==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-FEB-12 4DXV . COMPND 2 MOLECULE: DIHYDRODIPICOLINATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR M.KUMAR,S.KAUSHIK,M.SINHA,P.KAUR,S.SHARMA,T.P.SINGH . 582 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 74 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 31 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.1 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 2 0 0 2 0 4 2 2 2 0 6 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 6 6 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 1 A T 0 0 160 0, 0.0 2,-0.3 0, 0.0 180,-0.0 0.000 360.0 360.0 360.0 -58.5 10.4 -22.9 28.2 2 2 A I + 0 0 21 2,-0.0 2,-0.3 199,-0.0 36,-0.1 -0.599 360.0 175.0 -65.9 125.8 11.4 -22.7 24.4 3 3 A Q + 0 0 98 -2,-0.3 2,-0.3 34,-0.1 198,-0.3 -0.955 23.6 26.5-131.3 160.6 15.2 -22.3 24.6 4 4 A G E S+a 201 0A 4 196,-2.0 198,-2.1 -2,-0.3 2,-0.6 -0.724 101.5 0.0 108.3-146.5 18.2 -22.1 22.3 5 5 A S E -a 202 0A 0 -2,-0.3 32,-1.6 30,-0.3 33,-1.3 -0.742 59.5-176.3 -88.8 111.9 18.6 -21.0 18.7 6 6 A I E -ab 203 38A 0 196,-2.7 198,-1.9 -2,-0.6 2,-0.3 -0.917 18.6-142.3-114.8 104.8 15.2 -20.1 17.3 7 7 A V E -ab 204 39A 0 31,-1.9 33,-2.8 -2,-0.7 2,-1.3 -0.492 6.7-145.3 -75.9 131.8 15.5 -19.2 13.6 8 8 A A E - b 0 40A 5 196,-2.8 2,-0.1 -2,-0.3 33,-0.1 -0.778 38.6-146.5 -85.2 92.6 13.3 -16.4 12.3 9 9 A I - 0 0 1 31,-1.6 34,-0.4 -2,-1.3 33,-0.3 -0.400 3.4-126.7 -82.9 145.3 13.0 -18.3 9.0 10 10 A V - 0 0 0 -2,-0.1 36,-0.3 195,-0.1 32,-0.1 -0.194 20.2-123.1 -70.9 163.1 12.7 -16.6 5.6 11 11 A T - 0 0 0 34,-0.5 -1,-0.1 30,-0.1 10,-0.1 -0.905 31.1-137.3-106.9 104.0 9.7 -17.5 3.4 12 12 A P - 0 0 0 0, 0.0 8,-2.8 0, 0.0 2,-0.3 -0.334 26.1-167.9 -62.4 145.4 11.5 -18.7 0.2 13 13 A M B -I 19 0B 0 252,-0.4 252,-1.3 250,-0.3 250,-0.4 -0.952 21.3-114.9-138.0 152.7 9.8 -17.4 -3.0 14 14 A L > - 0 0 72 4,-2.8 3,-2.8 -2,-0.3 252,-0.1 -0.264 49.2 -91.0 -73.4 167.9 9.9 -18.0 -6.7 15 15 A K T 3 S+ 0 0 153 1,-0.3 251,-0.3 250,-0.1 -1,-0.1 0.845 129.6 52.1 -51.1 -36.0 11.2 -15.3 -9.0 16 16 A D T 3 S- 0 0 138 249,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.334 123.6-103.3 -88.5 9.9 7.7 -14.0 -9.4 17 17 A G S < S+ 0 0 9 -3,-2.8 -2,-0.1 1,-0.3 250,-0.1 0.244 74.9 139.8 92.1 -16.3 7.2 -13.8 -5.6 18 18 A G - 0 0 23 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.312 67.4 -93.0 -55.5 146.7 4.9 -16.9 -5.3 19 19 A V B -I 13 0B 9 -6,-0.2 2,-1.1 1,-0.1 -6,-0.3 -0.450 31.6-135.5 -67.1 134.9 5.8 -18.9 -2.2 20 20 A D > - 0 0 23 -8,-2.8 4,-1.9 1,-0.2 5,-0.1 -0.780 26.7-179.9 -91.9 89.9 8.4 -21.7 -3.0 21 21 A W H > S+ 0 0 78 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.834 75.9 50.2 -64.3 -44.1 6.9 -24.6 -1.0 22 22 A K H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 111.0 48.6 -63.8 -44.4 9.5 -27.2 -1.9 23 23 A S H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.872 110.0 52.7 -66.1 -33.3 12.4 -24.9 -0.9 24 24 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.961 107.9 51.5 -62.5 -49.9 10.6 -24.1 2.5 25 25 A E H X S+ 0 0 58 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.924 110.1 49.7 -50.9 -52.1 10.2 -27.8 3.2 26 26 A K H X S+ 0 0 109 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.901 110.6 49.2 -56.7 -41.9 13.9 -28.3 2.6 27 27 A L H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.8 50.6 -60.5 -44.0 14.9 -25.5 4.8 28 28 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.941 113.1 47.9 -63.5 -47.2 12.7 -26.7 7.7 29 29 A E H X S+ 0 0 56 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.896 110.9 49.8 -55.9 -45.3 14.2 -30.2 7.3 30 30 A W H X S+ 0 0 54 -4,-2.3 4,-2.9 1,-0.2 6,-0.2 0.898 108.3 53.4 -67.0 -41.0 17.8 -28.8 7.3 31 31 A H H X>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 4,-1.0 0.951 110.0 47.4 -54.5 -48.7 17.2 -26.7 10.4 32 32 A I H ><5S+ 0 0 31 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.946 115.3 45.8 -62.7 -46.4 16.0 -29.8 12.3 33 33 A E H 3<5S+ 0 0 130 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 111.3 54.1 -60.2 -37.9 19.0 -31.8 11.0 34 34 A Q H 3<5S- 0 0 56 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.615 121.5 -98.3 -80.0 -9.4 21.4 -28.9 11.8 35 35 A G T <<5 + 0 0 26 -4,-1.0 -30,-0.3 -3,-0.8 -3,-0.2 0.459 63.2 157.7 106.6 5.9 20.5 -28.4 15.5 36 36 A T < - 0 0 3 -5,-2.2 -1,-0.3 -6,-0.2 -30,-0.1 -0.403 30.3-153.2 -62.8 137.9 18.0 -25.5 15.3 37 37 A N - 0 0 60 -32,-1.6 2,-0.3 1,-0.2 -31,-0.2 0.764 64.5 -7.0 -91.5 -24.1 15.9 -25.6 18.4 38 38 A S E -b 6 0A 0 -33,-1.3 -31,-1.9 33,-0.2 2,-0.4 -0.964 60.8-133.4-160.3 162.5 12.7 -23.9 17.2 39 39 A I E -bc 7 73A 0 33,-1.4 35,-3.0 -2,-0.3 2,-0.6 -0.994 5.7-148.3-126.3 133.7 11.3 -21.9 14.1 40 40 A V E -bc 8 74A 1 -33,-2.8 -31,-1.6 -2,-0.4 3,-0.4 -0.941 23.2-152.1 -91.9 118.9 9.4 -18.7 14.0 41 41 A A E - c 0 75A 0 33,-2.7 35,-3.1 -2,-0.6 19,-0.1 -0.751 69.1 -0.9 -90.9 137.5 7.1 -18.9 11.0 42 42 A V S S+ 0 0 1 -2,-0.4 -1,-0.2 -33,-0.3 2,-0.1 0.870 90.3 141.8 48.6 47.8 6.0 -15.7 9.2 43 43 A G S >S- 0 0 10 -3,-0.4 5,-1.8 -34,-0.4 3,-0.4 -0.168 74.8 -69.8 -91.4-164.9 7.8 -13.2 11.4 44 44 A T T > 5S+ 0 0 13 1,-0.3 3,-1.7 2,-0.2 5,-0.2 0.894 138.4 49.0 -61.2 -42.1 9.6 -10.1 10.2 45 45 A T T 3 5S+ 0 0 2 1,-0.3 -34,-0.5 2,-0.1 -1,-0.3 0.775 106.7 58.6 -73.1 -23.2 12.3 -12.1 8.4 46 46 A G T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 -36,-0.3 -2,-0.2 0.186 116.5-113.5 -83.4 8.0 9.5 -14.3 6.9 47 47 A E T X>5 + 0 0 5 -3,-1.7 3,-1.3 1,-0.1 4,-0.8 0.861 51.0 168.0 55.3 42.8 7.9 -11.2 5.2 48 48 A A G >4 - 0 0 36 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.164 29.6-101.2 -70.9 170.3 -1.7 -12.6 2.4 53 53 A M H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.929 125.3 48.2 -58.8 -43.2 -3.9 -14.1 5.2 54 54 A E H > S+ 0 0 136 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.914 112.0 49.8 -63.0 -42.3 -4.2 -17.4 3.4 55 55 A E H > S+ 0 0 25 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.896 105.7 55.8 -66.7 -35.3 -0.5 -17.5 2.8 56 56 A H H X S+ 0 0 16 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.972 113.5 43.0 -58.8 -45.4 0.2 -16.7 6.5 57 57 A T H X S+ 0 0 38 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.921 114.0 49.3 -65.5 -47.2 -1.9 -19.8 7.3 58 58 A Q H X S+ 0 0 65 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.886 111.6 48.7 -62.2 -42.0 -0.4 -22.0 4.6 59 59 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.941 113.5 47.3 -65.8 -40.3 3.2 -21.2 5.6 60 60 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.941 113.3 48.1 -63.7 -47.7 2.4 -21.9 9.2 61 61 A K H X S+ 0 0 108 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.894 111.4 50.0 -62.7 -40.9 0.7 -25.1 8.3 62 62 A E H X S+ 0 0 43 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.884 110.5 48.3 -63.5 -40.9 3.5 -26.3 6.1 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.933 114.9 46.5 -67.5 -42.6 6.3 -25.6 8.7 64 64 A I H X>S+ 0 0 38 -4,-2.4 4,-1.9 -5,-0.2 5,-0.5 0.930 113.1 49.7 -60.5 -47.2 4.2 -27.5 11.3 65 65 A R H <5S+ 0 0 144 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.4 41.1 -58.9 -52.2 3.5 -30.4 8.8 66 66 A V H <5S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.3 54.3 -66.8 -37.2 7.2 -30.7 7.9 67 67 A A H ><5S- 0 0 1 -4,-2.8 3,-1.9 -5,-0.2 -1,-0.2 0.850 85.9-161.6 -69.0 -29.4 8.6 -30.3 11.5 68 68 A N T 3<5 - 0 0 119 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.916 65.0 -60.1 48.4 52.3 6.3 -33.1 12.6 69 69 A K T 3 S- 0 0 1 1,-0.1 4,-2.5 480,-0.1 5,-0.2 -0.971 75.2-146.4-120.0 132.3 -4.9 -3.7 15.2 82 82 A T H > S+ 0 0 5 478,-1.5 4,-2.3 -2,-0.4 5,-0.2 0.899 101.5 52.6 -67.8 -36.8 -5.8 -5.6 18.4 83 83 A R H > S+ 0 0 98 477,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.925 110.8 45.7 -59.5 -45.9 -8.8 -7.2 16.6 84 84 A E H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 110.9 53.5 -70.6 -37.2 -6.6 -8.4 13.8 85 85 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.910 107.9 50.5 -61.9 -40.4 -3.9 -9.7 16.2 86 86 A I H X S+ 0 0 30 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.958 111.4 49.1 -62.9 -45.0 -6.6 -11.8 18.1 87 87 A E H X S+ 0 0 82 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 113.6 44.7 -59.1 -50.1 -7.8 -13.3 14.8 88 88 A L H X S+ 0 0 9 -4,-2.5 4,-2.1 -11,-0.2 -1,-0.2 0.863 114.1 50.2 -62.8 -37.6 -4.2 -14.2 13.6 89 89 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -12,-0.3 -2,-0.2 0.915 109.6 50.0 -71.1 -43.7 -3.4 -15.6 17.1 90 90 A K H X S+ 0 0 103 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.938 110.5 51.2 -53.8 -48.4 -6.5 -17.7 17.2 91 91 A A H X S+ 0 0 31 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.936 109.1 49.8 -58.1 -42.5 -5.7 -19.1 13.7 92 92 A A H X>S+ 0 0 1 -4,-2.1 5,-2.5 2,-0.2 4,-0.7 0.933 111.0 49.6 -63.8 -41.4 -2.2 -20.0 14.8 93 93 A K H ><5S+ 0 0 87 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.939 111.1 50.3 -59.4 -45.5 -3.6 -21.8 17.9 94 94 A D H 3<5S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 105.5 55.0 -65.0 -32.9 -6.0 -23.7 15.7 95 95 A L H 3<5S- 0 0 43 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.568 123.7-102.5 -77.3 -8.3 -3.3 -24.7 13.3 96 96 A G T <<5 + 0 0 43 -3,-1.2 -23,-0.2 -4,-0.7 -3,-0.2 0.637 60.0 166.1 101.9 12.4 -1.3 -26.3 16.2 97 97 A A < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -23,-0.2 -0.343 35.0-141.2 -62.2 146.3 1.3 -23.7 16.7 98 98 A D S S- 0 0 71 -25,-2.3 2,-0.3 1,-0.2 -24,-0.2 0.761 77.4 -12.0 -78.7 -25.7 3.2 -24.1 20.0 99 99 A A E -d 74 0A 2 -26,-1.0 -24,-2.7 29,-0.1 2,-0.4 -0.941 65.6-123.4-160.8 169.7 3.4 -20.3 20.7 100 100 A A E -de 75 130A 0 29,-2.2 31,-2.8 -2,-0.3 2,-0.5 -0.965 9.9-148.9-127.6 147.9 2.8 -17.0 19.0 101 101 A L E -de 76 131A 5 -26,-2.6 -24,-2.5 -2,-0.4 -23,-0.7 -0.956 17.7-172.0-116.7 122.6 5.2 -14.1 18.5 102 102 A L E - e 0 132A 0 29,-2.9 31,-1.1 -2,-0.5 -26,-0.1 -0.893 11.9-149.0-128.3 103.9 3.5 -10.7 18.5 103 103 A V E - e 0 133A 9 -2,-0.5 -24,-0.5 29,-0.2 31,-0.2 -0.370 38.0 -93.4 -61.6 146.0 5.4 -7.5 17.6 104 104 A T - 0 0 0 29,-2.1 -1,-0.1 1,-0.1 37,-0.1 -0.361 59.1 -81.6 -51.7 143.5 4.2 -4.3 19.3 105 105 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 -0.261 56.8-148.1 -44.9 129.2 1.7 -2.5 17.1 106 106 A Y + 0 0 26 -3,-0.1 2,-2.2 2,-0.1 34,-0.2 -0.702 62.7 11.3-105.0 160.2 3.7 -0.5 14.6 107 107 A Y S S+ 0 0 10 32,-2.1 -1,-0.1 323,-0.7 325,-0.1 -0.214 113.3 69.0 74.4 -45.3 3.0 2.8 12.9 108 108 A N S S- 0 0 10 -2,-2.2 -1,-0.2 323,-0.0 -2,-0.1 0.545 88.5-145.3 -90.1 -0.8 0.0 3.9 15.0 109 109 A K - 0 0 58 30,-0.4 430,-0.2 321,-0.2 -3,-0.1 0.911 14.9-158.4 49.8 59.2 2.2 4.4 18.2 110 110 A P - 0 0 4 0, 0.0 452,-0.1 0, 0.0 -1,-0.1 -0.253 22.6-104.3 -61.7 159.9 -0.1 3.3 21.1 111 111 A T > - 0 0 18 450,-0.3 4,-2.4 428,-0.1 5,-0.2 -0.270 37.9 -99.1 -71.3 170.0 0.6 4.6 24.6 112 112 A Q H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.918 128.6 49.9 -58.1 -41.4 2.3 2.2 27.2 113 113 A E H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.860 108.0 52.5 -65.2 -35.7 -1.2 1.5 28.6 114 114 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.914 108.8 50.3 -66.1 -38.5 -2.6 0.8 25.1 115 115 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.945 110.7 50.4 -62.6 -41.3 0.3 -1.7 24.6 116 116 A Y H X S+ 0 0 35 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.969 113.8 43.6 -60.2 -50.9 -0.7 -3.3 28.0 117 117 A Q H X S+ 0 0 64 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.883 110.6 57.2 -62.4 -38.5 -4.4 -3.5 27.0 118 118 A H H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.965 114.5 36.1 -53.5 -55.7 -3.5 -4.8 23.5 119 119 A Y H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.862 115.8 54.7 -76.9 -29.6 -1.5 -7.7 24.8 120 120 A K H X S+ 0 0 57 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.927 108.1 50.6 -63.6 -41.1 -3.9 -8.3 27.7 121 121 A A H X S+ 0 0 29 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.926 112.7 45.8 -65.6 -37.4 -6.8 -8.5 25.3 122 122 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.929 111.6 50.9 -70.0 -44.1 -5.0 -11.0 23.1 123 123 A A H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.833 114.0 45.4 -61.2 -36.9 -3.9 -13.2 26.1 124 124 A E H < S+ 0 0 134 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.785 114.2 48.2 -78.3 -26.9 -7.5 -13.3 27.4 125 125 A A H < S+ 0 0 46 -4,-1.7 2,-0.5 -5,-0.2 -2,-0.2 0.747 115.8 41.0 -82.3 -27.0 -9.0 -14.0 24.0 126 126 A V < - 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0 0 36 -25,-0.2 4,-1.2 1,-0.1 3,-1.1 -0.849 60.4-166.9-133.4 102.3 3.5 19.2 10.7 480 188 B D H >> S+ 0 0 5 -2,-0.4 4,-0.6 1,-0.3 3,-0.5 0.864 86.0 64.1 -57.9 -36.0 1.0 21.7 12.1 481 189 B E H 34 S+ 0 0 105 1,-0.3 -1,-0.3 51,-0.2 4,-0.1 0.873 120.9 20.0 -57.8 -40.3 3.6 23.4 14.3 482 190 B T H X> S+ 0 0 16 -3,-1.1 4,-2.2 1,-0.1 3,-0.8 0.370 93.7 104.8-109.9 6.0 5.7 24.5 11.2 483 191 B A H S+ 0 0 68 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.926 111.1 51.0 -71.4 -44.4 6.3 28.5 7.6 486 194 B L H <>S+ 0 0 7 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.908 110.8 49.5 -60.9 -35.1 6.4 25.8 4.9 487 195 B M H ><5S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.2 -1,-0.2 0.890 107.4 52.7 -68.6 -37.0 3.4 27.4 3.1 488 196 B L H 3<5S+ 0 0 30 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.815 108.6 53.6 -64.1 -27.2 5.2 30.8 3.2 489 197 B L T 3<5S- 0 0 65 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.399 136.9 -80.8 -91.8 4.6 8.1 28.9 1.6 490 198 B G T < 5S+ 0 0 31 -3,-1.4 -15,-0.3 1,-0.3 -3,-0.2 0.368 77.0 147.8 114.0 5.6 6.0 27.5 -1.3 491 199 B A < - 0 0 2 -5,-2.7 -1,-0.3 -6,-0.2 -15,-0.2 -0.342 47.4-133.7 -67.3 150.1 4.2 24.5 0.1 492 200 B D - 0 0 38 -17,-3.1 -196,-1.9 1,-0.1 2,-0.3 0.551 67.7 -42.1 -86.8 -9.7 0.7 24.0 -1.4 493 201 B G E -jq 296 476C 0 -18,-0.6 -16,-2.6 -198,-0.2 2,-0.4 -0.989 57.5 -90.1 168.3-172.1 -1.2 23.4 1.8 494 202 B N E -jq 297 477C 0 -198,-2.0 -196,-2.6 -2,-0.3 2,-1.0 -0.991 17.1-150.5-135.1 123.1 -1.2 21.7 5.2 495 203 B I E -j 298 0C 3 -18,-2.6 2,-0.3 -2,-0.4 -196,-0.2 -0.855 46.4-162.1 -96.7 99.3 -2.7 18.2 5.7 496 204 B S E -j 299 0C 0 -198,-2.3 -196,-2.9 -2,-1.0 4,-0.1 -0.684 49.3-173.2-112.4 139.7 -3.6 19.1 9.2 497 205 B V S > S+ 0 0 10 -2,-0.3 3,-2.2 -198,-0.2 4,-0.3 0.873 96.6 56.0 -81.2 -49.9 -4.5 17.5 12.6 498 206 B T G >> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 3,-1.9 0.820 92.5 70.9 -54.5 -33.6 -5.3 20.9 14.2 499 207 B A G 34 S+ 0 0 0 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.742 83.2 73.6 -59.7 -18.2 -7.8 21.7 11.4 500 208 B N G <4 S+ 0 0 0 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.830 114.1 20.5 -59.5 -32.5 -10.1 19.0 12.9 501 209 B I T <4 S+ 0 0 3 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.588 135.9 35.3-114.4 -18.4 -10.9 21.3 15.8 502 210 B A X + 0 0 9 -4,-2.1 4,-2.4 1,-0.1 5,-0.2 -0.504 67.9 151.1-129.0 61.5 -10.1 24.8 14.4 503 211 B P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.913 74.9 47.5 -66.5 -36.5 -11.1 24.4 10.7 504 212 B K H > S+ 0 0 90 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.967 114.6 47.1 -69.6 -45.9 -12.0 28.0 10.2 505 213 B A H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 114.1 46.2 -58.4 -40.3 -8.7 29.2 11.8 506 214 B M H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.876 108.3 56.5 -78.8 -31.4 -6.5 26.8 9.9 507 215 B S H X S+ 0 0 19 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.877 110.4 46.2 -63.2 -34.9 -8.3 27.7 6.6 508 216 B E H X S+ 0 0 85 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.922 110.3 51.5 -73.7 -41.3 -7.3 31.3 7.3 509 217 B V H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.928 112.4 47.0 -61.0 -46.1 -3.7 30.5 8.2 510 218 B C H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.922 110.7 51.0 -60.4 -48.0 -3.4 28.5 5.0 511 219 B A H X S+ 0 0 60 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.929 114.9 42.9 -56.0 -46.8 -4.9 31.2 2.7 512 220 B V H <>S+ 0 0 20 -4,-2.6 5,-2.5 1,-0.2 9,-0.2 0.863 115.5 48.3 -73.3 -32.5 -2.6 33.9 4.1 513 221 B A H ><5S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.914 111.0 49.3 -71.7 -39.6 0.5 31.8 4.0 514 222 B I H 3<5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.917 108.2 55.9 -63.3 -36.6 -0.2 30.6 0.5 515 223 B A T 3<5S- 0 0 78 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.506 117.6-119.5 -72.1 -3.2 -0.7 34.3 -0.4 516 224 B K T < 5 + 0 0 104 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.821 61.4 149.5 69.2 34.2 2.8 34.9 1.1 517 225 B D >< - 0 0 58 -5,-2.5 4,-2.9 1,-0.2 -1,-0.2 -0.807 22.0-177.4-103.9 92.0 1.6 37.3 3.8 518 226 B E H > S+ 0 0 110 -2,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.881 76.0 48.2 -64.7 -44.9 4.2 36.5 6.4 519 227 B Q H > S+ 0 0 104 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.937 114.0 45.5 -65.8 -44.3 2.9 38.8 9.1 520 228 B Q H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.913 112.4 52.0 -64.0 -40.8 -0.7 37.6 8.8 521 229 B A H X S+ 0 0 0 -4,-2.9 4,-2.6 -9,-0.2 5,-0.3 0.944 112.8 45.5 -62.0 -45.1 0.5 34.0 8.7 522 230 B K H X S+ 0 0 80 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.928 115.6 46.0 -60.4 -46.0 2.5 34.5 11.9 523 231 B T H X S+ 0 0 66 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.929 116.5 43.0 -67.3 -46.2 -0.3 36.4 13.7 524 232 B L H X S+ 0 0 31 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.919 114.9 49.7 -66.6 -40.0 -3.0 33.9 12.8 525 233 B N H >X S+ 0 0 10 -4,-2.6 3,-1.1 -5,-0.3 4,-0.9 0.885 102.2 62.6 -66.0 -34.2 -0.9 30.9 13.5 526 234 B N H >< S+ 0 0 121 -4,-2.0 3,-0.7 -5,-0.3 4,-0.4 0.857 95.5 60.6 -59.1 -38.2 0.1 32.3 16.9 527 235 B K H 3< S+ 0 0 141 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.773 118.3 28.7 -56.8 -33.2 -3.6 32.2 18.1 528 236 B I H XX S+ 0 0 8 -3,-1.1 4,-1.4 -4,-0.7 3,-0.6 0.345 89.2 106.5-111.0 10.5 -3.7 28.4 17.6 529 237 B A H S+ 0 0 121 -4,-0.4 4,-2.6 1,-0.2 3,-0.3 0.853 102.9 57.9 -66.1 -32.8 -0.7 26.0 21.5 531 239 B L H <> S+ 0 0 2 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.900 99.0 58.5 -61.9 -39.1 -3.2 23.7 20.0 532 240 B H H < S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.2 -51,-0.2 0.861 112.6 41.4 -59.4 -31.5 -0.6 22.3 17.6 533 241 B N H >< S+ 0 0 89 -4,-1.0 3,-1.9 -3,-0.3 -2,-0.2 0.954 113.2 49.5 -79.6 -47.6 1.5 21.2 20.7 534 242 B I H >< S+ 0 0 38 -4,-2.6 3,-1.5 1,-0.3 4,-0.2 0.757 97.2 69.5 -70.3 -19.5 -1.3 19.9 22.9 535 243 B L T 3< S+ 0 0 0 -4,-1.9 9,-0.5 1,-0.3 -1,-0.3 0.480 103.3 45.7 -78.7 0.1 -2.8 17.7 20.1 536 244 B F T < S+ 0 0 92 -3,-1.9 -1,-0.3 7,-0.1 -2,-0.2 0.127 71.1 113.8-125.4 18.1 0.3 15.4 20.3 537 245 B C S < S+ 0 0 45 -3,-1.5 2,-0.3 2,-0.1 -2,-0.1 0.823 98.5 15.7 -61.3 -32.8 0.5 15.1 24.2 538 246 B E S S- 0 0 31 -4,-0.2 27,-0.1 -3,-0.1 4,-0.0 -0.883 122.5 -64.4-127.5 166.6 -0.3 11.5 23.4 539 247 B S S > S- 0 0 32 -2,-0.3 3,-2.7 -430,-0.2 -428,-0.1 -0.163 75.5 -80.6 -55.5 131.5 0.0 10.0 20.0 540 248 B N T 3 S+ 0 0 7 1,-0.3 -1,-0.1 2,-0.2 -4,-0.1 -0.443 113.9 32.5 -59.9 142.6 -2.4 11.5 17.5 541 249 B P T 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 -0.890 104.5 79.0 -93.9 25.3 -5.3 10.9 17.0 542 250 B I H <> S+ 0 0 1 -3,-2.7 4,-1.7 1,-0.2 23,-0.5 0.972 102.2 35.5 -61.4 -52.8 -5.7 10.2 20.7 543 251 B P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.889 116.0 53.1 -69.3 -37.8 -5.9 13.8 21.8 544 252 B V H > S+ 0 0 0 -9,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.891 107.4 51.7 -63.9 -35.7 -7.7 15.2 18.8 545 253 B K H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.891 111.1 48.2 -64.2 -40.2 -10.5 12.7 19.3 546 254 B W H X S+ 0 0 23 -4,-1.7 4,-2.9 -5,-0.2 5,-0.2 0.911 109.5 54.1 -63.3 -42.3 -10.8 13.7 23.0 547 255 B A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.929 108.6 48.1 -59.8 -47.6 -10.9 17.4 21.9 548 256 B L H <>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 6,-1.0 0.841 110.0 51.9 -62.3 -32.3 -13.8 16.7 19.5 549 257 B H H ><5S+ 0 0 58 -4,-1.5 3,-1.7 4,-0.2 -2,-0.2 0.916 108.6 51.0 -70.0 -41.8 -15.7 14.8 22.3 550 258 B E H 3<5S+ 0 0 52 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.852 107.1 54.7 -61.6 -29.7 -15.2 17.9 24.6 551 259 B M T 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.459 117.4-118.0 -79.0 -3.8 -16.6 20.1 21.8 552 260 B G T < 5S+ 0 0 65 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.619 85.4 112.1 77.6 17.6 -19.7 17.8 21.7 553 261 B L S - 0 0 35 -2,-0.3 3,-2.3 4,-0.1 -217,-0.1 -0.710 40.6 -79.9 -95.8 133.3 -9.9 1.4 18.7 560 268 B L T 3 S+ 0 0 61 -2,-0.4 -478,-1.5 1,-0.4 -477,-0.5 -0.299 115.3 42.0 -54.3 138.0 -7.3 -0.7 20.5 561 269 B P T 3 S+ 0 0 0 0, 0.0 -1,-0.4 0, 0.0 -450,-0.3 -0.979 115.2 68.1 -86.2 2.9 -4.3 -0.4 20.6 562 270 B L S < S- 0 0 5 -3,-2.3 -4,-0.1 -452,-0.1 -453,-0.1 -0.482 71.6-161.5 -78.6 160.4 -5.2 3.2 20.8 563 271 B T - 0 0 18 -2,-0.1 3,-0.1 -3,-0.1 -4,-0.1 -0.950 28.7 -87.6-142.0 147.5 -6.9 4.4 24.0 564 272 B P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 -22,-0.1 -0.270 69.8 -76.0 -57.2 147.6 -9.0 7.4 25.0 565 273 B L - 0 0 0 -23,-0.5 5,-0.1 1,-0.1 -3,-0.0 -0.158 61.8 -95.0 -48.0 134.4 -6.8 10.2 26.1 566 274 B A > - 0 0 23 -3,-0.1 3,-2.3 1,-0.1 4,-0.4 -0.225 33.8-115.8 -60.2 143.0 -5.5 9.6 29.6 567 275 B E G >> S+ 0 0 153 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.811 110.0 61.1 -49.1 -41.5 -7.6 11.2 32.3 568 276 B Q G 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.682 102.2 51.9 -63.6 -20.1 -4.8 13.5 33.5 569 277 B Y G <> S+ 0 0 77 -3,-2.3 4,-1.6 1,-0.1 -1,-0.3 0.537 88.6 81.0 -94.7 -7.6 -4.5 15.2 30.2 570 278 B R H <> S+ 0 0 54 -3,-1.6 4,-2.6 -4,-0.4 -2,-0.1 0.907 92.0 46.9 -71.2 -41.4 -8.3 16.1 29.8 571 279 B E H X S+ 0 0 84 -4,-0.6 4,-2.4 2,-0.2 5,-0.2 0.961 113.3 48.0 -61.4 -52.6 -8.3 19.2 32.0 572 280 B P H > S+ 0 0 56 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.877 113.7 49.6 -54.1 -36.5 -5.2 20.7 30.4 573 281 B L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.929 109.7 49.9 -72.5 -41.9 -6.7 20.0 26.9 574 282 B R H X S+ 0 0 72 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.892 109.7 52.1 -58.3 -40.1 -10.0 21.6 28.0 575 283 B N H X S+ 0 0 68 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.897 108.5 50.1 -66.2 -41.1 -8.1 24.7 29.1 576 284 B A H X S+ 0 0 15 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.865 111.3 48.7 -61.4 -39.4 -6.2 24.9 25.8 577 285 B L H <>S+ 0 0 0 -4,-2.2 5,-2.0 2,-0.2 6,-1.0 0.887 113.0 48.1 -67.4 -41.9 -9.6 24.7 23.9 578 286 B K H ><5S+ 0 0 108 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.949 110.9 50.1 -64.8 -42.8 -11.0 27.4 26.2 579 287 B D H 3<5S+ 0 0 138 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.868 109.6 52.3 -58.0 -40.9 -8.0 29.6 25.7 580 288 B A T 3<5S- 0 0 34 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.458 114.2-117.8 -75.6 -4.9 -8.3 29.2 21.9 581 289 B G T < 5S+ 0 0 64 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.561 82.5 118.9 77.2 11.1 -12.0 30.2 22.0 582 290 B I < 0 0 45 -5,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 0.888 360.0 360.0 -81.8 -41.3 -13.1 26.8 20.7 583 291 B I 0 0 99 -6,-1.0 -2,-0.2 -9,-0.2 -1,-0.1 -0.890 360.0 360.0-118.6 360.0 -15.2 25.9 23.7