==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 23-MAR-10 2X9Q . COMPND 2 MOLECULE: CYCLODIPEPTIDE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR M.W.VETTING,S.S.HEGDE,J.S.BLANCHARD . 453 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20545.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 2 0 2 0 0 0 0 3 0 2 1 0 0 0 1 0 0 0 1 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 49 A F 0 0 118 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.7 47.5 -2.4 100.6 2 50 A Q - 0 0 57 1,-0.1 5,-0.1 2,-0.0 20,-0.0 -0.511 360.0-148.2 -89.7 152.7 46.2 -2.1 96.9 3 51 A L + 0 0 144 -2,-0.2 -1,-0.1 206,-0.0 2,-0.1 0.375 60.7 98.2-105.7 -4.1 44.4 -4.9 95.1 4 52 A G S S- 0 0 46 1,-0.1 3,-0.4 209,-0.0 -2,-0.0 -0.231 72.0-118.0 -86.3 174.9 45.5 -4.4 91.4 5 53 A R S S+ 0 0 157 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.873 101.2 28.8 -95.5 -32.3 48.2 -6.1 89.4 6 54 A R S S- 0 0 140 2,-0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.559 80.7-159.3-122.4 68.0 50.7 -3.5 88.3 7 55 A I - 0 0 84 -3,-0.4 15,-0.1 -2,-0.2 14,-0.1 -0.170 21.2-123.9 -38.2 114.0 50.3 -0.9 91.1 8 56 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.343 21.2-141.2 -65.0 149.9 51.7 2.4 89.7 9 57 A E - 0 0 167 1,-0.1 2,-0.1 10,-0.0 9,-0.0 -0.671 33.6 -78.3-102.1 174.5 54.5 4.0 91.6 10 58 A A - 0 0 48 -2,-0.2 2,-0.4 9,-0.2 9,-0.3 -0.380 34.6-152.1 -75.2 138.0 54.9 7.7 92.2 11 59 A T E -A 18 0A 60 7,-2.9 7,-3.1 -2,-0.1 2,-0.4 -0.953 20.6-125.2-107.9 131.3 56.2 10.1 89.5 12 60 A A E +A 17 0A 74 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.682 38.0 166.8 -75.3 122.2 58.0 13.4 90.7 13 61 A Q E > -A 16 0A 35 3,-2.6 3,-2.4 -2,-0.4 219,-0.1 -0.961 62.3 -28.9-142.9 121.4 56.4 16.5 89.2 14 62 A E T 3 S- 0 0 97 -2,-0.3 43,-0.1 1,-0.3 3,-0.1 0.833 128.3 -38.9 40.0 50.7 57.0 20.2 90.3 15 63 A G T 3 S+ 0 0 53 1,-0.2 217,-2.6 216,-0.1 2,-0.3 0.405 121.4 96.8 86.2 3.1 57.7 19.3 94.0 16 64 A F E < -AB 13 231A 5 -3,-2.4 -3,-2.6 215,-0.3 2,-0.6 -0.896 67.0-134.6-119.7 150.1 55.1 16.6 94.3 17 65 A L E -AB 12 230A 63 213,-3.3 213,-2.4 -2,-0.3 2,-0.6 -0.922 26.5-158.6 -96.3 124.4 55.1 12.8 94.2 18 66 A V E -AB 11 229A 0 -7,-3.1 -7,-2.9 -2,-0.6 211,-0.2 -0.945 11.1-177.1-107.1 119.5 52.0 11.8 92.0 19 67 A R E - B 0 228A 68 209,-3.1 209,-2.9 -2,-0.6 -9,-0.2 -0.858 15.8-148.3-119.5 96.9 50.9 8.2 92.6 20 68 A P E - B 0 227A 0 0, 0.0 207,-0.3 0, 0.0 6,-0.1 -0.360 15.0-133.4 -62.9 144.3 47.9 7.2 90.4 21 69 A F S S+ 0 0 24 205,-2.9 2,-0.3 -14,-0.1 206,-0.1 0.889 82.8 11.4 -72.2 -39.9 45.8 4.7 92.2 22 70 A T S > S- 0 0 26 204,-0.4 4,-1.5 -15,-0.1 5,-0.1 -0.842 82.9-102.9-127.3 171.6 45.5 2.2 89.2 23 71 A Q H > S+ 0 0 30 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.803 124.3 53.2 -64.0 -29.0 47.2 1.7 85.8 24 72 A Q H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.884 103.5 55.2 -76.2 -30.5 44.2 3.2 84.2 25 73 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.810 104.2 57.1 -62.8 -34.7 44.4 6.3 86.5 26 74 A Q H X S+ 0 0 84 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.858 103.0 51.7 -68.0 -35.5 47.9 6.7 85.2 27 75 A I H X S+ 0 0 17 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.906 110.7 49.2 -59.0 -45.5 46.7 6.9 81.6 28 76 A I H X>S+ 0 0 2 -4,-2.0 4,-1.1 2,-0.2 5,-0.6 0.903 108.0 52.9 -62.5 -39.7 44.2 9.6 82.7 29 77 A H H ><5S+ 0 0 12 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.941 110.4 49.0 -56.3 -50.8 47.0 11.5 84.5 30 78 A T H 3<5S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.804 99.9 64.3 -60.8 -34.4 49.0 11.4 81.2 31 79 A E H 3<5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.831 89.3-157.7 -58.2 -34.1 46.0 12.6 79.2 32 80 A G T <<5 + 0 0 8 -4,-1.1 31,-2.8 -3,-0.9 32,-0.1 0.843 46.0 130.8 64.4 31.6 46.3 15.9 81.2 33 81 A D < - 0 0 14 -5,-0.6 31,-1.2 1,-0.3 2,-0.3 0.949 69.5 -13.7 -78.2 -50.1 42.7 17.0 80.7 34 82 A H E -c 64 0A 1 -6,-0.2 164,-2.5 29,-0.2 2,-0.4 -0.999 48.7-162.8-157.7 141.1 41.6 17.9 84.2 35 83 A A E -cd 65 198A 0 29,-1.4 31,-3.0 -2,-0.3 2,-0.6 -1.000 10.4-152.4-127.0 140.9 42.3 17.6 87.8 36 84 A V E -cd 66 199A 2 162,-1.7 164,-3.3 -2,-0.4 2,-0.7 -0.953 10.4-164.8 -97.0 126.5 40.2 18.1 90.9 37 85 A I E -cd 67 200A 4 29,-2.5 31,-1.9 -2,-0.6 2,-0.2 -0.942 15.1-153.6-106.6 99.6 42.3 19.2 93.9 38 86 A G E -c 68 0A 16 162,-1.4 2,-0.4 -2,-0.7 31,-0.2 -0.513 8.2-161.5 -77.3 144.0 40.0 18.6 96.8 39 87 A V E -c 69 0A 1 29,-2.4 31,-2.1 -2,-0.2 60,-0.0 -0.999 5.7-149.3-132.4 130.5 40.6 20.8 99.9 40 88 A S > - 0 0 14 -2,-0.4 3,-0.8 29,-0.2 6,-0.2 -0.874 19.7-125.9 -99.2 135.0 39.4 20.1 103.5 41 89 A P T 3 S+ 0 0 12 0, 0.0 55,-0.2 0, 0.0 54,-0.1 -0.341 92.9 27.2 -74.8 154.8 38.6 23.0 105.8 42 90 A G T 3 S+ 0 0 56 53,-0.5 2,-0.6 1,-0.2 54,-0.1 0.709 90.0 122.2 71.8 18.7 40.4 23.0 109.2 43 91 A N X - 0 0 55 -3,-0.8 3,-1.9 52,-0.1 -1,-0.2 -0.931 52.7-155.6-124.1 108.0 43.4 21.0 107.9 44 92 A S T 3 S+ 0 0 114 -2,-0.6 3,-0.3 1,-0.3 -1,-0.1 0.653 84.3 80.6 -65.5 -13.6 46.7 22.7 108.3 45 93 A Y T 3 S+ 0 0 36 1,-0.2 2,-1.9 5,-0.0 -1,-0.3 0.894 82.2 70.9 -52.5 -37.6 48.2 20.7 105.3 46 94 A F S < S+ 0 0 6 -3,-1.9 -1,-0.2 -6,-0.2 -3,-0.1 -0.360 70.7 157.7 -84.8 63.8 46.5 23.3 103.1 47 95 A S > - 0 0 42 -2,-1.9 4,-2.4 -3,-0.3 5,-0.2 -0.276 58.7-101.2 -74.7 167.4 48.7 26.2 103.9 48 96 A R H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 124.5 48.1 -55.4 -45.7 48.9 29.2 101.5 49 97 A Q H > S+ 0 0 111 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.922 110.7 50.4 -64.9 -42.8 52.3 27.9 100.2 50 98 A R H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.901 111.0 49.8 -63.1 -40.1 51.0 24.3 99.7 51 99 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 111.8 48.1 -65.2 -42.7 47.9 25.6 97.8 52 100 A R H X S+ 0 0 82 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.914 111.4 49.5 -60.6 -44.3 50.1 27.7 95.6 53 101 A D H X S+ 0 0 56 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.949 112.7 48.6 -62.6 -40.7 52.5 24.8 94.9 54 102 A L H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.872 109.8 50.8 -62.6 -45.3 49.4 22.6 94.1 55 103 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 112.4 46.6 -62.4 -40.8 48.0 25.3 91.7 56 104 A L H X S+ 0 0 72 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.921 113.3 49.0 -66.5 -43.0 51.4 25.6 89.9 57 105 A W H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.946 113.0 50.1 -58.8 -46.9 51.7 21.7 89.7 58 106 A G H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.886 110.5 45.8 -61.0 -46.3 48.1 21.6 88.4 59 107 A L H < S+ 0 0 29 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.807 111.1 54.1 -72.6 -27.4 48.5 24.2 85.7 60 108 A T H < S+ 0 0 86 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.834 120.1 31.6 -66.5 -31.4 51.8 22.6 84.5 61 109 A N H < S+ 0 0 37 -4,-1.4 2,-0.3 -3,-0.1 -2,-0.2 0.595 115.1 43.9-114.3 -6.0 50.1 19.2 84.1 62 110 A F < - 0 0 4 -4,-2.0 -29,-0.2 -5,-0.1 -28,-0.1 -0.983 66.3-129.6-139.2 149.7 46.4 19.6 83.1 63 111 A D S S+ 0 0 89 -31,-2.8 2,-0.3 -2,-0.3 -29,-0.2 0.844 99.6 15.1 -63.2 -33.1 44.4 21.8 80.7 64 112 A R E -c 34 0A 70 -31,-1.2 -29,-1.4 -32,-0.1 2,-0.4 -0.992 67.7-164.2-144.8 146.1 42.1 22.8 83.4 65 113 A V E -ce 35 117A 0 51,-2.8 53,-1.9 -2,-0.3 2,-0.5 -0.998 0.3-167.2-137.1 129.4 42.2 22.5 87.3 66 114 A D E -ce 36 118A 0 -31,-3.0 -29,-2.5 -2,-0.4 2,-0.5 -0.981 8.4-156.8-120.4 118.7 39.3 22.9 89.8 67 115 A F E -ce 37 119A 0 51,-2.8 53,-1.5 -2,-0.5 2,-0.4 -0.820 17.0-169.7 -82.5 134.9 40.1 23.3 93.5 68 116 A V E -ce 38 120A 0 -31,-1.9 -29,-2.4 -2,-0.5 2,-0.4 -0.985 4.5-158.9-129.8 117.9 36.9 22.1 95.3 69 117 A Y E -ce 39 121A 12 51,-1.5 53,-2.8 -2,-0.4 2,-0.5 -0.801 21.9-119.2-100.8 141.5 36.6 22.7 99.1 70 118 A T + 0 0 2 -31,-2.1 111,-0.0 -2,-0.4 107,-0.0 -0.628 41.4 159.9 -79.9 121.0 34.3 20.7 101.2 71 119 A D + 0 0 34 -2,-0.5 2,-0.4 -31,-0.1 -1,-0.1 -0.008 48.9 85.0-126.9 24.6 31.7 23.0 102.9 72 120 A V S S+ 0 0 18 1,-0.1 50,-0.0 2,-0.1 108,-0.0 -0.973 92.8 10.8-130.4 146.5 29.0 20.4 103.8 73 121 A H S > S+ 0 0 50 -2,-0.4 4,-1.1 1,-0.1 104,-0.1 0.608 90.0 117.7 59.8 15.3 28.7 18.1 106.8 74 122 A V H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.1 3,-0.2 0.937 75.5 43.1 -74.0 -51.2 31.6 20.1 108.5 75 123 A A H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 113.2 55.8 -58.2 -44.9 29.5 21.4 111.5 76 124 A E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 105.9 50.2 -58.3 -38.0 28.0 17.9 111.8 77 125 A S H X S+ 0 0 30 -4,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.834 109.2 50.3 -66.6 -42.5 31.4 16.4 112.1 78 126 A Y H <>S+ 0 0 34 -4,-1.8 5,-2.4 2,-0.2 -2,-0.2 0.881 111.1 49.8 -63.0 -40.4 32.5 18.8 114.8 79 127 A E H ><5S+ 0 0 96 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.933 107.8 53.0 -60.5 -45.4 29.3 18.0 116.7 80 128 A A H 3<5S+ 0 0 17 -4,-2.1 90,-0.2 1,-0.3 -1,-0.2 0.798 105.3 56.8 -65.1 -21.6 30.0 14.3 116.4 81 129 A L T 3<5S- 0 0 126 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.449 133.5 -88.5 -87.7 4.3 33.4 15.0 117.9 82 130 A G T < 5S+ 0 0 65 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.491 82.5 131.3 108.7 4.3 31.8 16.6 121.0 83 131 A D < - 0 0 45 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.0 -0.576 62.8-106.2 -82.5 157.3 31.2 20.3 120.2 84 132 A S > - 0 0 73 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.304 35.6-106.9 -69.3 163.3 27.7 21.8 121.0 85 133 A A H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 120.4 49.3 -61.1 -39.7 25.7 22.5 117.8 86 134 A I H > S+ 0 0 116 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 114.1 42.8 -64.2 -49.7 26.2 26.2 118.2 87 135 A E H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.896 111.2 56.6 -71.6 -38.2 29.9 26.0 118.7 88 136 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.920 110.2 45.4 -53.8 -43.4 30.2 23.3 115.8 89 137 A R H X S+ 0 0 155 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.912 109.9 54.0 -68.5 -41.5 28.6 25.8 113.4 90 138 A R H X S+ 0 0 132 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.930 113.8 42.4 -54.5 -47.7 30.8 28.7 114.6 91 139 A K H X S+ 0 0 62 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.847 112.9 52.6 -70.6 -38.7 34.0 26.7 113.9 92 140 A A H X S+ 0 0 6 -4,-2.3 4,-3.0 -5,-0.2 5,-0.3 0.931 110.6 48.7 -59.2 -47.8 32.6 25.3 110.6 93 141 A V H X S+ 0 0 65 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.967 114.7 45.5 -60.3 -47.1 31.9 28.9 109.5 94 142 A K H X S+ 0 0 107 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.904 115.6 44.3 -60.7 -46.5 35.3 30.0 110.5 95 143 A N H X S+ 0 0 34 -4,-2.7 4,-2.3 2,-0.2 -53,-0.5 0.855 113.5 50.9 -70.8 -35.9 37.2 27.1 108.9 96 144 A I H X S+ 0 0 21 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.940 110.5 49.1 -67.6 -44.0 35.2 27.3 105.7 97 145 A R H X S+ 0 0 156 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.910 111.9 50.7 -54.0 -46.7 35.9 31.1 105.4 98 146 A G H X S+ 0 0 31 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.945 114.1 40.9 -62.2 -48.0 39.6 30.5 106.0 99 147 A V H X S+ 0 0 10 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.941 115.0 52.0 -72.0 -38.8 40.0 27.7 103.3 100 148 A R H X S+ 0 0 93 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.919 113.1 45.7 -54.3 -49.4 37.7 29.6 100.8 101 149 A A H X S+ 0 0 51 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.931 111.6 49.8 -65.1 -46.6 39.8 32.7 101.2 102 150 A K H X S+ 0 0 85 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.931 116.2 43.8 -59.4 -41.6 43.2 30.9 101.0 103 151 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.5 51.6 -68.3 -46.6 42.1 29.2 97.8 104 152 A T H X S+ 0 0 50 -4,-3.1 4,-2.2 -5,-0.3 5,-0.2 0.914 111.1 47.4 -57.8 -42.0 40.5 32.3 96.4 105 153 A T H X S+ 0 0 52 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.938 111.3 53.0 -63.7 -47.2 43.8 34.3 96.9 106 154 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.925 111.9 43.7 -47.6 -49.3 45.8 31.4 95.4 107 155 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 2,-0.2 7,-0.3 0.861 112.2 52.0 -72.9 -35.1 43.6 31.4 92.2 108 156 A N H < S+ 0 0 99 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.917 113.7 46.4 -67.9 -40.9 43.6 35.2 91.8 109 157 A E H < S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 121.4 34.2 -65.4 -45.6 47.3 35.1 92.1 110 158 A L H < S+ 0 0 31 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.763 135.5 17.1 -84.7 -29.8 48.0 32.3 89.6 111 159 A D >< + 0 0 20 -4,-2.6 3,-3.2 -5,-0.2 -1,-0.2 -0.431 62.9 170.4-147.5 64.0 45.2 32.8 87.1 112 160 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.860 82.7 55.8 -44.1 -40.6 43.7 36.4 87.4 113 161 A A T 3 S- 0 0 91 -3,-0.1 -5,-0.1 1,-0.1 -2,-0.0 0.552 101.2-133.4 -77.4 -6.7 41.8 35.8 84.3 114 162 A G < + 0 0 42 -3,-3.2 -1,-0.1 -7,-0.3 -6,-0.1 0.805 62.8 134.4 62.4 26.3 40.0 32.6 85.5 115 163 A A S S- 0 0 77 -4,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.862 80.5 -1.6 -78.1 -42.4 40.9 30.9 82.2 116 164 A R S S+ 0 0 96 1,-0.2 -51,-2.8 -52,-0.1 2,-0.4 0.653 121.0 60.6-123.7 -25.1 42.1 27.5 83.4 117 165 A L E +e 65 0A 1 -53,-0.2 2,-0.3 -6,-0.1 -1,-0.2 -0.943 57.0 169.0-120.1 127.0 42.0 27.4 87.3 118 166 A C E -e 66 0A 40 -53,-1.9 -51,-2.8 -2,-0.4 2,-0.4 -0.908 19.4-151.5-135.7 157.0 38.8 27.8 89.3 119 167 A V E +e 67 0A 37 -2,-0.3 -51,-0.2 -53,-0.2 -53,-0.0 -0.983 23.4 159.3-126.7 142.1 37.7 27.3 93.0 120 168 A R E -e 68 0A 46 -53,-1.5 -51,-1.5 -2,-0.4 2,-0.2 -0.975 38.7-102.4-156.6 160.1 34.3 26.4 94.2 121 169 A P E > -e 69 0A 18 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.508 28.5-122.6 -78.3 151.6 32.5 24.9 97.1 122 170 A X G > S+ 0 0 8 -53,-2.8 3,-1.6 1,-0.3 4,-0.3 0.858 110.3 63.9 -56.2 -36.5 31.3 21.3 97.1 123 171 A S G > S+ 0 0 36 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.747 86.3 71.7 -62.1 -25.6 27.7 22.6 97.9 124 172 A E G X S+ 0 0 102 -3,-1.5 3,-1.1 1,-0.2 -1,-0.3 0.828 88.4 63.1 -61.7 -28.5 27.6 24.4 94.5 125 173 A F G X S+ 0 0 5 -3,-1.6 3,-2.3 -4,-0.5 7,-0.3 0.666 79.5 85.1 -70.3 -11.4 27.4 20.9 92.8 126 174 A Q G < S+ 0 0 86 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.792 90.7 48.3 -65.3 -20.3 24.0 20.3 94.5 127 175 A S G < S+ 0 0 97 -3,-1.1 2,-0.5 -4,-0.3 -1,-0.3 0.446 89.0 101.7 -95.4 5.9 22.4 22.2 91.7 128 176 A N <> - 0 0 44 -3,-2.3 4,-2.6 1,-0.1 5,-0.2 -0.756 66.4-147.1 -87.8 122.0 24.3 20.2 89.0 129 177 A E H > S+ 0 0 145 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.929 96.6 49.9 -59.3 -43.7 22.0 17.5 87.5 130 178 A A H > S+ 0 0 24 60,-0.2 4,-2.8 1,-0.2 5,-0.2 0.931 112.6 48.8 -60.8 -41.7 24.8 14.8 86.9 131 179 A Y H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.949 111.3 50.0 -60.8 -49.7 26.0 15.3 90.5 132 180 A R H X S+ 0 0 163 -4,-2.6 4,-2.5 -7,-0.3 -1,-0.2 0.880 111.4 47.9 -59.2 -38.8 22.5 14.9 91.8 133 181 A E H X S+ 0 0 120 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.931 113.2 47.8 -66.8 -43.9 22.0 11.7 89.7 134 182 A L H X S+ 0 0 35 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.931 114.1 47.3 -60.0 -46.3 25.3 10.2 90.9 135 183 A H H X S+ 0 0 47 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.937 113.6 46.6 -62.8 -49.8 24.5 11.1 94.6 136 184 A A H X S+ 0 0 52 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 112.1 50.8 -61.0 -45.5 20.9 9.7 94.5 137 185 A D H X S+ 0 0 67 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.902 110.9 49.3 -55.9 -45.3 22.1 6.5 92.8 138 186 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.941 112.1 47.4 -62.2 -49.0 24.8 6.0 95.5 139 187 A L H X S+ 0 0 79 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.877 111.5 51.5 -58.0 -39.5 22.3 6.6 98.3 140 188 A T H X S+ 0 0 73 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.940 109.5 49.3 -68.2 -45.9 19.8 4.1 96.6 141 189 A R H X S+ 0 0 86 -4,-2.7 4,-2.0 1,-0.2 8,-0.3 0.890 110.7 49.7 -59.5 -42.6 22.5 1.4 96.3 142 190 A L H < S+ 0 0 18 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.822 114.2 46.3 -59.0 -35.2 23.5 1.8 99.9 143 191 A K H < S+ 0 0 168 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.929 120.6 37.7 -77.1 -42.4 19.9 1.5 101.0 144 192 A D H < S+ 0 0 117 -4,-3.0 2,-0.6 1,-0.2 -2,-0.2 0.662 112.6 55.2 -80.8 -23.4 19.1 -1.4 98.8 145 193 A D X - 0 0 69 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 -0.866 53.5-178.1-124.1 100.0 22.3 -3.5 99.1 146 194 A E H > S+ 0 0 128 -2,-0.6 4,-1.8 2,-0.2 -1,-0.1 0.774 84.3 55.6 -74.3 -22.3 23.4 -4.4 102.6 147 195 A D H > S+ 0 0 118 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.934 111.3 44.3 -71.2 -44.5 26.6 -6.2 101.5 148 196 A X H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.942 113.8 51.1 -61.4 -46.9 27.8 -3.1 99.6 149 197 A R H X S+ 0 0 93 -4,-2.7 4,-2.6 -8,-0.3 -1,-0.2 0.879 107.7 52.4 -55.1 -43.2 26.8 -0.9 102.5 150 198 A A H X S+ 0 0 58 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 108.6 50.4 -63.2 -43.0 28.8 -3.2 105.0 151 199 A V H X S+ 0 0 67 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.950 111.3 48.8 -56.3 -49.0 31.9 -2.9 102.8 152 200 A C H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.869 110.6 51.2 -61.0 -37.3 31.5 0.9 102.8 153 201 A Q H X S+ 0 0 35 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.892 108.7 50.6 -67.5 -37.8 31.1 0.9 106.6 154 202 A D H X S+ 0 0 76 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.920 111.1 49.2 -60.9 -46.3 34.2 -1.1 107.1 155 203 A L H X S+ 0 0 17 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.916 111.1 50.7 -62.0 -37.2 36.1 1.4 104.8 156 204 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.938 110.6 47.5 -63.4 -47.5 34.6 4.3 106.9 157 205 A R H X S+ 0 0 109 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.887 111.2 51.9 -63.0 -39.2 35.8 2.7 110.2 158 206 A R H X S+ 0 0 128 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.952 112.0 46.3 -60.0 -47.4 39.2 2.1 108.7 159 207 A F H >X S+ 0 0 63 -4,-2.2 3,-0.8 1,-0.2 4,-0.6 0.881 114.1 47.2 -61.2 -41.7 39.4 5.7 107.7 160 208 A L H >< S+ 0 0 38 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.850 101.7 64.2 -70.0 -31.6 38.2 7.0 111.1 161 209 A S H 3< S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.646 104.5 48.3 -68.5 -15.0 40.6 4.7 113.0 162 210 A T H << 0 0 109 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.665 360.0 360.0 -87.5 -23.8 43.5 6.8 111.4 163 211 A K << 0 0 109 -3,-0.9 -3,-0.1 -4,-0.6 -4,-0.0 0.287 360.0 360.0-118.4 360.0 42.0 10.3 112.2 164 ! 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 0.0 165 217 A G 0 0 135 0, 0.0 2,-0.1 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0-136.4 37.5 4.1 118.7 166 218 A A - 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H 0 452B 90 200,-3.3 200,-2.6 -2,-0.5 -9,-0.2 -0.858 16.6-146.4-117.3 99.3 44.6 -4.0 68.2 253 68 B P E - H 0 451B 0 0, 0.0 198,-0.3 0, 0.0 6,-0.1 -0.373 15.8-132.9 -58.4 140.4 43.1 -2.7 71.5 254 69 B F S S+ 0 0 14 196,-3.0 2,-0.3 -14,-0.1 197,-0.1 0.847 81.8 9.3 -70.0 -32.3 40.7 0.1 70.7 255 70 B T S > S- 0 0 3 195,-0.4 4,-1.7 -15,-0.1 -15,-0.1 -0.852 84.4 -99.2-141.2 167.1 42.0 2.6 73.4 256 71 B Q H > S+ 0 0 32 -17,-0.5 4,-1.6 -20,-0.4 5,-0.1 0.850 124.8 50.7 -60.3 -35.1 45.0 2.7 75.8 257 72 B Q H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 104.9 57.6 -72.9 -34.1 42.8 1.4 78.7 258 73 B C H > S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.881 104.3 54.6 -56.3 -38.1 41.6 -1.5 76.4 259 74 B Q H X S+ 0 0 54 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.917 105.5 49.6 -63.4 -44.4 45.3 -2.3 76.1 260 75 B I H X S+ 0 0 14 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.930 112.8 48.5 -59.2 -41.3 45.7 -2.5 79.9 261 76 B I H X>S+ 0 0 3 -4,-2.3 4,-1.2 2,-0.2 5,-0.5 0.914 108.2 53.7 -69.4 -35.7 42.7 -4.8 80.0 262 77 B H H ><5S+ 0 0 9 -4,-2.8 3,-1.1 1,-0.2 -2,-0.2 0.980 111.3 46.9 -55.6 -50.7 44.1 -6.9 77.2 263 78 B T H 3<5S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.835 100.6 64.8 -67.0 -31.5 47.3 -7.3 79.2 264 79 B E H 3<5S- 0 0 17 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.859 88.8-158.8 -57.5 -32.8 45.4 -8.2 82.4 265 80 B G T <<5 + 0 0 7 -4,-1.2 31,-2.3 -3,-1.1 -3,-0.1 0.834 43.5 132.6 60.5 32.6 44.3 -11.3 80.5 266 81 B D S - 0 0 14 -2,-0.4 3,-0.7 29,-0.2 6,-0.2 -0.899 21.0-123.5-101.2 139.9 28.2 -14.3 63.5 274 89 B P T 3 S+ 0 0 11 0, 0.0 55,-0.1 0, 0.0 54,-0.1 -0.342 92.3 27.4 -73.0 162.0 26.4 -17.2 61.7 275 90 B G T 3 S+ 0 0 58 53,-0.4 2,-0.5 1,-0.2 54,-0.1 0.743 89.7 121.7 63.1 22.8 26.5 -17.4 57.9 276 91 B N X - 0 0 56 -3,-0.7 3,-1.9 52,-0.1 -1,-0.2 -0.942 54.3-155.4-123.4 109.8 29.9 -15.6 57.8 277 92 B S T 3 S+ 0 0 116 -2,-0.5 3,-0.4 1,-0.3 -1,-0.1 0.636 84.1 83.9 -68.1 -9.4 32.7 -17.7 56.1 278 93 B Y T 3 S+ 0 0 41 1,-0.2 2,-1.7 -5,-0.0 -1,-0.3 0.943 83.7 66.8 -50.0 -38.7 35.3 -15.8 58.1 279 94 B F < + 0 0 7 -3,-1.9 -1,-0.2 -6,-0.2 -3,-0.1 -0.321 69.6 157.9 -87.8 64.6 34.5 -18.3 60.9 280 95 B S > - 0 0 44 -2,-1.7 4,-2.2 -3,-0.4 5,-0.2 -0.321 59.5-101.2 -72.7 168.2 35.8 -21.6 59.3 281 96 B R H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.840 124.8 52.0 -57.8 -38.9 36.6 -24.5 61.7 282 97 B Q H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.915 109.0 48.1 -63.0 -48.8 40.2 -23.6 61.3 283 98 B R H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.848 111.4 50.7 -60.0 -40.1 39.7 -20.0 62.2 284 99 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.832 111.6 49.0 -66.2 -35.8 37.6 -20.9 65.3 285 100 B R H X S+ 0 0 80 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.894 110.3 49.2 -70.9 -38.6 40.3 -23.2 66.4 286 101 B D H X S+ 0 0 53 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 112.3 48.9 -66.9 -41.1 43.0 -20.6 66.0 287 102 B L H X S+ 0 0 8 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.897 109.8 52.1 -59.3 -46.2 40.9 -18.0 67.9 288 103 B G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.877 111.0 47.0 -62.9 -38.4 40.3 -20.5 70.7 289 104 B L H X S+ 0 0 70 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.890 113.1 47.5 -64.9 -45.1 44.0 -21.3 71.0 290 105 B W H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.916 113.3 52.0 -60.5 -42.4 44.9 -17.6 71.0 291 106 B G H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 3,-0.3 0.954 110.5 45.1 -59.9 -55.0 42.1 -17.1 73.7 292 107 B L H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 113.4 51.1 -63.8 -30.3 43.4 -19.9 76.0 293 108 B T H < S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.876 121.6 30.1 -70.3 -37.5 46.9 -18.6 75.7 294 109 B N H < S+ 0 0 39 -4,-1.9 2,-0.4 -3,-0.3 -2,-0.2 0.511 116.1 49.3-106.9 -6.4 46.1 -15.0 76.5 295 110 B F < - 0 0 2 -4,-1.9 -29,-0.2 -5,-0.2 -28,-0.1 -0.994 65.5-135.0-140.2 142.9 43.0 -15.1 78.9 296 111 B D S S+ 0 0 99 -31,-2.3 2,-0.3 -2,-0.4 -29,-0.2 0.860 97.7 12.0 -59.7 -34.1 42.0 -16.9 82.0 297 112 B R E -i 267 0B 69 -31,-1.4 -29,-1.3 -32,-0.1 2,-0.3 -0.991 68.7-164.4-145.3 152.3 38.7 -17.5 80.6 298 113 B V E -ik 268 350B 0 51,-2.7 53,-1.6 -2,-0.3 2,-0.5 -0.997 1.4-165.5-143.7 134.1 37.1 -17.2 77.1 299 114 B D E -ik 269 351B 0 -31,-2.4 -29,-2.3 -2,-0.3 2,-0.4 -0.980 8.7-154.9-123.5 115.7 33.6 -17.2 75.9 300 115 B F E -ik 270 352B 0 51,-3.1 53,-1.7 -2,-0.5 2,-0.5 -0.753 17.3-168.9 -73.9 135.0 32.6 -17.6 72.3 301 116 B V E -ik 271 353B 1 -31,-2.1 -29,-2.2 -2,-0.4 2,-0.4 -0.981 2.9-162.2-131.0 116.6 29.2 -16.0 71.9 302 117 B Y E -ik 272 354B 11 51,-1.7 53,-2.6 -2,-0.5 2,-0.6 -0.840 23.4-117.1 -99.4 143.2 27.3 -16.5 68.7 303 118 B T + 0 0 4 -31,-2.0 102,-0.0 -2,-0.4 98,-0.0 -0.619 41.5 159.2 -77.8 113.8 24.5 -14.3 67.6 304 119 B D + 0 0 36 -2,-0.6 2,-0.4 -31,-0.1 -1,-0.1 0.061 51.6 83.3-116.2 23.2 21.2 -16.2 67.4 305 120 B V S S+ 0 0 24 1,-0.1 99,-0.0 2,-0.1 50,-0.0 -0.967 94.4 7.5-130.7 146.1 18.9 -13.1 67.6 306 121 B H S > S+ 0 0 58 -2,-0.4 4,-1.3 1,-0.1 -1,-0.1 0.633 88.8 122.7 63.8 15.9 17.7 -10.8 64.9 307 122 B V H > S+ 0 0 6 2,-0.2 4,-1.6 3,-0.1 5,-0.2 0.948 72.8 43.0 -73.5 -52.2 19.3 -13.0 62.3 308 123 B A H >> S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.947 112.8 56.4 -57.9 -44.8 16.1 -13.8 60.2 309 124 B E H 3> S+ 0 0 90 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.860 107.1 48.1 -54.1 -39.2 15.2 -10.0 60.5 310 125 B S H 3X S+ 0 0 33 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.790 108.5 52.9 -83.1 -19.7 18.5 -9.0 59.0 311 126 B Y H <<>S+ 0 0 29 -4,-1.6 5,-1.9 -3,-0.6 -2,-0.2 0.901 109.4 50.9 -69.9 -39.0 18.2 -11.5 56.2 312 127 B E H ><5S+ 0 0 90 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.886 106.0 53.3 -63.1 -42.1 14.8 -10.0 55.4 313 128 B A H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.820 103.4 59.5 -66.6 -26.2 16.2 -6.5 55.4 314 129 B L T 3<5S- 0 0 140 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.422 132.3 -91.3 -73.4 2.0 18.8 -7.8 52.8 315 130 B G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.215 81.1 137.1 108.3 -18.6 15.9 -8.8 50.5 316 131 B D < - 0 0 33 -5,-1.9 -1,-0.3 -6,-0.1 2,-0.0 -0.309 58.8-109.9 -61.7 151.3 15.1 -12.4 51.5 317 132 B S > - 0 0 57 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.335 35.2-101.8 -65.0 164.4 11.4 -13.4 51.8 318 133 B A H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.921 124.6 46.0 -53.9 -43.6 10.2 -14.0 55.4 319 134 B I H > S+ 0 0 114 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.923 111.6 49.1 -72.2 -40.3 10.3 -17.7 54.8 320 135 B E H > S+ 0 0 109 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.929 115.6 45.7 -58.1 -46.9 13.7 -17.7 53.1 321 136 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.921 111.6 51.6 -61.8 -50.3 15.1 -15.6 56.0 322 137 B R H X S+ 0 0 122 -4,-2.9 4,-1.9 -5,-0.3 -2,-0.2 0.943 115.5 41.3 -53.0 -47.2 13.4 -17.8 58.6 323 138 B R H X S+ 0 0 156 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.862 112.6 51.7 -75.4 -37.3 14.8 -21.0 57.2 324 139 B K H X S+ 0 0 70 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.869 108.5 54.7 -65.3 -34.5 18.4 -19.7 56.5 325 140 B A H X S+ 0 0 8 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.948 108.2 47.3 -66.3 -47.0 18.5 -18.4 60.1 326 141 B V H X S+ 0 0 72 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.928 117.2 44.3 -55.0 -46.6 17.7 -21.9 61.5 327 142 B K H X S+ 0 0 110 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.919 115.7 45.4 -65.8 -47.8 20.3 -23.4 59.2 328 143 B N H X S+ 0 0 28 -4,-2.9 4,-2.3 2,-0.2 -53,-0.4 0.889 115.0 46.6 -67.9 -42.0 23.1 -20.8 59.8 329 144 B I H X S+ 0 0 35 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.912 113.2 49.1 -66.8 -48.1 22.7 -20.7 63.6 330 145 B R H X S+ 0 0 155 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.923 113.4 49.1 -55.8 -42.2 22.6 -24.5 63.8 331 146 B G H X S+ 0 0 32 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.940 113.3 42.9 -67.5 -44.9 25.8 -24.6 61.6 332 147 B V H X S+ 0 0 10 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.914 112.7 54.8 -71.1 -35.4 27.8 -22.1 63.5 333 148 B R H X S+ 0 0 144 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.926 109.0 47.2 -59.9 -47.1 26.8 -23.6 66.8 334 149 B A H X S+ 0 0 48 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.909 112.0 49.5 -60.1 -48.0 28.0 -27.0 65.7 335 150 B K H X S+ 0 0 83 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.917 115.5 43.2 -59.7 -42.0 31.4 -25.7 64.4 336 151 B I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.936 112.5 52.8 -69.8 -40.7 32.0 -23.7 67.7 337 152 B T H X S+ 0 0 44 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.914 109.5 48.4 -63.5 -39.6 30.8 -26.5 69.9 338 153 B T H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.920 111.7 51.2 -64.0 -45.0 33.2 -29.0 68.2 339 154 B T H X S+ 0 0 6 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.929 111.9 45.7 -52.8 -52.0 36.0 -26.5 68.6 340 155 B V H X S+ 0 0 7 -4,-2.7 4,-2.9 2,-0.2 7,-0.2 0.913 110.9 52.4 -61.2 -42.2 35.3 -26.0 72.3 341 156 B N H < S+ 0 0 98 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.893 113.6 44.9 -67.2 -32.1 35.0 -29.8 72.9 342 157 B E H < S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.922 120.4 37.9 -68.8 -49.4 38.4 -30.4 71.2 343 158 B L H < S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.763 136.0 15.0 -82.0 -24.1 40.3 -27.5 72.9 344 159 B D >< + 0 0 19 -4,-2.9 3,-1.2 -5,-0.2 -1,-0.3 -0.554 61.7 170.8-154.3 76.0 38.7 -27.8 76.3 345 160 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.866 84.8 52.4 -61.5 -39.5 36.8 -31.1 77.0 346 161 B A T 3 S- 0 0 92 1,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.677 103.0-133.0 -67.1 -19.3 36.3 -30.4 80.7 347 162 B G < + 0 0 37 -3,-1.2 -1,-0.1 -7,-0.2 -6,-0.1 0.872 59.5 142.9 68.7 30.6 34.8 -26.9 79.8 348 163 B A S S- 0 0 77 1,-0.1 3,-0.1 -51,-0.0 -1,-0.1 0.830 77.0 -2.0 -77.1 -32.2 37.1 -25.5 82.4 349 164 B R S S+ 0 0 101 1,-0.3 -51,-2.7 -52,-0.1 2,-0.4 0.623 121.3 62.0-134.4 -21.0 38.1 -22.2 80.7 350 165 B L E +k 298 0B 1 -53,-0.2 2,-0.3 -10,-0.1 -1,-0.3 -0.913 56.7 164.8-120.6 132.5 36.5 -22.0 77.3 351 166 B C E -k 299 0B 39 -53,-1.6 -51,-3.1 -2,-0.4 2,-0.4 -0.953 23.2-146.8-140.1 163.3 32.7 -22.0 76.6 352 167 B V E +k 300 0B 36 -2,-0.3 -51,-0.2 -53,-0.2 -53,-0.0 -0.978 23.0 165.1-128.8 139.8 30.2 -21.2 73.9 353 168 B R E -k 301 0B 45 -53,-1.7 -51,-1.7 -2,-0.4 2,-0.2 -0.983 36.6-108.1-148.3 157.4 26.8 -19.8 74.3 354 169 B P E > -k 302 0B 22 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.516 30.5-120.9 -76.6 148.2 24.1 -18.2 72.2 355 170 B X G > S+ 0 0 8 -53,-2.6 3,-2.1 1,-0.2 4,-0.4 0.892 111.2 65.8 -55.2 -37.8 23.5 -14.4 72.6 356 171 B S G > S+ 0 0 36 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.768 84.7 72.3 -59.9 -26.4 19.9 -15.2 73.6 357 172 B E G X S+ 0 0 92 -3,-1.2 3,-1.2 1,-0.3 -1,-0.3 0.813 89.1 61.3 -58.2 -25.8 21.1 -17.0 76.8 358 173 B F G X S+ 0 0 5 -3,-2.1 3,-2.7 -4,-0.4 -1,-0.3 0.705 80.7 84.0 -77.4 -15.9 21.9 -13.6 78.3 359 174 B Q G < S+ 0 0 94 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.770 90.0 51.3 -56.2 -23.4 18.3 -12.6 78.0 360 175 B S G < S+ 0 0 97 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.369 89.1 99.4 -92.5 7.8 17.8 -14.4 81.3 361 176 B N <> - 0 0 45 -3,-2.7 4,-2.1 1,-0.1 5,-0.1 -0.811 66.6-145.2 -99.1 131.1 20.7 -12.6 83.0 362 177 B E H > S+ 0 0 129 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.916 98.0 48.6 -63.4 -48.6 19.7 -9.6 85.3 363 178 B A H > S+ 0 0 22 51,-0.2 4,-2.6 1,-0.2 5,-0.3 0.935 112.3 51.8 -57.4 -41.8 22.7 -7.3 84.6 364 179 B Y H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.948 110.0 48.7 -57.6 -48.0 22.2 -7.9 80.8 365 180 B R H X S+ 0 0 127 -4,-2.1 4,-3.0 -7,-0.2 5,-0.2 0.942 112.6 48.3 -61.5 -40.8 18.5 -7.0 81.1 366 181 B E H X S+ 0 0 116 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.906 112.8 46.5 -64.8 -43.2 19.3 -3.8 83.0 367 182 B L H X S+ 0 0 35 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.883 115.2 47.7 -67.2 -39.9 22.0 -2.7 80.6 368 183 B H H X S+ 0 0 49 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.939 112.2 47.7 -69.4 -43.3 19.7 -3.4 77.7 369 184 B A H X S+ 0 0 51 -4,-3.0 4,-3.6 1,-0.2 -2,-0.2 0.936 112.5 50.7 -61.1 -46.6 16.6 -1.5 79.3 370 185 B D H X S+ 0 0 64 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.877 109.4 50.7 -60.1 -36.3 18.9 1.5 80.0 371 186 B L H X S+ 0 0 2 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.959 114.1 42.9 -70.4 -44.0 20.2 1.5 76.5 372 187 B L H X S+ 0 0 73 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.975 112.8 54.4 -61.0 -51.1 16.6 1.5 75.1 373 188 B T H X S+ 0 0 67 -4,-3.6 4,-2.6 1,-0.2 -2,-0.2 0.902 111.0 45.3 -45.4 -52.1 15.5 4.1 77.7 374 189 B R H X S+ 0 0 76 -4,-2.5 4,-1.1 1,-0.2 8,-0.3 0.890 109.3 55.0 -63.0 -41.0 18.3 6.4 76.6 375 190 B L H < S+ 0 0 24 -4,-2.1 7,-0.3 -5,-0.2 -1,-0.2 0.919 116.5 36.3 -62.6 -43.3 17.6 6.0 72.9 376 191 B K H < S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.963 120.2 45.4 -69.5 -54.4 13.9 7.0 73.3 377 192 B D H < S+ 0 0 115 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 0.464 110.0 58.1 -69.4 -6.2 14.2 9.7 76.0 378 193 B D X - 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