S- 0 0 69 233,-0.2 -1,-0.3 2,-0.1 234,-0.1 0.436 123.6 -98.5-102.3 -2.4 80.4 -49.1 -13.8 19 68 A G S < S+ 0 0 27 -3,-1.7 479,-0.2 1,-0.3 -2,-0.1 0.527 71.9 145.3 104.0 5.2 83.7 -47.5 -12.7 20 69 A K - 0 0 126 1,-0.1 -4,-2.6 2,-0.0 -1,-0.3 -0.582 52.0-115.5 -73.2 136.4 83.9 -44.5 -15.1 21 70 A P B -D 15 0B 55 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.437 24.5-171.2 -71.5 145.6 85.6 -41.5 -13.4 22 71 A L S S+ 0 0 0 -8,-3.0 143,-1.8 -2,-0.1 2,-0.2 0.533 71.7 29.2-107.2 -15.8 83.5 -38.4 -12.8 23 72 A V E -G 164 0C 1 -9,-0.7 2,-0.3 141,-0.2 141,-0.2 -0.787 67.7-141.7-136.5-177.3 86.5 -36.2 -11.8 24 73 A E E -G 163 0C 74 139,-2.1 139,-3.1 -2,-0.2 2,-0.7 -0.993 9.6-147.2-154.0 132.2 90.2 -35.8 -12.3 25 74 A N E -G 162 0C 34 -2,-0.3 2,-0.3 137,-0.2 137,-0.2 -0.932 30.2-161.7-100.4 111.9 93.2 -35.0 -10.3 26 75 A T E -G 161 0C 52 135,-2.7 135,-1.8 -2,-0.7 2,-0.4 -0.761 10.3-131.6-106.1 141.9 95.5 -33.2 -12.7 27 76 A L E +G 160 0C 119 -2,-0.3 2,-0.3 133,-0.2 133,-0.2 -0.762 28.6 173.8 -96.5 130.0 99.3 -32.7 -12.2 28 77 A K E -G 159 0C 52 131,-1.0 131,-1.1 -2,-0.4 2,-0.4 -0.811 31.8-114.3-123.9 169.4 100.9 -29.2 -12.6 29 78 A Q E +G 158 0C 107 -2,-0.3 2,-0.3 129,-0.2 107,-0.3 -0.905 41.8 174.3-105.2 140.9 104.4 -27.7 -12.1 30 79 A V E -G 157 0C 15 127,-3.5 127,-2.3 -2,-0.4 2,-0.6 -0.954 38.5-109.9-146.3 149.0 104.6 -25.0 -9.4 31 80 A V E -G 156 0C 3 100,-0.4 100,-3.2 -2,-0.3 2,-0.3 -0.817 42.4-165.6 -81.1 122.8 107.0 -22.7 -7.5 32 81 A S E -GH 155 130C 8 123,-3.0 123,-2.0 -2,-0.6 2,-0.4 -0.852 10.5-156.2-111.0 146.5 107.1 -24.0 -3.9 33 82 A F E -GH 154 129C 0 96,-2.9 96,-2.2 -2,-0.3 2,-0.6 -0.989 3.0-167.0-123.9 124.8 108.4 -22.3 -0.8 34 83 A T E - H 0 128C 58 119,-1.7 2,-0.3 -2,-0.4 94,-0.2 -0.950 21.6-144.5-108.2 119.4 109.6 -24.2 2.3 35 84 A R - 0 0 42 92,-1.8 91,-2.1 -2,-0.6 2,-0.3 -0.627 4.8-146.6 -94.8 146.6 110.1 -21.8 5.2 36 85 A S > - 0 0 27 -2,-0.3 3,-1.2 89,-0.2 89,-0.0 -0.837 22.1-126.6-105.7 145.2 112.7 -21.9 8.0 37 86 A N T 3 S+ 0 0 51 -2,-0.3 -1,-0.1 1,-0.2 88,-0.1 0.624 109.3 58.2 -60.4 -12.3 112.1 -20.7 11.6 38 87 A K T 3 S+ 0 0 102 2,-0.0 2,-0.4 5,-0.0 -1,-0.2 0.601 72.8 112.2-101.9 -11.1 115.2 -18.5 11.1 39 88 A M < - 0 0 28 -3,-1.2 2,-0.0 4,-0.1 -4,-0.0 -0.464 55.8-149.2 -63.0 117.2 114.2 -16.4 8.1 40 89 A T > - 0 0 74 -2,-0.4 4,-1.3 1,-0.1 5,-0.1 -0.240 31.7-103.6 -72.7 175.2 113.7 -12.7 9.1 41 90 A A H > S+ 0 0 34 2,-0.2 4,-1.8 1,-0.2 32,-0.1 0.820 127.0 54.7 -68.5 -31.4 111.2 -10.6 7.2 42 91 A T H > S+ 0 0 41 2,-0.2 4,-2.3 31,-0.2 -1,-0.2 0.909 102.9 52.6 -67.2 -45.6 114.3 -9.1 5.5 43 92 A D H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.850 109.8 52.9 -55.6 -33.4 115.5 -12.5 4.4 44 93 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.913 106.5 49.5 -69.2 -41.8 112.0 -12.9 2.9 45 94 A K H X S+ 0 0 41 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.883 109.5 52.6 -64.3 -40.0 112.2 -9.6 1.0 46 95 A E H X S+ 0 0 98 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.892 112.1 45.6 -63.3 -39.4 115.6 -10.6 -0.5 47 96 A I H X S+ 0 0 10 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.870 110.0 54.7 -68.4 -38.2 114.1 -14.0 -1.6 48 97 A A H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.936 110.9 44.2 -62.3 -46.4 111.0 -12.3 -3.1 49 98 A K H < S+ 0 0 86 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.702 109.6 53.4 -80.2 -23.0 113.0 -9.9 -5.3 50 99 A K H < S+ 0 0 92 -4,-1.3 3,-0.5 -5,-0.2 4,-0.3 0.817 111.8 50.4 -64.2 -36.6 115.5 -12.5 -6.5 51 100 A L H >X S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 4,-1.1 0.838 96.7 66.5 -72.9 -33.9 112.3 -14.5 -7.5 52 101 A L T 3< S+ 0 0 40 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.781 90.4 65.6 -61.8 -25.1 110.7 -11.6 -9.3 53 102 A T T 34 S+ 0 0 102 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.813 109.8 37.8 -63.0 -25.1 113.5 -11.7 -11.9 54 103 A Y T <4 S+ 0 0 69 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.618 114.6 49.1-105.9 -15.4 112.2 -15.2 -12.9 55 104 A V S < S- 0 0 11 -4,-1.1 2,-0.5 -3,-0.1 81,-0.0 -0.779 72.3-120.1-126.3 168.7 108.4 -14.9 -12.7 56 105 A S - 0 0 67 78,-0.4 78,-2.3 -2,-0.3 2,-0.5 -0.936 19.6-179.0-113.5 128.3 105.6 -12.5 -13.8 57 106 A I + 0 0 3 -2,-0.5 58,-0.1 76,-0.2 55,-0.0 -0.917 21.0 149.4-124.9 97.7 103.3 -10.7 -11.5 58 107 A S + 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 54,-0.0 0.858 63.5 52.9 -99.2 -43.2 100.8 -8.7 -13.5 59 108 A S + 0 0 87 2,-0.0 2,-0.8 53,-0.0 -1,-0.2 -0.763 68.6 177.3-100.0 92.5 97.6 -8.7 -11.4 60 109 A P + 0 0 34 0, 0.0 2,-0.7 0, 0.0 52,-0.0 -0.837 6.9 174.3-104.4 104.0 98.7 -7.5 -7.9 61 110 A N - 0 0 142 -2,-0.8 2,-0.4 54,-0.0 -2,-0.0 -0.747 13.8-169.3-109.5 86.0 95.8 -7.1 -5.4 62 111 A L - 0 0 32 -2,-0.7 2,-0.2 4,-0.0 53,-0.0 -0.592 13.3-143.6 -86.6 128.2 97.3 -6.2 -2.0 63 112 A T > - 0 0 66 -2,-0.4 4,-2.1 1,-0.1 3,-0.4 -0.522 27.8-115.4 -79.3 151.1 95.3 -6.2 1.3 64 113 A E H > S+ 0 0 117 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.791 116.9 55.7 -66.1 -26.9 96.2 -3.5 3.8 65 114 A R H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.900 107.6 50.2 -67.0 -40.8 97.4 -6.0 6.4 66 115 A Q H > S+ 0 0 58 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.903 110.8 50.0 -59.4 -40.1 99.8 -7.3 3.6 67 116 A L H X S+ 0 0 23 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.824 111.9 46.8 -68.5 -30.8 100.9 -3.7 3.1 68 117 A A H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.860 110.7 53.2 -79.4 -36.2 101.5 -3.1 6.8 69 118 A D H X S+ 0 0 34 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.957 111.2 44.6 -58.0 -56.1 103.4 -6.4 7.1 70 119 A Y H >< S+ 0 0 22 -4,-2.3 3,-0.5 1,-0.2 4,-0.3 0.893 113.9 51.6 -55.7 -42.4 105.8 -5.5 4.2 71 120 A Y H >< S+ 0 0 68 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.889 109.7 47.8 -65.4 -40.0 106.2 -2.0 5.7 72 121 A L H 3< S+ 0 0 13 -4,-2.2 6,-0.3 1,-0.2 -1,-0.2 0.615 86.8 91.8 -76.7 -13.1 107.1 -3.3 9.2 73 122 A A T << + 0 0 9 -4,-1.0 -1,-0.2 -3,-0.5 -31,-0.2 0.754 63.7 89.9 -55.0 -29.4 109.5 -5.7 7.7 74 123 A D S <> S- 0 0 60 -3,-0.9 4,-2.5 -4,-0.3 5,-0.2 -0.645 77.4-144.2 -71.2 121.4 112.3 -3.1 8.1 75 124 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.873 98.9 45.9 -53.3 -46.7 113.7 -3.8 11.6 76 125 A E H > S+ 0 0 123 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.960 113.0 50.1 -62.6 -52.9 114.3 -0.1 12.3 77 126 A I H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.855 109.1 52.8 -54.0 -38.4 110.9 0.9 11.0 78 127 A Y H X S+ 0 0 71 -4,-2.5 4,-1.0 -6,-0.3 -1,-0.2 0.922 113.5 42.7 -65.8 -41.5 109.3 -1.8 13.2 79 128 A K H >X S+ 0 0 123 -4,-2.0 4,-3.0 1,-0.2 3,-1.2 0.986 113.8 51.0 -63.8 -57.6 111.1 -0.4 16.3 80 129 A K H 3< S+ 0 0 113 -4,-3.2 4,-0.5 1,-0.3 -1,-0.2 0.783 109.8 50.4 -50.7 -34.3 110.4 3.2 15.4 81 130 A T H 3< S+ 0 0 15 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.720 112.6 45.3 -84.4 -21.7 106.6 2.5 14.9 82 131 A V H X< S+ 0 0 40 -3,-1.2 3,-1.8 -4,-1.0 -2,-0.2 0.864 107.6 58.6 -80.4 -39.4 106.3 0.7 18.3 83 132 A E T 3< S+ 0 0 131 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.722 103.8 56.2 -52.9 -25.0 108.3 3.5 19.9 84 133 A A T 3 S+ 0 0 77 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.1 0.039 88.5 104.5-104.3 23.3 105.6 5.8 18.6 85 134 A L < 0 0 48 -3,-1.8 -3,-0.1 1,-0.1 11,-0.0 -0.400 360.0 360.0 -95.7 173.0 102.6 4.0 20.3 86 135 A P 0 0 173 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.163 360.0 360.0 -97.1 360.0 100.5 4.9 23.3 87 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 88 149 A E >> 0 0 117 0, 0.0 4,-1.9 0, 0.0 3,-1.8 0.000 360.0 360.0 360.0 107.8 103.7 -9.3 24.7 89 150 A S H 3> + 0 0 97 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.805 360.0 52.5 -43.9 -45.3 105.5 -9.2 21.3 90 151 A E H 3> S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.785 110.1 49.0 -64.9 -30.0 102.5 -10.7 19.5 91 152 A L H <> S+ 0 0 98 -3,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.841 110.8 49.9 -78.6 -35.2 100.2 -8.1 21.0 92 153 A Y H X S+ 0 0 119 -4,-1.9 4,-3.3 2,-0.2 5,-0.2 0.824 105.9 55.9 -75.0 -32.4 102.6 -5.2 20.0 93 154 A N H X S+ 0 0 47 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.969 111.0 44.6 -57.5 -53.4 102.8 -6.5 16.4 94 155 A N H X S+ 0 0 84 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.826 115.1 49.6 -60.8 -32.1 99.0 -6.3 16.1 95 156 A A H X S+ 0 0 42 -4,-1.4 4,-0.5 2,-0.2 3,-0.2 0.925 112.1 45.1 -74.3 -47.0 99.1 -2.9 17.8 96 157 A V H >< S+ 0 0 0 -4,-3.3 3,-1.4 1,-0.2 -2,-0.2 0.913 107.9 62.0 -59.8 -43.7 101.8 -1.5 15.5 97 158 A D H 3< S+ 0 0 16 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 102.5 47.4 -45.5 -48.9 99.9 -3.0 12.6 98 159 A S H 3< S+ 0 0 112 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.618 103.8 68.7 -73.3 -10.4 96.8 -0.8 13.2 99 160 A V S << S+ 0 0 72 -3,-1.4 2,-0.5 -4,-0.5 -1,-0.2 0.561 79.2 84.1 -88.8 -14.6 99.0 2.3 13.5 100 161 A P S S- 0 0 24 0, 0.0 2,-0.9 0, 0.0 4,-0.1 -0.818 78.6-124.3-100.9 134.0 100.3 2.7 10.0 101 162 A T - 0 0 113 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.591 17.1-147.2 -71.0 103.1 98.2 4.5 7.3 102 163 A S S S+ 0 0 26 -2,-0.9 2,-0.5 1,-0.2 -1,-0.1 0.254 79.9 94.9 -62.9 15.0 97.9 2.0 4.5 103 164 A Q + 0 0 162 -2,-0.2 -1,-0.2 2,-0.1 2,-0.1 -0.554 56.2 143.9 -98.4 61.9 98.0 4.9 2.0 104 165 A L - 0 0 56 -2,-0.5 2,-0.6 -4,-0.1 -2,-0.0 -0.430 54.7-106.9 -88.0 170.9 101.8 4.5 1.5 105 166 A N + 0 0 152 -2,-0.1 2,-0.5 0, 0.0 -2,-0.1 -0.858 41.4 169.3-114.4 107.2 103.3 5.1 -1.9 106 167 A Y - 0 0 33 -2,-0.6 5,-0.1 4,-0.0 -2,-0.0 -0.944 30.2-130.2-122.0 118.8 104.6 2.1 -3.9 107 168 A T > - 0 0 82 -2,-0.5 4,-2.0 1,-0.1 0, 0.0 -0.127 36.7-104.3 -55.4 166.3 105.7 2.0 -7.5 108 169 A E H > S+ 0 0 121 2,-0.2 4,-0.5 1,-0.2 -1,-0.1 0.805 122.5 50.7 -71.0 -32.3 104.1 -0.7 -9.6 109 170 A D H >> S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 3,-1.1 0.901 107.5 54.4 -67.4 -45.4 107.2 -2.9 -9.6 110 171 A E H >> S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.924 101.2 59.9 -49.3 -48.0 107.4 -2.5 -5.8 111 172 A K H 3X S+ 0 0 70 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.770 101.3 55.9 -54.8 -25.7 103.9 -3.8 -5.6 112 173 A K H < S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.940 112.6 52.7 -65.8 -47.7 106.3 -16.3 1.4 121 182 A N H 3< S+ 0 0 46 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.791 99.2 65.5 -55.5 -32.1 105.3 -14.8 4.7 122 183 A A T 3< S+ 0 0 83 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.3 0.593 81.7 96.3 -69.4 -11.6 102.0 -16.8 4.7 123 184 A V S < S- 0 0 15 -3,-1.7 3,-0.1 -4,-0.3 -89,-0.0 -0.655 75.7-124.3 -88.0 130.8 103.9 -20.1 4.9 124 185 A G > - 0 0 41 -2,-0.4 3,-1.7 1,-0.2 -89,-0.5 -0.206 43.1 -72.7 -65.4 163.9 104.2 -21.7 8.4 125 186 A N T 3 S- 0 0 76 1,-0.3 -89,-0.2 -91,-0.1 -1,-0.2 -0.376 119.1 -2.2 -54.8 126.0 107.5 -22.6 9.9 126 187 A F T 3 S+ 0 0 23 -91,-2.1 -1,-0.3 1,-0.2 -90,-0.1 0.438 108.4 124.0 68.6 0.9 108.9 -25.8 8.2 127 188 A A < - 0 0 30 -3,-1.7 -92,-1.8 -120,-0.0 2,-0.4 -0.382 56.8-135.0 -86.1 169.1 105.8 -25.9 6.1 128 189 A T E +H 34 0C 71 -94,-0.2 2,-0.3 -3,-0.1 -94,-0.2 -0.990 28.1 170.8-128.4 119.8 105.7 -26.0 2.3 129 190 A G E -H 33 0C 11 -96,-2.2 -96,-2.9 -2,-0.4 2,-0.3 -0.917 34.8-102.6-129.3 159.7 103.2 -23.7 0.4 130 191 A T E -H 32 0C 36 -2,-0.3 2,-0.9 -98,-0.2 -98,-0.2 -0.613 23.2-140.2 -82.4 135.0 102.7 -22.8 -3.3 131 192 A I - 0 0 5 -100,-3.2 -100,-0.4 -2,-0.3 2,-0.1 -0.820 23.4-139.3 -97.4 96.5 103.9 -19.4 -4.5 132 193 A A + 0 0 22 -2,-0.9 2,-0.3 -102,-0.1 -13,-0.1 -0.321 36.8 152.2 -63.7 129.6 101.1 -18.2 -6.9 133 194 A T - 0 0 38 -2,-0.1 -76,-0.2 -76,-0.0 3,-0.1 -0.880 54.9 -68.7-142.5 169.6 102.4 -16.5 -10.1 134 195 A D S S- 0 0 43 -78,-2.3 -78,-0.4 -2,-0.3 -77,-0.0 -0.473 81.9 -71.1 -59.2 142.4 101.2 -16.0 -13.6 135 196 A P - 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.077 51.3-134.2 -42.8 141.0 101.3 -19.4 -15.4 136 197 A L - 0 0 36 -107,-0.3 -107,-0.1 -3,-0.1 -81,-0.0 -0.900 10.8-146.1-106.7 117.1 104.8 -20.7 -16.1 137 198 A N > - 0 0 93 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.089 37.8 -92.7 -64.0 178.3 105.7 -22.2 -19.5 138 199 A D H > S+ 0 0 143 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.758 122.6 43.9 -72.5 -27.3 108.2 -25.1 -19.7 139 200 A S H > S+ 0 0 83 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.891 110.1 53.8 -87.3 -44.4 111.3 -23.0 -20.3 140 201 A Q H >> S+ 0 0 50 1,-0.2 4,-1.6 2,-0.2 3,-0.6 0.938 111.4 49.4 -49.5 -51.8 110.5 -20.4 -17.7 141 202 A V H 3X S+ 0 0 8 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 107.8 52.0 -52.8 -48.5 110.2 -23.4 -15.3 142 203 A A H 3< S+ 0 0 60 -4,-1.4 4,-0.5 1,-0.2 -1,-0.2 0.642 105.3 55.5 -74.3 -13.5 113.5 -25.0 -16.2 143 204 A V H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.9 0.931 108.9 54.6 -60.4 -46.8 114.0 -21.6 -12.1 145 206 A A H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.807 107.9 53.1 -52.9 -31.1 114.9 -25.2 -11.6 146 207 A S H 34 S+ 0 0 68 -4,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.693 121.8 24.2 -84.9 -20.9 118.5 -24.3 -12.7 147 208 A I H X< S+ 0 0 23 -4,-1.0 3,-2.8 -3,-0.9 4,-0.3 0.384 84.9 109.7-122.9 7.0 119.1 -21.4 -10.2 148 209 A S G >< + 0 0 23 -4,-1.7 3,-1.8 1,-0.3 6,-0.3 0.765 68.0 71.8 -57.9 -29.1 116.7 -22.3 -7.4 149 210 A K G 3 S+ 0 0 175 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.669 87.6 65.1 -54.3 -19.9 119.7 -23.2 -5.2 150 211 A E G < S+ 0 0 94 -3,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.714 98.0 61.1 -79.3 -17.9 120.4 -19.4 -5.0 151 212 A M S X S- 0 0 4 -3,-1.8 3,-1.8 -4,-0.3 -1,-0.2 -0.909 88.8-128.3-115.8 103.9 117.1 -18.9 -3.2 152 213 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -116,-0.1 -0.209 91.1 7.6 -50.6 128.8 116.7 -20.6 0.2 153 214 A G T 3 S+ 0 0 30 1,-0.2 -119,-1.7 -120,-0.1 2,-0.3 0.103 100.8 119.5 93.3 -23.4 113.5 -22.6 0.5 154 215 A I E < +G 33 0C 8 -3,-1.8 2,-0.3 -6,-0.3 -1,-0.2 -0.582 28.9 140.2 -88.8 136.4 112.6 -22.2 -3.2 155 216 A S E -G 32 0C 49 -123,-2.0 -123,-3.0 -2,-0.3 2,-0.4 -0.980 47.9-106.7-158.8 163.0 112.2 -25.1 -5.6 156 217 A I E +G 31 0C 33 -2,-0.3 2,-0.3 -125,-0.2 -125,-0.2 -0.819 48.1 150.0 -91.2 138.1 110.0 -26.3 -8.4 157 218 A S E -G 30 0C 46 -127,-2.3 -127,-3.5 -2,-0.4 2,-0.4 -0.915 41.9 -93.6-151.3-174.4 107.6 -29.2 -7.6 158 219 A T E +G 29 0C 77 -2,-0.3 -129,-0.2 -129,-0.2 2,-0.1 -0.856 36.6 169.1-112.0 139.9 104.2 -30.5 -8.8 159 220 A S E -G 28 0C 11 -131,-1.1 -131,-1.0 -2,-0.4 2,-0.3 -0.278 26.5-101.6-120.5-154.2 100.7 -29.8 -7.3 160 221 A W E -G 27 0C 77 -133,-0.2 2,-0.4 -2,-0.1 19,-0.2 -1.000 12.5-163.0-139.4 146.7 97.1 -30.5 -8.4 161 222 A D E -G 26 0C 77 -135,-1.8 -135,-2.7 -2,-0.3 2,-0.6 -0.896 26.2-136.2-107.3 152.1 94.0 -29.0 -9.9 162 223 A R E -G 25 0C 40 -2,-0.4 2,-0.4 -137,-0.2 -137,-0.2 -0.954 25.1-169.8-104.7 122.5 90.8 -30.9 -9.3 163 224 A K E -G 24 0C 88 -139,-3.1 -139,-2.1 -2,-0.6 2,-0.6 -0.927 19.5-141.2-117.1 144.2 88.6 -31.1 -12.5 164 225 A I E -G 23 0C 75 -2,-0.4 -141,-0.2 -141,-0.2 6,-0.1 -0.873 27.9-132.8 -93.9 119.8 85.0 -32.3 -13.0 165 226 A L - 0 0 41 -143,-1.8 2,-0.9 -2,-0.6 5,-0.0 -0.347 29.3 -94.6 -71.1 154.7 84.7 -34.2 -16.3 166 227 A E S S+ 0 0 199 3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.584 74.2 128.6 -70.1 104.1 81.9 -33.5 -18.8 167 228 A T S > S- 0 0 32 -2,-0.9 3,-1.5 -145,-0.1 4,-0.3 -0.954 73.3-103.6-151.6 168.9 79.2 -36.0 -17.8 168 229 A S T 3 S+ 0 0 28 -2,-0.3 3,-0.2 1,-0.3 145,-0.1 0.590 120.5 55.0 -76.1 -10.7 75.5 -36.0 -17.0 169 230 A L T >> S+ 0 0 1 1,-0.1 4,-1.0 2,-0.1 3,-0.5 0.231 76.7 101.6-100.9 10.5 76.4 -36.4 -13.3 170 231 A S H X> S+ 0 0 48 -3,-1.5 4,-1.0 1,-0.2 3,-0.6 0.890 75.3 56.4 -63.8 -41.5 78.7 -33.3 -13.1 171 232 A S H 34 S+ 0 0 50 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.808 109.7 47.4 -59.2 -28.3 76.1 -31.0 -11.4 172 233 A I H <4 S+ 0 0 0 -3,-0.5 35,-1.8 1,-0.2 -1,-0.2 0.675 96.9 70.7 -91.2 -19.0 75.8 -33.5 -8.6 173 234 A V H << S- 0 0 0 -4,-1.0 35,-2.1 -3,-0.6 36,-0.2 0.938 88.1-156.6 -63.6 -50.5 79.6 -34.1 -8.0 174 235 A G < - 0 0 9 -4,-1.0 2,-0.3 33,-0.2 32,-0.2 -0.395 13.8 -74.5 101.5-176.3 80.1 -30.6 -6.5 175 236 A S - 0 0 52 -2,-0.1 29,-2.6 -12,-0.0 30,-1.0 -0.782 26.7-141.5-119.0 166.0 83.2 -28.4 -6.3 176 237 A V B -I 203 0D 30 -2,-0.3 27,-0.3 27,-0.3 -14,-0.1 -0.955 33.0-102.1-121.5 143.6 86.4 -28.3 -4.2 177 238 A S - 0 0 14 25,-3.3 5,-0.1 -2,-0.4 6,-0.0 -0.383 41.3-116.0 -62.1 138.9 88.1 -25.1 -2.9 178 239 A S - 0 0 58 3,-0.1 24,-0.1 1,-0.1 -1,-0.1 -0.301 18.2-115.2 -71.6 159.7 91.2 -24.0 -4.9 179 240 A E S > S+ 0 0 47 -19,-0.2 3,-0.7 1,-0.2 -1,-0.1 0.852 118.5 52.8 -60.3 -38.3 94.7 -24.0 -3.4 180 241 A K T 3 S+ 0 0 129 1,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.928 110.1 44.5 -59.7 -53.8 94.6 -20.2 -3.9 181 242 A A T 3 S- 0 0 65 1,-0.2 -1,-0.2 18,-0.0 -2,-0.1 -0.242 89.8-170.9 -91.0 46.2 91.3 -19.7 -2.0 182 243 A G < - 0 0 11 -3,-0.7 20,-0.4 -2,-0.7 17,-0.2 0.527 52.2 -3.9 -6.2-114.4 92.4 -22.0 0.8 183 244 A L S S- 0 0 17 15,-1.4 2,-0.3 18,-0.1 5,-0.1 -0.569 85.6 -95.7 -85.0 155.4 89.5 -22.8 3.2 184 245 A P > - 0 0 15 0, 0.0 3,-0.6 0, 0.0 4,-0.3 -0.617 31.6-141.0 -64.1 128.6 86.1 -21.2 3.0 185 246 A A G > S+ 0 0 85 -2,-0.3 3,-0.6 1,-0.2 4,-0.3 0.810 95.6 63.3 -67.1 -31.6 86.2 -18.2 5.4 186 247 A E G 3 S+ 0 0 153 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.856 118.8 26.4 -58.5 -38.3 82.6 -18.8 6.6 187 248 A E G X> S+ 0 0 85 -3,-0.6 4,-1.5 1,-0.1 3,-0.9 0.256 84.4 122.8-109.8 7.6 83.5 -22.1 8.0 188 249 A A H <> S+ 0 0 30 -3,-0.6 4,-1.6 -4,-0.3 5,-0.2 0.787 76.2 50.7 -39.7 -39.6 87.2 -21.3 8.6 189 250 A E H 3> S+ 0 0 158 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.873 103.4 56.8 -76.0 -40.4 86.8 -22.2 12.3 190 251 A S H <> S+ 0 0 51 -3,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.926 111.2 44.4 -49.9 -47.7 85.1 -25.5 11.8 191 252 A Y H X>S+ 0 0 25 -4,-1.5 5,-2.9 2,-0.2 4,-1.2 0.832 110.0 49.7 -79.5 -35.9 88.1 -26.8 9.7 192 253 A L H <5S+ 0 0 90 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.921 116.9 47.0 -61.7 -45.1 91.1 -25.6 11.8 193 254 A K H <5S+ 0 0 178 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.975 105.7 54.4 -56.4 -64.2 89.3 -27.2 14.7 194 255 A K H <5S- 0 0 175 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.783 133.4 -89.9 -49.1 -28.2 88.5 -30.5 13.0 195 256 A G T <5S+ 0 0 54 -4,-1.2 -3,-0.2 1,-0.2 -1,-0.1 0.286 80.4 135.4 143.7 -7.7 92.2 -30.7 12.3 196 257 A Y < - 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0 0 42 -3,-2.6 -1,-0.4 2,-0.0 2,-0.3 -0.179 54.8 -29.7 54.3-150.0 26.0 -40.4 -10.7 370 431 A S S S+ 0 0 76 -20,-0.1 -20,-0.2 -4,-0.0 -22,-0.0 -0.776 74.2 161.0 -98.5 145.0 26.7 -41.5 -7.1 371 432 A F E -R 349 0I 36 -22,-1.7 -22,-3.1 -2,-0.3 2,-0.1 -0.995 41.6 -88.1-161.8 155.6 27.9 -45.0 -6.3 372 433 A P E -R 348 0I 31 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 -0.433 42.5-176.9 -70.7 146.8 29.6 -47.2 -3.8 373 434 A I E -R 347 0I 1 -26,-2.2 -26,-2.5 -2,-0.1 2,-0.1 -0.978 14.7-146.8-150.6 127.6 33.4 -47.4 -3.8 374 435 A T > - 0 0 26 -2,-0.3 4,-2.6 -28,-0.2 -29,-0.2 -0.281 37.4-100.4 -83.1 178.0 35.9 -49.4 -1.8 375 436 A A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.926 124.5 51.5 -70.7 -38.9 39.4 -48.2 -0.9 376 437 A V H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 113.4 44.8 -59.0 -43.5 41.0 -50.2 -3.7 377 438 A E H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.823 105.1 61.4 -76.8 -36.9 38.5 -48.6 -6.2 378 439 A A H X>S+ 0 0 4 -4,-2.6 5,-2.0 2,-0.2 4,-0.9 0.881 110.9 41.1 -50.5 -42.8 39.1 -45.2 -4.8 379 440 A L H <5S+ 0 0 1 -4,-1.7 3,-0.3 3,-0.2 -2,-0.2 0.937 113.3 53.5 -72.1 -44.2 42.7 -45.6 -5.8 380 441 A E H <5S+ 0 0 10 -4,-2.3 159,-1.7 1,-0.2 160,-0.2 0.882 121.4 30.8 -56.2 -42.2 41.8 -47.2 -9.2 381 442 A Y H <5S- 0 0 30 -4,-3.0 -1,-0.2 157,-0.2 -18,-0.2 0.510 104.4-122.9 -95.0 -10.0 39.5 -44.3 -10.1 382 443 A S T <5 - 0 0 7 -4,-0.9 2,-0.4 -3,-0.3 -19,-0.4 0.941 38.9-165.6 62.0 49.2 41.3 -41.5 -8.3 383 444 A S >< - 0 0 1 -5,-2.0 4,-0.8 -6,-0.2 -1,-0.2 -0.521 23.4-169.6 -70.2 121.5 38.2 -40.6 -6.3 384 445 A N H > S+ 0 0 22 -2,-0.4 4,-2.2 2,-0.2 5,-0.3 0.805 85.5 65.0 -72.1 -30.8 38.3 -37.3 -4.6 385 446 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.872 99.4 51.9 -59.7 -38.9 35.0 -38.2 -2.7 386 447 A Y H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 114.6 39.7 -66.3 -42.2 36.8 -41.0 -0.8 387 448 A V H X S+ 0 0 2 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.756 113.6 53.0 -83.1 -29.0 39.7 -39.0 0.4 388 449 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.895 111.7 46.5 -70.6 -43.1 37.7 -35.8 1.3 389 450 A Q H X S+ 0 0 29 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.924 112.1 52.4 -62.5 -42.9 35.3 -37.9 3.4 390 451 A T H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.937 110.2 47.4 -55.3 -50.9 38.3 -39.6 5.0 391 452 A A H >X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 3,-0.8 0.913 107.6 54.1 -58.9 -48.8 39.9 -36.2 5.9 392 453 A L H ><>S+ 0 0 1 -4,-2.5 5,-1.8 1,-0.2 3,-0.5 0.907 106.9 55.9 -50.9 -36.3 36.7 -34.8 7.3 393 454 A G H ><5S+ 0 0 19 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.769 99.2 56.4 -70.3 -28.8 36.7 -38.0 9.5 394 455 A I H <<5S+ 0 0 9 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.773 102.8 57.7 -67.5 -25.3 40.2 -37.2 10.9 395 456 A M T <<5S- 0 0 1 -4,-1.3 -1,-0.2 -3,-0.5 14,-0.2 0.251 126.7-105.7 -86.8 10.5 38.6 -33.9 11.9 396 457 A G T < 5S+ 0 0 64 -3,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.649 81.5 115.1 77.7 19.2 36.1 -36.0 14.0 397 458 A Q < - 0 0 54 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.2 -0.830 56.6-137.5-126.5 159.8 33.1 -35.5 11.6 398 459 A T - 0 0 109 -2,-0.3 2,-0.1 -3,-0.1 -8,-0.1 -0.941 35.2-108.3-115.7 134.8 30.8 -37.6 9.3 399 460 A Y + 0 0 20 -2,-0.4 -45,-0.0 -10,-0.1 -10,-0.0 -0.397 41.9 162.2 -70.6 131.2 29.8 -36.2 5.9 400 461 A Q > - 0 0 119 -2,-0.1 3,-1.6 -47,-0.1 -48,-0.0 -0.964 47.4 -97.2-137.4 137.1 26.3 -35.0 5.3 401 462 A P T 3 S+ 0 0 61 0, 0.0 -47,-0.1 0, 0.0 555,-0.1 -0.153 104.9 11.1 -51.0 140.2 25.5 -32.7 2.3 402 463 A N T 3 S+ 0 0 26 -49,-1.9 -48,-0.2 1,-0.2 552,-0.1 0.617 88.8 160.4 69.8 14.4 25.3 -29.0 3.0 403 464 A M B < -t 354 0K 37 -3,-1.6 -48,-2.5 -50,-0.7 2,-0.5 -0.398 43.0-127.9 -65.6 144.3 26.8 -29.4 6.5 404 465 A F - 0 0 111 -50,-0.2 2,-0.5 -2,-0.1 -48,-0.1 -0.842 33.2-131.3 -85.7 124.6 28.3 -26.4 8.3 405 466 A V - 0 0 31 -2,-0.5 2,-0.4 -50,-0.3 43,-0.1 -0.730 7.4-138.8 -92.0 126.0 31.8 -27.6 9.3 406 467 A G - 0 0 31 -2,-0.5 3,-0.4 1,-0.1 -9,-0.0 -0.656 12.0-164.9 -76.9 129.3 33.1 -27.1 12.8 407 468 A T > + 0 0 81 -2,-0.4 3,-1.7 1,-0.2 4,-0.4 0.247 57.9 106.3-108.3 15.5 36.7 -26.1 12.9 408 469 A S T 3 S+ 0 0 114 1,-0.3 4,-0.2 2,-0.1 3,-0.2 0.827 89.4 43.8 -59.9 -32.4 37.7 -26.6 16.5 409 470 A N T 3> S+ 0 0 77 -3,-0.4 4,-2.4 -14,-0.2 -1,-0.3 0.159 83.5 105.5 -99.5 19.2 39.7 -29.7 15.4 410 471 A L H <> S+ 0 0 21 -3,-1.7 4,-2.9 2,-0.2 5,-0.3 0.930 81.4 42.6 -66.8 -49.3 41.3 -28.1 12.3 411 472 A E H > S+ 0 0 154 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.912 116.4 49.4 -64.6 -41.7 44.9 -27.7 13.6 412 473 A S H > S+ 0 0 58 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.931 113.9 46.7 -58.5 -48.8 44.8 -31.1 15.2 413 474 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.929 110.5 49.7 -62.5 -51.0 43.5 -32.6 11.9 414 475 A M H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.867 111.0 53.5 -57.7 -35.5 46.0 -30.9 9.6 415 476 A G H X S+ 0 0 39 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.887 108.5 47.4 -66.8 -39.4 48.7 -32.1 11.9 416 477 A K H X S+ 0 0 87 -4,-1.7 4,-1.9 -3,-0.2 -2,-0.2 0.879 113.4 47.9 -70.5 -39.7 47.6 -35.7 11.8 417 478 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.952 113.8 46.3 -61.2 -53.5 47.3 -35.7 8.0 418 479 A R H X S+ 0 0 46 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.772 108.6 57.8 -65.1 -25.8 50.8 -34.0 7.5 419 480 A S H X S+ 0 0 75 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.941 108.2 44.5 -70.2 -48.0 52.2 -36.5 10.0 420 481 A T H X S+ 0 0 0 -4,-1.9 4,-0.6 2,-0.2 3,-0.5 0.947 112.3 52.8 -55.6 -51.8 51.1 -39.5 7.9 421 482 A F H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-2.0 0.940 106.9 53.6 -47.0 -50.5 52.4 -37.7 4.8 422 483 A G H ><5S+ 0 0 16 -4,-2.7 3,-1.4 1,-0.3 -1,-0.2 0.814 96.5 66.4 -55.1 -32.8 55.8 -37.2 6.6 423 484 A E H 3<5S+ 0 0 33 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.710 106.8 41.8 -59.8 -19.7 55.9 -41.0 7.3 424 485 A Y T <<5S- 0 0 0 -3,-2.0 -1,-0.3 -4,-0.6 49,-0.2 0.347 125.9-102.1-109.2 2.1 56.2 -41.4 3.5 425 486 A G T < 5S+ 0 0 0 -3,-1.4 2,-1.1 -4,-0.3 3,-0.5 0.525 77.9 138.7 87.6 7.9 58.7 -38.5 3.1 426 487 A L S - 0 0 86 -2,-0.3 4,-1.8 -37,-0.0 3,-0.2 -0.538 42.8 -84.4-116.1-173.5 42.3 -22.7 6.6 448 509 A F H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.851 124.7 54.2 -61.4 -41.1 39.7 -25.5 6.3 449 510 A A H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 108.1 52.1 -62.0 -37.1 39.6 -25.4 2.5 450 511 A N H > S+ 0 0 40 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.891 107.0 51.2 -63.2 -45.4 43.4 -25.9 2.5 451 512 A F H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.945 111.7 48.7 -54.9 -52.1 43.2 -29.0 4.7 452 513 A I H >< S+ 0 0 6 -4,-2.1 3,-0.7 1,-0.2 4,-0.4 0.932 112.9 46.0 -55.6 -51.4 40.6 -30.5 2.4 453 514 A T H ><>S+ 0 0 39 -4,-2.5 5,-2.7 1,-0.2 3,-1.2 0.814 104.5 62.2 -64.1 -31.9 42.7 -29.8 -0.8 454 515 A N H ><5S+ 0 0 0 -4,-2.2 3,-1.7 4,-0.3 5,-0.2 0.872 93.8 66.7 -58.9 -32.6 45.8 -31.1 0.9 455 516 A A T <<5S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.693 109.2 33.8 -63.6 -24.1 44.0 -34.4 1.1 456 517 A F T < 5S- 0 0 25 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.062 125.8 -95.4-121.3 24.3 44.0 -34.8 -2.7 457 518 A G T < 5S+ 0 0 1 -3,-1.7 -133,-2.5 -130,-0.1 -3,-0.2 0.806 89.5 117.0 77.9 34.5 47.4 -33.2 -3.2 458 519 A Q S - 0 0 0 -2,-0.3 4,-1.9 -143,-0.2 5,-0.2 -0.466 31.9-112.4 -83.6 162.0 60.2 -32.3 -4.3 464 525 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -179,-0.2 0.863 118.5 56.5 -64.8 -32.0 60.6 -35.2 -6.9 465 526 A M H > S+ 0 0 0 -149,-2.4 4,-2.3 2,-0.2 5,-0.2 0.920 106.2 49.7 -63.4 -43.2 62.9 -37.0 -4.5 466 527 A Q H > S+ 0 0 0 -150,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.892 110.2 50.9 -59.2 -42.7 60.2 -36.9 -1.8 467 528 A L H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.862 110.6 49.2 -69.9 -32.8 57.7 -38.3 -4.3 468 529 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 109.9 50.2 -65.7 -42.2 60.0 -41.1 -5.2 469 530 A Q H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 12,-0.2 0.871 108.0 56.5 -65.6 -33.5 60.7 -42.1 -1.6 470 531 A Y H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.977 111.8 38.5 -63.7 -53.2 56.9 -42.1 -1.0 471 532 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.876 114.9 55.4 -67.7 -30.9 56.2 -44.7 -3.7 472 533 A A H X S+ 0 0 10 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.856 104.4 54.6 -66.1 -34.6 59.4 -46.6 -2.8 473 534 A T H <>S+ 0 0 2 -4,-2.2 5,-3.0 2,-0.2 6,-0.4 0.909 109.0 46.9 -63.8 -46.4 58.1 -46.8 0.8 474 535 A I H ><5S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 -2,-0.2 0.938 111.5 51.9 -55.9 -46.3 54.9 -48.4 -0.5 475 536 A A H 3<5S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.742 108.7 50.9 -66.5 -22.5 57.0 -50.7 -2.6 476 537 A N T ><5S- 0 0 42 -4,-1.2 3,-1.3 -3,-0.3 -1,-0.3 -0.018 122.8-103.7-105.3 25.6 59.1 -51.8 0.5 477 538 A N T < 5S- 0 0 95 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.787 78.3 -45.4 59.3 35.5 56.0 -52.5 2.5 478 539 A G T 3 - 0 0 68 4,-1.9 3,-0.8 -2,-0.3 6,-0.1 -0.243 39.8 -77.0 -89.2-175.7 94.8 -49.6 -6.4 494 555 A D T 3 S+ 0 0 180 1,-0.2 5,-0.0 2,-0.1 -2,-0.0 0.893 132.9 40.8 -43.4 -55.6 98.5 -49.7 -7.5 495 556 A K T 3 S- 0 0 179 3,-0.1 -1,-0.2 1,-0.0 3,-0.1 0.581 121.4-103.3 -77.3 -13.5 98.1 -47.1 -10.2 496 557 A G S < S+ 0 0 18 -3,-0.8 3,-0.1 1,-0.3 -2,-0.1 0.435 82.3 116.7 102.1 1.9 95.8 -44.9 -8.1 497 558 A G S S- 0 0 7 1,-0.2 -4,-1.9 -5,-0.1 -1,-0.3 -0.159 80.0 -39.7 -90.6-171.7 92.4 -45.7 -9.7 498 559 A L E S+F 492 0B 44 -479,-0.2 -1,-0.2 -6,-0.2 -6,-0.2 -0.280 72.0 172.5 -52.9 118.6 89.3 -47.4 -8.3 499 560 A G E - 0 0 24 -8,-2.5 2,-0.3 1,-0.2 -7,-0.2 0.309 34.8 -33.8-103.3-128.6 90.6 -50.2 -6.1 500 561 A E E - 0 0 157 -8,-0.2 -9,-3.0 1,-0.1 -1,-0.2 -0.687 66.7 -82.8-107.5 155.3 88.9 -52.6 -3.7 501 562 A L E +F 490 0B 87 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.206 39.3 170.9 -53.6 118.3 85.8 -52.3 -1.4 502 563 A I E S- 0 0 92 -13,-2.6 2,-0.3 1,-0.3 -12,-0.2 0.879 72.4 -15.9 -88.0 -49.2 86.5 -50.7 2.0 503 564 A Q E -F 489 0B 114 -14,-1.9 -14,-2.8 3,-0.0 -1,-0.3 -0.899 60.6-136.3-162.6 121.2 82.9 -50.4 3.2 504 565 A A E -F 488 0B 34 -2,-0.3 2,-0.8 -16,-0.3 -16,-0.3 -0.471 35.0-107.3 -75.8 151.5 79.5 -50.5 1.4 505 566 A I - 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0 0 8 -4,-0.7 -19,-0.4 -5,-0.4 2,-0.3 0.949 35.9-162.4 60.1 56.0 13.3 -19.2 -8.7 991 444 B S >< - 0 0 1 -5,-2.0 4,-0.9 -6,-0.2 -1,-0.2 -0.527 23.6-168.8 -71.0 126.5 13.7 -22.5 -6.9 992 445 B N H > S+ 0 0 23 -2,-0.3 4,-2.3 2,-0.2 5,-0.3 0.793 87.9 63.6 -78.0 -36.6 10.6 -24.0 -5.2 993 446 B A H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.847 100.1 53.2 -53.6 -39.9 12.8 -26.6 -3.4 994 447 B Y H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.957 114.0 39.2 -64.1 -50.8 14.6 -23.9 -1.5 995 448 B V H X S+ 0 0 2 -4,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.772 114.7 52.6 -73.4 -27.2 11.5 -22.2 -0.1 996 449 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.893 111.8 46.4 -72.9 -37.9 9.6 -25.4 0.6 997 450 B Q H X S+ 0 0 27 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.939 112.4 51.2 -69.3 -41.3 12.6 -26.8 2.6 998 451 B T H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.902 111.3 47.6 -53.6 -45.5 12.8 -23.4 4.4 999 452 B A H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.882 107.0 55.3 -70.7 -40.1 9.1 -23.6 5.3 1000 453 B L H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.2 0.926 108.9 50.8 -55.2 -40.0 9.4 -27.2 6.5 1001 454 B G H ><5S+ 0 0 18 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.844 102.6 56.7 -66.3 -37.7 12.2 -25.9 8.8 1002 455 B I H 3<5S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.819 103.5 57.3 -63.3 -28.2 10.0 -23.0 10.2 1003 456 B M T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -3,-0.2 14,-0.3 0.268 128.4-102.7 -85.9 11.6 7.6 -25.8 11.1 1004 457 B G T < 5S+ 0 0 62 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.649 85.7 111.3 80.0 17.1 10.4 -27.4 13.2 1005 458 B Q < - 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0 0 81 -2,-0.3 4,-1.7 1,-0.0 5,-0.1 -0.602 42.5 -85.2-120.6-169.3 -4.1 -27.2 6.0 1056 509 B F H > S+ 0 0 26 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.930 125.2 54.1 -63.7 -44.8 -0.5 -28.3 5.6 1057 510 B A H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.877 107.8 52.1 -58.1 -36.7 -0.7 -28.2 1.8 1058 511 B N H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 107.4 51.4 -64.4 -41.1 -1.8 -24.6 2.0 1059 512 B F H X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.922 111.0 49.3 -61.7 -45.3 1.1 -23.7 4.2 1060 513 B I H < S+ 0 0 3 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.904 113.0 45.1 -63.9 -44.6 3.5 -25.2 1.8 1061 514 B T H ><>S+ 0 0 37 -4,-2.3 5,-3.0 1,-0.2 3,-1.0 0.811 104.9 62.3 -70.0 -31.2 2.0 -23.4 -1.3 1062 515 B N H ><5S+ 0 0 1 -4,-2.3 3,-1.7 4,-0.3 5,-0.2 0.874 94.2 64.6 -58.8 -38.5 1.9 -20.1 0.6 1063 516 B A T 3<5S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -124,-0.2 0.764 108.9 38.2 -55.0 -28.7 5.7 -20.4 0.8 1064 517 B F T < 5S- 0 0 26 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.103 125.3 -96.4-114.9 23.9 5.9 -20.1 -3.0 1065 518 B G T < 5S+ 0 0 1 -3,-1.7 -133,-2.4 -130,-0.1 -3,-0.2 0.745 90.6 116.8 79.3 27.4 3.2 -17.5 -3.5 1066 519 B Q S - 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