==== 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 TRANSFERASE 08-JUN-09 2WK9 . COMPND 2 MOLECULE: CAI-1 AUTOINDUCER SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR N.JAHAN,J.A.POTTER,M.A.SHEIKH,C.H.BOTTING,S.L.SHIRRAN, . 763 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 2 0.3 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 . 62 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.0 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 3 3 0 0 0 2 3 5 2 2 3 2 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 0 4 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 . 4 0 2 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 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 4 A P 0 0 49 0, 0.0 2,-0.2 0, 0.0 624,-0.1 0.000 360.0 360.0 360.0 117.0 63.5 37.2 26.4 2 5 A Q - 0 0 176 1,-0.1 603,-0.1 624,-0.0 3,-0.1 -0.431 360.0-123.3 -64.0 130.5 61.5 34.6 24.5 3 6 A L - 0 0 12 -2,-0.2 -1,-0.1 1,-0.1 572,-0.1 -0.492 30.7-100.2 -72.8 144.4 59.6 36.2 21.6 4 7 A P >> - 0 0 13 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.313 35.3-108.7 -59.6 148.8 55.8 35.8 21.5 5 8 A D H 3> S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.860 116.7 59.3 -45.0 -45.0 54.6 33.1 19.1 6 9 A F H 3> S+ 0 0 47 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.854 113.7 35.0 -61.1 -36.2 53.2 35.7 16.8 7 10 A I H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.911 114.8 54.0 -81.7 -47.0 56.5 37.4 16.2 8 11 A Q H X S+ 0 0 53 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.896 109.5 49.2 -55.6 -42.9 58.9 34.4 16.3 9 12 A N H X S+ 0 0 87 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.847 108.9 52.9 -68.6 -33.6 56.9 32.7 13.7 10 13 A K H X S+ 0 0 42 -4,-0.7 4,-2.5 -5,-0.3 -2,-0.2 0.939 112.9 43.7 -64.9 -48.2 56.9 35.7 11.4 11 14 A I H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.961 114.4 49.5 -61.7 -53.5 60.7 36.0 11.6 12 15 A D H X S+ 0 0 76 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.902 113.9 46.1 -51.0 -47.5 61.3 32.3 11.2 13 16 A H H X S+ 0 0 105 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.918 112.2 49.9 -65.2 -44.7 59.0 32.2 8.1 14 17 A Y H X>S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 5,-0.6 0.938 108.7 53.0 -59.2 -47.8 60.5 35.3 6.5 15 18 A I H X>S+ 0 0 21 -4,-2.8 5,-2.7 1,-0.2 4,-1.6 0.881 113.9 41.9 -56.8 -42.3 64.0 34.0 7.0 16 19 A E H <5S+ 0 0 112 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.910 119.9 43.2 -71.5 -41.3 63.1 30.7 5.2 17 20 A N H <5S+ 0 0 83 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.672 129.0 24.5 -80.9 -18.8 61.1 32.4 2.5 18 21 A Y H <5S+ 0 0 63 -4,-2.4 8,-0.5 -5,-0.2 -3,-0.2 0.611 135.5 23.8-121.5 -21.7 63.4 35.3 1.7 19 22 A F T << 0 0 29 -4,-1.6 4,-0.4 -5,-0.6 -3,-0.2 0.788 360.0 360.0-108.1 -58.1 66.9 34.1 2.8 20 23 A D < 0 0 142 -5,-2.7 3,-0.3 2,-0.1 -3,-0.2 0.959 360.0 360.0 -60.0 360.0 66.9 30.3 2.7 21 ! 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 22 27 A N 0 0 104 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -43.9 73.3 31.6 -1.6 23 28 A G + 0 0 46 -4,-0.4 2,-0.2 -3,-0.3 3,-0.1 0.089 360.0 85.9 92.5 -23.6 71.8 32.0 1.9 24 29 A K S S- 0 0 75 4,-0.2 -1,-0.3 1,-0.2 435,-0.0 -0.480 90.3 -71.1-106.5 175.9 71.1 35.7 1.8 25 30 A H > - 0 0 13 -2,-0.2 3,-2.6 1,-0.1 -1,-0.2 -0.322 51.7-108.2 -62.3 148.9 68.4 38.0 0.5 26 31 A L T 3 S+ 0 0 22 -8,-0.5 -1,-0.1 1,-0.3 313,-0.1 0.814 117.4 63.4 -50.7 -36.7 68.1 38.2 -3.3 27 32 A V T 3 S+ 0 0 20 1,-0.1 2,-0.7 311,-0.1 312,-0.3 0.645 91.2 78.7 -67.0 -13.3 69.5 41.8 -3.3 28 33 A L < + 0 0 5 -3,-2.6 -4,-0.2 430,-0.1 -1,-0.1 -0.868 56.5 152.5-102.4 113.2 72.8 40.4 -1.8 29 34 A G - 0 0 8 -2,-0.7 2,-0.2 1,-0.3 299,-0.0 0.144 50.3 -41.1-105.6-136.1 75.2 38.8 -4.3 30 35 A K - 0 0 110 1,-0.1 2,-0.3 298,-0.0 -1,-0.3 -0.538 63.0 -96.2 -94.3 162.2 78.9 38.4 -4.3 31 36 A Q - 0 0 118 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.0 -0.613 42.3-136.2 -80.3 136.8 81.5 41.0 -3.4 32 37 A A - 0 0 38 -2,-0.3 -1,-0.1 1,-0.1 300,-0.0 -0.222 9.7-135.0 -87.9 177.6 83.0 43.0 -6.3 33 38 A S 0 0 67 1,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.820 360.0 360.0-127.7 165.9 86.5 44.0 -7.1 34 39 A P 0 0 158 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.127 360.0 360.0 -64.2 360.0 88.3 47.2 -8.3 35 ! 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 36 41 A D 0 0 64 0, 0.0 2,-0.7 0, 0.0 299,-0.2 0.000 360.0 360.0 360.0 156.6 84.5 45.4 -11.8 37 42 A I E -a 335 0A 10 297,-2.5 299,-2.7 -3,-0.1 2,-0.5 -0.848 360.0-159.5 -98.8 111.7 81.9 47.8 -13.2 38 43 A I E +a 336 0A 89 -2,-0.7 299,-0.2 297,-0.2 3,-0.1 -0.795 22.2 165.8 -97.6 130.4 79.6 49.1 -10.5 39 44 A L + 0 0 0 297,-4.5 316,-2.3 -2,-0.5 299,-0.3 -0.403 50.2 96.2-137.3 52.2 76.2 50.6 -11.6 40 45 A Q + 0 0 43 314,-0.2 2,-0.3 297,-0.1 297,-0.1 0.522 56.9 96.7-120.2 -15.5 74.4 50.8 -8.3 41 46 A S - 0 0 55 314,-0.3 190,-0.1 1,-0.1 5,-0.0 -0.589 56.4-154.8 -88.4 142.8 75.0 54.4 -7.2 42 47 A N + 0 0 10 -2,-0.3 2,-2.2 188,-0.2 192,-0.2 0.263 65.8 114.4 -92.6 6.8 72.5 57.2 -7.8 43 48 A D > + 0 0 18 1,-0.2 3,-1.8 190,-0.1 189,-0.2 -0.545 45.5 176.0 -76.5 75.2 75.4 59.6 -7.6 44 49 A Y T 3 S+ 0 0 0 -2,-2.2 314,-2.6 1,-0.3 -1,-0.2 0.792 74.2 36.8 -62.0 -37.0 74.8 60.4 -11.3 45 50 A L T 3 S- 0 0 0 312,-0.2 -1,-0.3 -3,-0.2 312,-0.1 0.164 110.5-118.5-101.4 16.6 77.4 63.2 -11.7 46 51 A A < + 0 0 24 -3,-1.8 3,-0.2 1,-0.1 -2,-0.1 0.907 64.8 143.1 50.2 56.9 79.9 61.3 -9.4 47 52 A L > + 0 0 2 1,-0.1 3,-1.7 185,-0.1 6,-0.1 0.389 32.2 105.5-104.0 0.1 80.1 64.1 -6.8 48 53 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -5,-0.1 -2,-0.0 0.784 93.8 29.3 -55.2 -31.6 80.4 61.8 -3.7 49 54 A N T 3 S+ 0 0 108 -3,-0.2 -1,-0.3 4,-0.0 -2,-0.1 0.223 80.9 147.3-114.6 13.0 84.1 62.6 -3.3 50 55 A H <> - 0 0 35 -3,-1.7 4,-2.2 1,-0.2 5,-0.2 -0.302 43.6-144.1 -55.2 123.5 84.2 66.1 -4.8 51 56 A P H > S+ 0 0 96 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.877 96.3 54.6 -59.9 -41.4 87.0 67.9 -2.9 52 57 A L H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.893 110.3 45.9 -62.8 -40.8 85.2 71.3 -2.9 53 58 A I H > S+ 0 0 15 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.936 113.9 48.0 -67.0 -45.8 82.1 69.8 -1.4 54 59 A K H X S+ 0 0 31 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.909 111.9 50.4 -62.0 -40.3 84.0 67.9 1.3 55 60 A A H X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.889 111.8 47.4 -65.8 -39.5 86.0 71.0 2.1 56 61 A R H X S+ 0 0 93 -4,-1.9 4,-2.2 -5,-0.2 5,-0.3 0.888 113.0 47.6 -70.8 -40.6 83.0 73.2 2.5 57 62 A L H X S+ 0 0 10 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.944 113.4 49.0 -61.9 -49.1 81.1 70.6 4.7 58 63 A A H < S+ 0 0 10 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.928 111.2 51.1 -55.9 -47.4 84.2 70.2 6.8 59 64 A K H >< S+ 0 0 146 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.957 113.2 40.5 -57.2 -59.2 84.6 74.0 7.2 60 65 A S H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.844 100.4 76.1 -61.0 -32.4 81.0 74.8 8.3 61 66 A L T 3< S+ 0 0 2 -4,-2.2 2,-0.6 -5,-0.3 -1,-0.3 0.524 85.4 77.0 -56.4 -6.3 81.1 71.7 10.5 62 67 A L S < S+ 0 0 83 -3,-1.9 -1,-0.1 1,-0.2 374,-0.1 -0.947 86.4 37.9-111.5 112.6 83.3 73.9 12.7 63 68 A E + 0 0 170 -2,-0.6 2,-1.7 1,-0.0 3,-0.4 0.696 59.1 175.0 123.5 53.5 81.4 76.5 14.9 64 69 A E + 0 0 21 1,-0.2 373,-0.1 -3,-0.2 -3,-0.0 -0.350 22.6 146.9 -90.2 58.5 78.1 74.9 16.1 65 70 A Q + 0 0 143 -2,-1.7 2,-1.6 1,-0.2 -1,-0.2 0.826 62.0 88.6 -53.4 -27.5 76.8 77.6 18.4 66 71 A Q + 0 0 62 -3,-0.4 2,-1.7 1,-0.1 -1,-0.2 -0.577 53.4 174.6 -77.6 85.5 73.6 76.2 16.9 67 72 A S + 0 0 36 -2,-1.6 2,-0.5 1,-0.1 363,-0.2 -0.678 20.5 160.2 -81.4 77.8 72.7 73.3 19.2 68 73 A L + 0 0 26 -2,-1.7 2,-1.4 360,-0.1 194,-0.3 -0.366 5.7 148.8-103.1 52.6 69.6 73.0 17.1 69 74 A F + 0 0 12 -2,-0.5 360,-2.0 192,-0.1 2,-0.3 -0.670 45.3 84.9 -90.0 88.9 68.6 69.4 18.0 70 75 A M S S- 0 0 3 -2,-1.4 192,-1.9 358,-0.2 358,-0.1 -0.936 86.4 -54.8-169.1 174.5 64.9 69.9 17.7 71 76 A S B > -B 261 0B 3 -2,-0.3 3,-1.0 190,-0.2 4,-0.2 -0.349 40.7-127.2 -67.5 148.8 62.1 69.8 15.2 72 77 A A G > S+ 0 0 18 185,-0.7 3,-1.4 188,-0.6 186,-0.1 0.689 104.3 76.2 -67.8 -17.7 62.3 72.0 12.1 73 78 A S G > S+ 0 0 8 184,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.869 91.8 53.2 -62.3 -33.5 58.8 73.3 13.0 74 79 A F G < S+ 0 0 24 -3,-1.0 -1,-0.3 1,-0.2 3,-0.2 0.568 105.0 57.3 -76.8 -10.2 60.5 75.4 15.7 75 80 A L G < + 0 0 17 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.152 69.9 109.5-113.4 37.7 62.9 76.9 13.1 76 81 A Q < + 0 0 28 -3,-0.8 -1,-0.2 5,-0.1 2,-0.1 0.356 43.7 112.0-100.1 5.6 60.4 78.4 10.7 77 82 A N S >> S- 0 0 14 -3,-0.2 3,-1.9 1,-0.1 4,-1.1 -0.494 83.0-108.9 -68.1 149.7 61.1 82.0 11.5 78 83 A D G >4 S+ 0 0 147 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.893 117.4 51.3 -44.5 -53.7 62.7 83.9 8.6 79 84 A Y G 34 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 -3,-0.1 0.580 109.8 50.8 -68.3 -11.3 66.1 84.2 10.3 80 85 A D G <4 S+ 0 0 50 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.608 86.2 98.4 -99.8 -16.3 66.2 80.4 11.1 81 86 A K S << S- 0 0 64 -4,-1.1 -5,-0.1 -3,-1.1 2,-0.0 -0.612 81.1-112.3 -79.9 131.4 65.4 79.2 7.6 82 87 A P >> - 0 0 46 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.300 10.7-130.3 -67.7 139.3 68.6 78.2 5.6 83 88 A M H 3> S+ 0 0 110 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.695 102.3 77.3 -61.5 -18.4 69.7 80.2 2.5 84 89 A I H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.785 87.4 59.2 -62.6 -25.6 69.9 76.9 0.6 85 90 A E H <> S+ 0 0 14 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.944 106.8 44.2 -68.4 -47.0 66.1 77.0 0.3 86 91 A K H X S+ 0 0 167 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.885 115.0 50.4 -63.3 -39.2 66.0 80.4 -1.5 87 92 A R H X S+ 0 0 53 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.904 110.9 47.4 -66.4 -43.2 68.9 79.2 -3.7 88 93 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 6,-0.3 0.866 111.4 51.8 -66.9 -37.2 67.2 75.9 -4.6 89 94 A A H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 5,-0.5 0.931 112.3 45.3 -62.5 -45.8 63.9 77.7 -5.4 90 95 A K H < S+ 0 0 176 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.902 110.7 55.7 -64.5 -40.7 65.8 80.1 -7.7 91 96 A F H < S+ 0 0 17 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 116.6 33.3 -55.3 -46.8 67.7 77.3 -9.3 92 97 A T H < S- 0 0 6 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.721 107.2-118.1 -90.5 -23.6 64.5 75.3 -10.3 93 98 A G < + 0 0 39 -4,-2.1 -3,-0.2 1,-0.4 -4,-0.1 0.323 68.7 131.7 100.3 -7.1 62.2 78.3 -11.0 94 99 A F - 0 0 7 -5,-0.5 -1,-0.4 -6,-0.3 149,-0.2 -0.413 63.6-122.2 -75.5 156.8 59.7 77.4 -8.3 95 100 A D S S+ 0 0 95 147,-0.3 2,-0.3 1,-0.2 148,-0.2 0.904 86.8 12.7 -64.5 -45.9 58.4 80.0 -5.8 96 101 A E E -C 242 0C 61 146,-2.0 146,-2.2 -7,-0.1 2,-0.4 -0.975 58.1-161.9-140.2 148.1 59.4 78.3 -2.6 97 102 A C E -C 241 0C 6 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.977 3.6-166.8-131.3 145.3 61.5 75.4 -1.4 98 103 A L E -C 240 0C 12 142,-2.2 142,-2.1 -2,-0.4 2,-0.1 -0.989 20.0-129.8-134.8 123.4 61.5 73.6 1.9 99 104 A L E -C 239 0C 27 -2,-0.4 2,-0.3 140,-0.2 140,-0.3 -0.435 25.6-174.0 -72.7 145.5 64.2 71.2 3.1 100 105 A S E -C 238 0C 12 138,-2.8 138,-2.3 -2,-0.1 3,-0.1 -0.863 37.0-112.1-133.0 165.8 63.3 67.7 4.4 101 106 A Q S S- 0 0 16 -2,-0.3 2,-0.3 136,-0.3 3,-0.1 0.648 95.8 -6.8 -76.1 -14.4 65.3 64.9 6.0 102 107 A S S > S- 0 0 9 135,-0.1 4,-1.8 1,-0.1 136,-0.4 -0.969 70.6-103.6-168.2 162.2 64.9 62.7 2.9 103 108 A G H > S+ 0 0 7 134,-0.6 4,-2.1 -2,-0.3 5,-0.2 0.861 122.0 57.5 -61.4 -36.7 63.1 62.4 -0.4 104 109 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.951 108.2 44.8 -57.5 -51.6 60.8 59.9 1.3 105 110 A N H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.825 108.2 58.0 -63.5 -34.3 59.8 62.5 4.0 106 111 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.939 112.0 41.0 -61.6 -46.6 59.4 65.2 1.4 107 112 A N H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.928 117.1 46.4 -67.7 -47.8 56.8 63.2 -0.4 108 113 A V H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.928 116.0 47.4 -59.7 -44.9 55.0 61.9 2.7 109 114 A G H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 -2,-0.2 0.903 111.4 47.9 -64.2 -46.7 55.0 65.4 4.2 110 115 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 3,-0.2 0.955 113.9 47.8 -59.7 -49.2 53.7 67.2 1.1 111 116 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.868 108.4 53.4 -63.7 -38.9 50.9 64.7 0.6 112 117 A Q H < S+ 0 0 40 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.877 112.2 47.9 -60.8 -36.3 49.8 64.8 4.2 113 118 A T H < S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.868 118.8 35.6 -75.2 -37.8 49.6 68.6 3.9 114 119 A I H < S+ 0 0 0 -4,-2.1 2,-0.4 -5,-0.1 -2,-0.2 0.556 104.8 82.6 -97.4 -6.0 47.6 68.7 0.6 115 120 A C < - 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0 0 5 -4,-1.6 3,-0.0 -5,-0.2 25,-0.0 -0.700 53.3-167.0 -96.6 146.8 53.7 43.7 13.5 498 121 B Q > - 0 0 88 -2,-0.3 3,-2.1 1,-0.1 22,-0.1 -0.772 49.6 -71.4-112.4 167.5 51.1 41.9 11.3 499 122 B P T 3 S+ 0 0 95 0, 0.0 23,-0.3 0, 0.0 22,-0.2 -0.408 124.6 13.5 -55.9 136.7 47.7 43.4 10.4 500 123 B N T 3 S+ 0 0 118 21,-2.7 22,-0.2 1,-0.2 21,-0.1 0.451 87.1 156.9 72.1 2.5 45.6 43.5 13.5 501 124 B T < - 0 0 13 -3,-2.1 22,-3.0 19,-0.2 2,-0.6 -0.353 50.3-110.1 -55.7 137.5 48.5 42.9 15.9 502 125 B N E -p 523 0I 27 42,-0.4 44,-2.9 20,-0.2 2,-0.6 -0.629 36.7-174.3 -72.8 117.1 47.7 44.1 19.4 503 126 B V E -pq 524 546I 0 20,-2.9 22,-3.3 -2,-0.6 2,-0.9 -0.928 9.6-161.4-116.5 109.7 49.8 47.1 20.2 504 127 B Y E +pq 525 547I 0 42,-2.7 44,-3.3 -2,-0.6 2,-0.4 -0.788 22.0 179.8 -90.5 108.5 49.4 48.4 23.7 505 128 B I E -pq 526 548I 1 20,-1.3 22,-2.1 -2,-0.9 44,-0.2 -0.930 31.3-115.5-123.4 130.5 50.7 51.9 23.6 506 129 B D E > -p 527 0I 0 42,-2.0 3,-2.2 -2,-0.4 22,-0.2 -0.357 30.4-121.0 -60.6 139.3 51.0 54.5 26.4 507 130 B F T 3 S+ 0 0 112 20,-2.5 -1,-0.1 1,-0.3 21,-0.1 0.806 112.7 42.0 -53.3 -32.3 48.8 57.5 25.6 508 131 B F T 3 S+ 0 0 60 19,-0.2 46,-0.3 42,-0.1 -1,-0.3 0.275 83.4 128.5-101.2 8.4 51.8 59.8 25.7 509 132 B A S < S- 0 0 6 -3,-2.2 5,-0.2 39,-0.1 40,-0.0 -0.309 74.6 -74.5 -64.8 154.3 54.3 57.5 23.8 510 133 B H >> - 0 0 8 1,-0.1 3,-2.2 3,-0.1 4,-1.4 -0.110 36.5-120.9 -57.9 142.2 56.0 59.2 20.8 511 134 B M H 3> S+ 0 0 35 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.781 110.9 66.5 -51.4 -31.1 54.0 59.9 17.6 512 135 B S H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.800 101.9 47.5 -64.1 -28.9 56.5 57.8 15.7 513 136 B L H <> S+ 0 0 0 -3,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 112.2 48.8 -78.0 -41.5 55.3 54.7 17.6 514 137 B W H X S+ 0 0 62 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.953 116.6 42.6 -59.3 -50.4 51.6 55.6 17.1 515 138 B E H X S+ 0 0 17 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.891 109.4 57.7 -65.5 -40.0 52.3 56.1 13.3 516 139 B G H X S+ 0 0 1 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.921 110.5 43.9 -55.1 -44.6 54.5 53.0 13.1 517 140 B A H <>S+ 0 0 2 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.906 113.7 50.9 -66.4 -42.5 51.6 50.9 14.4 518 141 B R H ><5S+ 0 0 86 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.878 106.7 52.7 -65.2 -39.7 49.1 52.6 12.2 519 142 B Y H 3<5S+ 0 0 22 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.834 109.0 51.2 -64.2 -31.6 51.2 52.1 9.0 520 143 B A T 3<5S- 0 0 16 -4,-1.2 -1,-0.3 -5,-0.3 -19,-0.2 0.411 113.2-123.2 -84.2 1.9 51.4 48.4 9.8 521 144 B N T < 5 + 0 0 96 -3,-1.5 -21,-2.7 -22,-0.2 -3,-0.2 0.813 55.8 161.1 56.4 33.1 47.6 48.4 10.2 522 145 B A < - 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0 0 0 33,-2.0 65,-0.2 -2,-0.7 34,-0.2 0.244 25.0-149.7-117.4 11.3 49.5 75.6 30.1 700 323 B G E +W 732 0L 0 32,-0.7 32,-2.6 4,-0.1 -1,-0.3 -0.297 59.3 25.0 64.1-129.9 46.1 74.4 29.1 701 324 B D S > S- 0 0 54 30,-0.2 4,-2.8 29,-0.1 5,-0.2 -0.217 80.5-107.4 -78.0 162.9 44.5 76.0 26.0 702 325 B E H > S+ 0 0 26 27,-0.7 4,-2.3 1,-0.2 5,-0.2 0.854 116.8 52.2 -57.8 -40.8 46.2 77.7 23.1 703 326 B R H > S+ 0 0 201 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.937 113.4 44.1 -62.2 -45.9 45.2 81.2 24.0 704 327 B N H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.919 111.8 54.9 -62.9 -41.6 46.6 80.8 27.6 705 328 B T H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.883 103.7 53.8 -60.7 -41.0 49.7 79.1 26.2 706 329 B E H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.940 110.2 48.1 -59.9 -45.0 50.5 82.0 23.9 707 330 B K H X S+ 0 0 60 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.912 111.4 49.9 -62.7 -44.1 50.3 84.4 26.9 708 331 B V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.942 114.0 42.9 -61.1 -49.9 52.5 82.1 29.1 709 332 B R H X S+ 0 0 5 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.885 112.0 54.4 -72.2 -30.7 55.3 81.7 26.6 710 333 B D H X S+ 0 0 58 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.889 111.0 47.2 -62.3 -38.6 55.2 85.4 25.6 711 334 B Y H X S+ 0 0 32 -4,-2.1 4,-1.2 -5,-0.2 -2,-0.2 0.939 113.6 46.9 -66.7 -47.7 55.7 86.2 29.3 712 335 B L H ><>S+ 0 0 2 -4,-2.7 5,-2.5 2,-0.2 3,-0.6 0.939 114.6 45.8 -59.9 -49.5 58.5 83.7 29.7 713 336 B E H ><5S+ 0 0 18 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.913 108.2 56.3 -62.7 -42.9 60.3 84.9 26.5 714 337 B S H 3<5S+ 0 0 71 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.785 111.3 46.5 -57.8 -26.7 59.8 88.5 27.5 715 338 B N T <<5S- 0 0 62 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.146 126.8 -97.9-105.7 17.1 61.6 87.6 30.7 716 339 B G T < 5S+ 0 0 11 -3,-2.1 -292,-3.2 1,-0.2 2,-0.5 0.698 83.1 121.8 83.3 22.5 64.5 85.6 29.0 717 340 B V E < -m 424 0G 2 -5,-2.5 2,-0.6 -294,-0.2 -1,-0.2 -0.973 38.3-169.9-120.7 121.6 63.3 82.0 29.3 718 341 B F E +m 425 0G 5 -294,-3.0 -292,-3.4 -2,-0.5 2,-0.1 -0.865 16.9 154.3-120.9 98.9 62.9 80.0 26.1 719 342 B G - 0 0 9 -2,-0.6 2,-0.5 -294,-0.2 17,-0.2 -0.311 45.7 -93.4-100.8-169.3 61.2 76.6 26.2 720 343 B S E -X 735 0L 2 15,-2.5 15,-3.1 -294,-0.3 2,-0.5 -0.952 27.8-130.9-115.9 128.3 59.4 74.8 23.4 721 344 B V E -X 734 0L 8 -2,-0.5 2,-0.6 -307,-0.3 13,-0.2 -0.622 19.1-164.8 -74.3 122.0 55.7 75.0 22.8 722 345 B F E +X 733 0L 19 11,-3.5 11,-2.4 -2,-0.5 2,-0.2 -0.952 26.9 145.3-108.1 113.9 54.1 71.6 22.4 723 346 B C > - 0 0 8 -2,-0.6 3,-2.4 9,-0.2 4,-0.4 -0.691 39.4 -3.9-130.2-175.8 50.6 71.9 20.9 724 347 B R T 3 S+ 0 0 68 1,-0.4 -1,-0.2 2,-0.3 4,-0.1 -0.242 120.6 25.8 -49.4 141.1 48.3 69.9 18.5 725 348 B P T 3 S+ 0 0 48 0, 0.0 -1,-0.4 0, 0.0 4,-0.1 -0.966 128.4 48.3 -90.7 12.3 48.9 67.5 17.0 726 349 B A S < S+ 0 0 35 -3,-2.4 -2,-0.3 2,-0.1 2,-0.2 0.847 127.6 14.1 -72.7 -34.8 51.6 66.6 19.6 727 350 B T S S- 0 0 23 -4,-0.4 5,-0.1 1,-0.1 -4,-0.1 -0.730 98.9 -76.8-126.5 176.0 49.1 67.3 22.4 728 351 B S > - 0 0 62 3,-0.3 3,-1.2 -2,-0.2 -4,-0.2 -0.393 48.7-111.1 -65.9 157.5 45.3 67.7 22.8 729 352 B K T 3 S+ 0 0 89 1,-0.3 -27,-0.7 -6,-0.1 3,-0.2 0.743 119.0 40.0 -66.7 -19.9 44.1 71.2 21.7 730 353 B N T 3 S+ 0 0 89 -29,-0.2 -1,-0.3 1,-0.2 -29,-0.1 0.289 107.4 63.1-110.7 9.5 43.4 72.0 25.4 731 354 B K < + 0 0 100 -3,-1.2 -3,-0.3 -32,-0.1 -1,-0.2 -0.385 68.7 166.5-130.5 55.0 46.4 70.4 27.0 732 355 B N E -W 700 0L 0 -32,-2.6 -33,-2.0 -3,-0.2 -32,-0.7 -0.326 19.0-153.0 -71.9 154.0 49.4 72.3 25.7 733 356 B I E -WX 698 722L 8 -11,-2.4 -11,-3.5 -35,-0.2 2,-0.7 -0.980 13.7-151.8-128.0 137.3 52.8 72.0 27.2 734 357 B I E -WX 697 721L 2 -37,-2.8 -37,-2.8 -2,-0.4 2,-0.4 -0.941 30.3-149.9-104.1 109.9 55.7 74.4 27.3 735 358 B R E -WX 696 720L 0 -15,-3.1 -15,-2.5 -2,-0.7 2,-0.7 -0.679 12.3-159.3 -90.5 128.3 58.7 72.1 27.6 736 359 B L E -W 695 0L 0 -41,-3.7 -41,-2.8 -2,-0.4 2,-0.8 -0.917 8.9-163.6-101.7 113.1 61.9 73.1 29.3 737 360 B S E -W 694 0L 0 -311,-2.7 -309,-0.2 -2,-0.7 -43,-0.2 -0.857 9.4-155.2-100.2 107.6 64.7 70.9 28.1 738 361 B L - 0 0 0 -45,-2.5 2,-0.3 -2,-0.8 -45,-0.1 -0.506 9.7-169.3 -80.2 148.5 67.7 71.1 30.5 739 362 B N > - 0 0 26 -2,-0.2 3,-2.1 -307,-0.1 -307,-0.2 -0.902 38.4-102.9-133.1 164.9 71.3 70.4 29.5 740 363 B S T 3 S+ 0 0 10 -309,-2.5 -308,-0.1 -2,-0.3 -309,-0.1 0.560 115.3 65.8 -68.6 -6.3 74.5 69.9 31.4 741 364 B D T 3 S+ 0 0 110 -310,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.567 76.1 111.8 -87.0 -9.8 75.6 73.5 30.5 742 365 B V < - 0 0 5 -3,-2.1 2,-0.2 1,-0.1 -69,-0.1 -0.443 61.0-136.1 -71.0 137.8 72.8 75.1 32.5 743 366 B N > - 0 0 88 -2,-0.2 4,-2.6 1,-0.1 5,-0.1 -0.478 18.6-120.3 -94.0 158.9 73.9 77.0 35.7 744 367 B D H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.914 119.5 51.8 -57.4 -43.4 72.7 77.2 39.3 745 368 B E H > S+ 0 0 159 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 109.4 48.7 -61.1 -42.9 72.2 80.9 38.7 746 369 B Q H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.905 110.6 51.2 -62.6 -42.5 70.2 80.1 35.5 747 370 B I H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.947 110.3 48.1 -61.5 -47.6 68.1 77.6 37.4 748 371 B A H X S+ 0 0 49 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.897 110.3 54.1 -58.7 -39.6 67.3 80.1 40.2 749 372 B K H X S+ 0 0 84 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.879 105.8 51.0 -62.3 -41.9 66.4 82.6 37.5 750 373 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 111.5 48.4 -60.5 -46.1 63.9 80.3 35.8 751 374 B I H X S+ 0 0 18 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.927 111.1 50.9 -60.2 -44.7 62.3 79.7 39.2 752 375 B E H X S+ 0 0 102 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.933 111.3 47.2 -58.2 -48.6 62.2 83.5 39.8 753 376 B V H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 114.2 46.4 -61.6 -43.5 60.6 84.2 36.5 754 377 B C H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.874 109.2 56.0 -69.2 -35.5 58.0 81.4 36.9 755 378 B S H X S+ 0 0 41 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.933 110.9 43.7 -57.1 -49.0 57.3 82.7 40.5 756 379 B D H X S+ 0 0 77 -4,-2.4 4,-1.2 1,-0.2 3,-0.3 0.876 110.2 57.4 -62.4 -39.0 56.6 86.1 39.0 757 380 B A H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.903 103.0 52.6 -58.9 -44.9 54.5 84.5 36.3 758 381 B V H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 114.6 43.0 -61.2 -31.4 52.3 82.8 38.8 759 382 B N H 3< S+ 0 0 122 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.626 94.5 82.3 -89.3 -14.9 51.6 86.2 40.5 760 383 B Y H << S- 0 0 144 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.1 0.855 79.4-145.0 -65.2 -43.1 51.1 88.2 37.3 761 384 B G < + 0 0 70 -4,-0.7 -1,-0.1 2,-0.3 3,-0.1 0.602 68.8 107.1 88.5 12.8 47.5 87.4 36.6 762 385 B D S S- 0 0 75 -5,-0.3 2,-0.3 1,-0.2 -55,-0.1 0.639 90.7 -7.9 -92.2 -15.4 47.6 87.4 32.8 763 386 B F - 0 0 23 -6,-0.3 -2,-0.3 -56,-0.1 2,-0.3 -0.930 67.0-119.5-166.1 176.1 47.3 83.6 32.6 764 387 B Y - 0 0 104 -2,-0.3 2,-0.3 -65,-0.2 -56,-0.1 -0.803 10.1-139.2-126.5 168.1 47.3 80.3 34.6 765 388 B F 0 0 36 -2,-0.3 -66,-0.2 -7,-0.1 -68,-0.0 -0.932 360.0 360.0-120.1 154.3 49.2 77.1 34.8 766 389 B R 0 0 125 -68,-3.5 -79,-2.2 -2,-0.3 -68,-0.4 -0.381 360.0 360.0 -97.7 360.0 47.7 73.6 35.3 767 ! 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 0.0 768 600 B X 0 0 10 0, 0.0 -509,-0.1 0, 0.0 -698,-0.1 0.000 360.0 360.0 360.0 360.0 61.8 65.2 19.3