==== 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 HYDROLASE 15-DEC-05 2FEA . COMPND 2 MOLECULE: 2-HYDROXY-3-KETO-5-METHYLTHIOPENTENYL-1-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 449 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21356.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 0 2 0 1 5 9 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 5 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A T 0 0 109 0, 0.0 2,-0.6 0, 0.0 217,-0.1 0.000 360.0 360.0 360.0 166.3 29.8 -7.8 58.0 2 4 A R - 0 0 72 215,-0.3 219,-0.2 159,-0.1 159,-0.2 -0.913 360.0-132.7-110.8 119.4 33.0 -7.6 56.1 3 5 A K - 0 0 78 -2,-0.6 159,-2.4 1,-0.1 215,-0.1 -0.497 25.8-115.9 -72.6 131.5 34.5 -4.2 55.5 4 6 A P E -a 162 0A 0 0, 0.0 2,-0.4 0, 0.0 159,-0.2 -0.400 27.6-168.8 -66.4 145.7 35.6 -3.5 51.9 5 7 A F E -a 163 0A 2 157,-2.5 159,-3.0 86,-0.1 2,-0.5 -0.937 7.9-163.3-140.0 114.6 39.3 -3.0 51.2 6 8 A I E +ab 164 93A 0 86,-2.6 88,-1.8 -2,-0.4 2,-0.4 -0.850 12.5 179.4-112.9 123.8 40.3 -1.7 47.8 7 9 A I E -ab 165 94A 6 157,-2.8 159,-2.0 -2,-0.5 2,-0.4 -0.961 10.3-171.3-120.3 144.5 43.7 -1.7 46.1 8 10 A C E -ab 166 95A 2 86,-2.3 88,-2.0 -2,-0.4 159,-0.2 -0.996 18.0-132.4-139.6 131.5 44.1 -0.3 42.6 9 11 A D - 0 0 7 157,-2.5 5,-0.3 -2,-0.4 88,-0.2 -0.339 15.5-151.6 -74.4 167.6 47.1 -0.3 40.2 10 12 A F >>> + 0 0 0 86,-0.2 3,-2.3 3,-0.2 4,-1.9 0.797 68.5 63.6-104.3 -79.1 48.1 2.9 38.5 11 13 A D T 345S+ 0 0 13 1,-0.3 7,-0.3 2,-0.2 157,-0.2 -0.279 124.3 1.7 -53.1 124.7 49.7 2.6 35.0 12 14 A G T 345S+ 0 0 4 5,-1.8 -1,-0.3 1,-0.2 6,-0.1 0.361 133.8 58.4 82.1 -9.6 47.2 1.1 32.6 13 15 A T T <45S+ 0 0 0 -3,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.674 120.2 18.8-114.5 -64.4 44.5 0.9 35.3 14 16 A I T <5S+ 0 0 0 -4,-1.9 62,-3.5 -5,-0.3 2,-0.3 0.891 133.6 47.5 -75.9 -39.9 44.0 4.5 36.5 15 17 A T B - 0 0 60 -7,-0.3 4,-2.1 -2,-0.2 5,-0.2 -0.788 31.4-163.3 -87.4 106.5 51.5 2.2 30.6 19 21 A N H > S+ 0 0 0 -2,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.804 86.9 56.3 -66.5 -29.3 53.6 5.3 31.4 20 22 A I H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.965 109.7 45.8 -66.6 -48.8 56.8 3.3 31.9 21 23 A I H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.899 113.1 49.4 -58.6 -45.4 56.5 1.9 28.4 22 24 A N H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.887 108.9 52.6 -67.2 -40.1 55.6 5.2 26.8 23 25 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.968 112.3 46.3 -54.1 -50.3 58.6 6.9 28.5 24 26 A X H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.927 110.7 50.5 -63.3 -45.1 60.8 4.1 27.1 25 27 A K H < S+ 0 0 121 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.868 118.2 41.9 -58.6 -32.1 59.4 4.3 23.5 26 28 A T H < S+ 0 0 71 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.864 134.1 9.7 -86.0 -38.5 59.9 8.1 23.6 27 29 A F H < S+ 0 0 44 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.634 102.5 87.6-120.5 -19.5 63.3 8.4 25.2 28 30 A A S < S- 0 0 16 -4,-2.1 29,-0.1 -5,-0.4 26,-0.1 -0.552 73.3-112.6 -91.3 151.0 65.1 5.0 25.6 29 31 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.428 46.0 -93.1 -73.3 161.4 67.4 3.3 23.0 30 32 A P T >> S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.648 115.7 81.2 -51.4 -25.1 66.0 -0.0 21.5 31 33 A E H >> S+ 0 0 116 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.736 74.1 75.6 -52.3 -26.5 67.7 -2.1 24.2 32 34 A W H <> S+ 0 0 22 -3,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.864 88.5 60.0 -55.4 -34.1 64.8 -1.3 26.6 33 35 A X H <> S+ 0 0 89 -3,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.859 101.1 52.3 -65.5 -33.9 62.7 -3.8 24.6 34 36 A A H S+ 0 0 9 -4,-1.8 6,-2.2 2,-0.2 5,-1.8 0.829 109.2 47.4 -65.9 -34.6 63.3 -10.4 29.9 39 41 A V H ><5S+ 0 0 24 -4,-1.6 3,-0.8 -3,-0.4 -2,-0.2 0.922 112.8 50.2 -70.8 -42.1 60.7 -9.3 32.6 40 42 A L H 3<5S+ 0 0 111 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.852 113.9 43.3 -60.1 -42.2 57.9 -10.8 30.5 41 43 A S T 3<5S- 0 0 72 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.484 114.7-117.1 -81.0 -8.6 59.8 -14.1 30.1 42 44 A K T < 5S+ 0 0 187 -3,-0.8 -3,-0.2 -4,-0.4 -4,-0.1 0.612 83.2 122.0 70.9 23.5 60.7 -14.0 33.9 43 45 A T S - 0 0 36 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.315 30.5-110.3 -66.2 159.5 62.8 -9.6 38.0 46 48 A I H > S+ 0 0 48 97,-0.4 4,-2.9 98,-0.2 5,-0.5 0.936 121.0 50.7 -53.3 -49.9 60.5 -6.5 37.8 47 49 A K H > S+ 0 0 56 97,-2.3 4,-2.0 1,-0.2 5,-0.2 0.941 114.5 42.7 -56.5 -50.5 62.9 -4.7 40.1 48 50 A E H > S+ 0 0 94 96,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.929 118.3 44.2 -64.5 -45.5 66.0 -5.6 37.9 49 51 A G H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.929 117.1 42.9 -66.6 -49.5 64.2 -4.9 34.5 50 52 A V H X S+ 0 0 17 -4,-2.9 4,-2.5 -5,-0.2 5,-0.3 0.893 114.3 52.4 -65.8 -38.7 62.5 -1.7 35.4 51 53 A G H X S+ 0 0 22 -4,-2.0 4,-1.8 -5,-0.5 -1,-0.2 0.929 112.0 45.2 -61.9 -46.9 65.7 -0.5 37.2 52 54 A R H < S+ 0 0 118 -4,-2.2 4,-0.2 -5,-0.2 -1,-0.2 0.808 110.2 55.3 -66.3 -31.8 67.8 -1.2 34.1 53 55 A X H >< S+ 0 0 7 -4,-2.1 3,-1.5 1,-0.2 4,-0.2 0.958 111.9 41.2 -67.0 -51.4 65.2 0.4 31.8 54 56 A F H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 75,-0.6 0.823 106.4 66.5 -63.7 -30.0 65.3 3.7 33.7 55 57 A G T 3< S+ 0 0 31 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.535 88.0 67.4 -70.1 -8.3 69.0 3.4 34.0 56 58 A L T < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.2 -2,-0.2 0.615 89.8 82.6 -74.0 -18.7 69.3 3.8 30.2 57 59 A L S < S- 0 0 0 -3,-1.8 72,-2.7 -4,-0.2 -29,-0.1 -0.803 81.4-125.1-102.1 124.7 68.1 7.4 30.6 58 60 A P B > -G 128 0C 47 0, 0.0 3,-1.9 0, 0.0 70,-0.3 -0.380 18.6-129.7 -57.6 137.1 70.3 10.3 31.5 59 61 A S G > S+ 0 0 10 68,-2.5 3,-2.2 67,-0.3 69,-0.2 0.742 102.9 79.5 -61.5 -20.9 69.1 12.3 34.5 60 62 A S G 3 S+ 0 0 109 67,-0.5 3,-0.3 1,-0.3 -1,-0.3 0.649 83.0 66.1 -62.5 -12.5 69.5 15.4 32.4 61 63 A L G <> + 0 0 28 -3,-1.9 4,-2.8 1,-0.2 5,-0.3 0.431 66.9 113.4 -85.2 -0.4 66.1 14.3 30.8 62 64 A K H <> S+ 0 0 46 -3,-2.2 4,-2.7 1,-0.2 5,-0.2 0.868 80.0 38.6 -38.8 -58.0 64.2 14.9 34.1 63 65 A E H > S+ 0 0 138 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.864 115.8 50.8 -71.0 -39.0 62.0 17.8 32.9 64 66 A E H > S+ 0 0 120 -4,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.891 114.5 45.1 -61.9 -41.0 61.4 16.5 29.3 65 67 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.959 114.9 46.9 -67.4 -50.9 60.3 13.1 30.7 66 68 A T H X S+ 0 0 25 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.918 114.5 47.8 -55.6 -45.9 58.1 14.7 33.4 67 69 A S H X S+ 0 0 78 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.902 111.4 51.1 -60.8 -47.3 56.6 17.1 30.8 68 70 A F H X S+ 0 0 48 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.929 112.1 45.5 -55.4 -50.7 56.0 14.2 28.4 69 71 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.908 109.8 51.7 -67.3 -42.4 54.2 12.0 30.9 70 72 A L H < S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.787 117.8 39.4 -66.9 -27.1 51.9 14.7 32.4 71 73 A E H < S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.721 120.2 46.4 -91.4 -24.2 50.7 15.7 28.9 72 74 A D H < S+ 0 0 51 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.856 94.2 86.4 -81.2 -41.4 50.6 12.1 27.6 73 75 A A < - 0 0 8 -4,-3.2 2,-0.4 -5,-0.2 -55,-0.0 -0.418 55.6-170.1 -74.3 136.9 48.8 10.5 30.5 74 76 A K - 0 0 123 -2,-0.1 -58,-2.2 -57,-0.1 2,-0.3 -0.996 19.9-127.7-127.6 134.8 45.0 10.4 30.7 75 77 A I B -F 15 0B 51 -2,-0.4 -60,-0.3 -60,-0.2 3,-0.1 -0.621 32.8-106.5 -84.8 139.4 42.9 9.3 33.7 76 78 A R > - 0 0 10 -62,-3.5 3,-1.6 -2,-0.3 -1,-0.1 -0.368 45.9 -91.7 -70.1 139.4 40.3 6.7 33.0 77 79 A E T 3 S+ 0 0 125 1,-0.2 128,-2.4 126,-0.1 129,-0.6 -0.155 107.7 21.6 -53.7 135.7 36.7 8.0 33.1 78 80 A G T 3> S+ 0 0 3 127,-0.2 4,-1.9 126,-0.2 -1,-0.2 0.367 83.9 119.0 91.6 -4.6 34.9 7.9 36.4 79 81 A F H <> S+ 0 0 1 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 0.941 74.0 47.7 -65.7 -48.0 38.0 7.7 38.5 80 82 A R H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 113.1 48.8 -55.2 -45.8 37.4 11.0 40.5 81 83 A E H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.839 109.1 54.6 -65.4 -33.0 33.8 10.0 41.2 82 84 A F H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.906 108.2 46.8 -65.7 -44.9 35.0 6.6 42.4 83 85 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 109.7 55.3 -67.7 -34.3 37.4 8.1 44.9 84 86 A A H X S+ 0 0 56 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.894 107.9 49.4 -61.5 -40.9 34.6 10.4 46.1 85 87 A F H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.889 109.8 51.2 -64.7 -41.1 32.4 7.3 46.7 86 88 A I H X>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 4,-0.6 0.936 114.8 43.2 -56.2 -49.9 35.3 5.7 48.6 87 89 A N H ><5S+ 0 0 68 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.905 108.5 57.6 -65.3 -45.1 35.7 8.8 50.7 88 90 A E H 3<5S+ 0 0 131 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.865 118.3 33.4 -53.6 -38.9 31.9 9.2 51.2 89 91 A H H 3<5S- 0 0 49 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.387 105.9-122.1-102.7 2.5 31.8 5.7 52.7 90 92 A E T <<5 + 0 0 162 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.869 49.7 168.1 54.5 43.5 35.2 5.7 54.4 91 93 A I < - 0 0 1 -5,-2.4 -1,-0.2 -6,-0.2 -86,-0.1 -0.705 42.8-109.7 -83.4 128.4 36.3 2.6 52.5 92 94 A P + 0 0 23 0, 0.0 -86,-2.6 0, 0.0 2,-0.3 -0.403 46.4 178.4 -57.1 133.0 40.0 1.8 52.8 93 95 A F E +b 6 0A 1 -88,-0.2 2,-0.3 -2,-0.1 -86,-0.2 -0.996 10.7 176.6-146.0 132.9 41.6 2.6 49.4 94 96 A Y E -b 7 0A 45 -88,-1.8 -86,-2.3 -2,-0.3 2,-0.6 -0.998 24.0-144.0-142.0 134.4 45.3 2.4 48.2 95 97 A V E -bc 8 117A 0 21,-2.9 23,-3.2 -2,-0.3 2,-0.5 -0.927 22.9-173.2 -94.1 119.8 46.9 2.9 44.9 96 98 A I E + c 0 118A 2 -88,-2.0 2,-0.3 -2,-0.6 -86,-0.2 -0.974 16.9 162.4-124.5 116.7 49.8 0.3 44.7 97 99 A S E - 0 0 0 21,-2.9 23,-0.3 -2,-0.5 51,-0.1 -0.984 50.3-142.6-145.8 142.7 52.0 0.9 41.7 98 100 A G E S+ 0 0 27 -2,-0.3 21,-0.1 21,-0.2 -1,-0.1 0.434 77.3 104.1 -82.8 0.2 55.4 0.0 40.1 99 101 A G E S- 0 0 0 1,-0.1 21,-2.4 2,-0.0 2,-0.4 0.015 77.4 -96.0 -75.4-178.5 55.5 3.6 38.6 100 102 A X E >> - c 0 120A 0 19,-0.2 4,-2.5 1,-0.1 3,-2.2 -0.845 17.9-129.6-111.0 137.9 57.5 6.5 39.8 101 103 A D H 3> S+ 0 0 28 19,-2.4 4,-2.0 -2,-0.4 20,-0.1 0.772 100.1 75.6 -56.8 -25.7 56.3 9.2 42.1 102 104 A F H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 19,-0.1 0.747 117.1 18.6 -65.0 -18.6 57.5 12.0 39.8 103 105 A F H <> S+ 0 0 0 -3,-2.2 4,-1.9 3,-0.1 -2,-0.2 0.690 122.6 57.2-114.4 -32.5 54.5 11.2 37.6 104 106 A V H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -3,-0.2 0.940 107.6 49.9 -63.5 -44.4 52.1 9.3 40.0 105 107 A Y H >X S+ 0 0 77 -4,-2.0 4,-1.1 -5,-0.2 3,-0.6 0.969 112.6 42.9 -64.4 -55.7 52.0 12.1 42.5 106 108 A P H >4 S+ 0 0 55 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.918 113.6 53.0 -59.4 -36.9 51.2 15.0 40.1 107 109 A L H 3< S+ 0 0 27 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.813 116.0 39.8 -67.2 -26.5 48.6 12.9 38.2 108 110 A L H XX S+ 0 0 0 -4,-1.7 3,-2.6 -3,-0.6 4,-2.4 0.474 84.6 132.2 -98.9 -0.3 46.8 12.0 41.5 109 111 A E T << S+ 0 0 153 -4,-1.1 4,-0.1 -3,-0.8 -4,-0.0 -0.223 77.7 13.2 -59.3 132.5 47.1 15.5 43.1 110 112 A G T 34 S+ 0 0 78 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.505 129.1 58.6 78.0 4.5 43.8 16.7 44.5 111 113 A I T <4 S+ 0 0 16 -3,-2.6 2,-0.5 1,-0.3 -2,-0.2 0.616 105.2 28.8-124.1 -57.4 42.4 13.2 44.2 112 114 A V S < S- 0 0 9 -4,-2.4 -1,-0.3 -7,-0.2 -2,-0.1 -0.966 75.5-129.3-118.0 127.3 44.5 10.6 46.2 113 115 A E > - 0 0 90 -2,-0.5 3,-1.6 -3,-0.1 4,-0.1 -0.299 25.2-114.6 -66.7 152.6 46.5 11.5 49.4 114 116 A K G > S+ 0 0 140 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.778 112.3 63.8 -67.1 -27.4 50.1 10.5 49.6 115 117 A D G 3 S+ 0 0 124 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.622 104.9 50.1 -71.5 -11.4 49.5 8.0 52.5 116 118 A R G < S+ 0 0 42 -3,-1.6 -21,-2.9 -22,-0.1 2,-0.6 0.350 94.6 87.2 -97.8 -1.3 47.3 6.0 50.1 117 119 A I E < -c 95 0A 10 -3,-1.5 2,-0.7 -23,-0.2 -21,-0.2 -0.934 51.3-178.6-108.0 114.6 50.0 6.0 47.3 118 120 A Y E +c 96 0A 49 -23,-3.2 -21,-2.9 -2,-0.6 2,-0.3 -0.927 31.4 129.4-110.0 99.9 52.5 3.1 47.4 119 121 A C E - 0 0 7 -2,-0.7 -19,-0.2 -23,-0.2 -21,-0.2 -0.869 53.7 -89.9-142.8 179.6 54.9 3.6 44.5 120 122 A N E -c 100 0A 2 -21,-2.4 -19,-2.4 -23,-0.3 2,-0.5 -0.420 32.9-124.1 -92.0 170.0 58.6 3.7 43.7 121 123 A H E -H 132 0D 70 11,-2.2 11,-2.9 -21,-0.2 2,-0.5 -0.959 11.5-155.4-120.3 123.3 61.0 6.7 43.6 122 124 A A E -H 131 0D 3 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.859 12.9-157.2 -95.9 127.9 63.1 7.9 40.7 123 125 A S E -H 130 0D 12 7,-3.9 7,-2.4 -2,-0.5 3,-0.2 -0.798 14.7-171.1-102.6 142.7 66.2 9.9 41.6 124 126 A F + 0 0 40 -2,-0.3 -62,-0.1 5,-0.2 5,-0.1 0.122 60.6 101.5-118.9 18.0 68.0 12.3 39.2 125 127 A D S S+ 0 0 149 5,-0.1 2,-0.2 3,-0.1 -1,-0.1 0.654 75.1 59.7 -83.8 -17.4 71.1 13.1 41.2 126 128 A N S S- 0 0 98 2,-0.3 -67,-0.3 -3,-0.2 4,-0.1 -0.504 101.2 -95.6-101.2 177.0 73.4 10.7 39.3 127 129 A D S S+ 0 0 138 -2,-0.2 -68,-2.5 -69,-0.1 -67,-0.5 0.894 112.9 33.6 -56.6 -42.2 74.3 10.7 35.6 128 130 A Y B S-G 58 0C 123 -70,-0.3 -2,-0.3 -69,-0.2 -73,-0.1 -0.863 106.5 -83.8-117.6 150.1 71.6 8.2 34.8 129 131 A I - 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0 0 18 -3,-1.0 -15,-0.2 -4,-0.5 19,-0.2 -0.508 67.4-148.6 -84.5 153.8 41.4 -10.6 46.6 180 182 A D S S+ 0 0 51 -17,-2.4 2,-0.3 1,-0.3 -16,-0.2 0.599 95.3 17.5 -83.0 -24.1 37.9 -11.7 47.1 181 183 A L E S-d 164 0A 4 -18,-1.6 -16,-2.4 2,-0.0 2,-0.5 -0.958 70.5-160.9-147.2 136.3 37.0 -9.9 43.9 182 184 A C E -de 165 199A 0 16,-1.7 18,-2.2 -2,-0.3 2,-0.7 -0.973 9.1-154.3-118.5 125.8 39.3 -8.7 41.1 183 185 A F E -de 166 200A 0 -18,-3.1 -16,-2.8 -2,-0.5 2,-0.4 -0.905 35.3-177.7 -92.1 121.2 38.3 -6.0 38.5 184 186 A A E +d 167 0A 0 16,-2.3 18,-0.5 -2,-0.7 2,-0.3 -0.922 24.6 177.3-133.5 140.6 40.5 -6.9 35.6 185 187 A R >> - 0 0 22 -18,-1.1 4,-1.1 -2,-0.4 3,-1.0 -0.886 58.4 -4.7-123.9 167.9 41.5 -5.8 32.1 186 188 A D H >> S- 0 0 29 -2,-0.3 4,-1.5 1,-0.2 3,-0.6 -0.136 127.7 -8.8 53.8-139.8 44.0 -7.1 29.5 187 189 A Y H 3> S+ 0 0 64 -19,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.791 133.6 60.1 -70.6 -24.5 46.3 -9.9 30.5 188 190 A L H <> S+ 0 0 0 -20,-1.4 4,-2.7 -3,-1.0 -1,-0.3 0.892 103.7 52.6 -62.0 -38.5 45.2 -9.8 34.2 189 191 A L H S+ 0 0 1 -4,-2.7 5,-2.4 1,-0.2 4,-0.3 0.891 114.1 45.0 -61.7 -41.2 41.7 -14.4 36.4 193 195 A R H ><5S+ 0 0 45 -4,-2.1 3,-0.9 3,-0.2 -2,-0.2 0.930 114.7 49.5 -66.2 -43.1 39.7 -16.4 33.9 194 196 A E H 3<5S+ 0 0 78 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.929 118.5 36.6 -60.3 -48.3 42.5 -19.0 33.6 195 197 A Q T 3<5S- 0 0 71 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.249 110.4-118.0 -93.5 11.4 43.0 -19.5 37.3 196 198 A N T < 5 + 0 0 139 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.2 0.879 51.3 166.9 52.3 46.9 39.3 -19.1 38.2 197 199 A L < - 0 0 29 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.796 48.7-102.2 -87.5 132.0 39.7 -16.1 40.4 198 200 A N + 0 0 95 -2,-0.4 -16,-1.7 -19,-0.2 2,-0.3 -0.343 67.4 150.2 -52.9 120.0 36.4 -14.3 41.2 199 201 A H E -e 182 0A 33 -18,-0.2 -16,-0.2 -2,-0.1 -1,-0.0 -0.953 41.3-151.9-153.0 169.6 36.4 -11.3 38.8 200 202 A L E -e 183 0A 53 -18,-2.2 -16,-2.3 -2,-0.3 2,-0.1 -0.982 23.4-128.5-145.3 140.7 34.7 -8.8 36.7 201 203 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -16,-0.2 -0.317 28.4-160.6 -76.1 169.3 35.9 -7.0 33.5 202 204 A Y - 0 0 6 -18,-0.5 3,-0.1 1,-0.1 -2,-0.0 -0.968 29.9-170.0-154.2 142.3 35.6 -3.2 33.4 203 205 A Q S S- 0 0 66 1,-0.3 2,-0.3 -2,-0.3 -126,-0.1 0.781 80.2 -18.0 -90.4 -39.1 35.6 -0.4 30.8 204 206 A D S > S- 0 0 34 -128,-0.1 4,-1.5 -126,-0.1 -1,-0.3 -0.887 72.0 -89.1-157.7 179.7 35.9 2.5 33.3 205 207 A F H > S+ 0 0 0 -128,-2.4 4,-2.2 -2,-0.3 -127,-0.2 0.614 116.4 65.3 -82.5 -15.6 35.5 3.4 37.0 206 208 A Y H > S+ 0 0 107 -129,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.931 107.5 44.0 -61.0 -49.1 31.8 4.4 36.6 207 209 A E H > S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 112.8 52.5 -59.9 -42.8 31.2 0.7 35.9 208 210 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.918 110.3 46.9 -60.1 -47.3 33.6 -0.3 38.8 209 211 A R H X S+ 0 0 70 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.941 112.4 49.8 -61.0 -50.5 31.7 1.9 41.3 210 212 A K H X S+ 0 0 62 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.933 114.6 44.4 -53.5 -50.0 28.3 0.6 40.2 211 213 A E H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.8 52.0 -64.7 -38.7 29.4 -3.0 40.4 212 214 A I H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 6,-0.2 0.930 106.5 54.3 -64.7 -43.4 31.1 -2.6 43.7 213 215 A E H 3< S+ 0 0 51 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.857 109.9 47.5 -58.1 -38.9 28.0 -1.0 45.2 214 216 A N T 3< S+ 0 0 111 -4,-1.4 2,-0.4 -5,-0.2 -1,-0.3 0.240 79.6 117.8 -94.7 12.3 25.9 -4.0 44.2 215 217 A V S <> S- 0 0 18 -3,-1.7 4,-2.8 1,-0.1 3,-0.4 -0.700 70.7-129.5 -70.3 130.3 28.3 -6.6 45.5 216 218 A K H > S+ 0 0 70 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.916 105.1 47.6 -47.9 -53.9 26.3 -8.5 48.2 217 219 A E H > S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 -215,-0.3 0.829 112.7 49.2 -64.5 -31.9 29.0 -8.2 50.9 218 220 A V H > S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.2 -1,-0.2 0.939 110.6 50.3 -71.6 -48.2 29.6 -4.5 50.2 219 221 A Q H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.924 109.6 51.3 -53.5 -49.6 25.8 -3.7 50.4 220 222 A E H < S+ 0 0 88 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.905 110.9 48.6 -52.2 -47.2 25.5 -5.6 53.7 221 223 A W H >< S+ 0 0 52 -4,-1.6 3,-1.1 -219,-0.2 -1,-0.2 0.906 112.8 47.6 -61.7 -44.5 28.4 -3.5 55.1 222 224 A L H 3< S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 99.1 66.8 -63.4 -41.2 26.8 -0.2 53.8 223 225 A Q T 3< S+ 0 0 135 -4,-2.6 2,-0.9 1,-0.2 -1,-0.2 0.402 77.7 86.5 -73.8 3.7 23.4 -1.0 55.2 224 226 A N < 0 0 120 -3,-1.1 -1,-0.2 -4,-0.2 -4,-0.0 -0.679 360.0 360.0 -90.5 72.1 24.8 -0.7 58.7 225 227 A K 0 0 139 -2,-0.9 -2,-0.2 0, 0.0 -3,-0.1 -0.182 360.0 360.0-171.5 360.0 24.2 3.1 58.7 226 !* 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 0.0 227 3 B T 0 0 98 0, 0.0 2,-0.1 0, 0.0 216,-0.0 0.000 360.0 360.0 360.0 168.2 50.7 -21.9 -1.5 228 4 B R - 0 0 106 159,-0.1 159,-0.3 1,-0.1 219,-0.1 -0.368 360.0-127.4 -71.1 140.5 47.8 -20.8 0.6 229 5 B K E -i 387 0E 88 157,-3.1 159,-3.2 -2,-0.1 215,-0.1 -0.791 23.9-119.1 -88.1 123.8 46.7 -17.2 0.3 230 6 B P E -i 388 0E 0 0, 0.0 2,-0.4 0, 0.0 159,-0.2 -0.405 32.9-172.6 -58.4 136.6 46.4 -15.4 3.7 231 7 B F E -i 389 0E 16 157,-2.5 159,-3.0 86,-0.2 2,-0.4 -0.954 6.2-155.3-140.0 113.4 42.8 -14.3 4.2 232 8 B I E +ij 390 319E 0 86,-3.1 88,-2.5 -2,-0.4 2,-0.4 -0.793 14.9 178.8-106.3 131.0 41.9 -12.0 7.1 233 9 B I E -ij 391 320E 2 157,-2.4 159,-2.3 -2,-0.4 2,-0.4 -0.980 14.2-173.3-124.1 139.6 38.5 -11.5 8.9 234 10 B C E -ij 392 321E 2 86,-2.2 88,-2.4 -2,-0.4 159,-0.2 -0.998 20.8-130.1-143.3 129.5 38.3 -9.2 11.9 235 11 B D > - 0 0 13 157,-2.4 5,-0.6 -2,-0.4 88,-0.2 -0.350 17.6-150.0 -71.3 160.7 35.7 -8.3 14.5 236 12 B F I >>> + 0 0 0 86,-0.5 3,-2.0 3,-0.2 5,-1.8 0.816 69.6 56.6 -98.1 -85.8 35.0 -4.6 15.1 237 13 B D I 345S+ 0 0 26 1,-0.3 157,-0.2 3,-0.2 7,-0.2 -0.241 123.4 6.8 -55.3 128.2 33.8 -3.6 18.6 238 14 B G I 345S+ 0 0 13 5,-0.8 -1,-0.3 1,-0.2 6,-0.1 0.235 134.3 54.3 84.2 -16.1 36.3 -4.7 21.3 239 15 B T I <45S+ 0 0 0 -3,-2.0 -2,-0.2 4,-0.2 -3,-0.2 0.738 123.9 16.2-108.2 -72.9 38.8 -5.8 18.6 240 16 B I I < - 0 0 62 -2,-0.3 4,-2.1 -7,-0.2 5,-0.2 -0.930 29.2-168.7-103.7 102.5 31.2 -1.7 23.0 245 21 B N H > S+ 0 0 0 -2,-0.7 4,-2.1 2,-0.2 5,-0.2 0.810 83.0 56.7 -64.1 -30.1 29.4 1.0 20.9 246 22 B I H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.954 110.7 43.2 -68.0 -48.1 26.0 -0.6 21.3 247 23 B I H > S+ 0 0 20 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.895 112.8 52.4 -63.4 -42.7 26.2 -0.5 25.1 248 24 B N H X S+ 0 0 21 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.887 108.9 50.2 -63.1 -38.7 27.6 3.0 25.2 249 25 B I H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.4 0.946 112.8 47.2 -59.2 -53.0 24.8 4.2 23.0 250 26 B X H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.938 110.2 50.9 -57.1 -49.5 22.2 2.6 25.3 251 27 B K H < S+ 0 0 100 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 118.6 40.4 -61.5 -25.2 23.8 3.9 28.5 252 28 B T H < S+ 0 0 73 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.869 133.9 12.2 -88.7 -37.4 23.7 7.4 27.0 253 29 B F H < S+ 0 0 40 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.654 102.1 84.9-118.0 -21.9 20.3 7.5 25.2 254 30 B A S < S- 0 0 17 -4,-1.9 29,-0.1 -5,-0.4 26,-0.0 -0.556 74.9-108.5 -89.8 153.4 18.1 4.6 26.2 255 31 B P > - 0 0 64 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.361 47.2 -95.1 -68.1 159.6 15.7 4.2 29.1 256 32 B P T > S+ 0 0 94 0, 0.0 3,-1.9 0, 0.0 4,-0.5 0.656 113.9 83.6 -56.0 -19.4 16.9 1.7 31.8 257 33 B E T >> S+ 0 0 119 1,-0.3 4,-1.4 2,-0.2 3,-0.6 0.716 72.2 78.3 -55.3 -23.9 14.9 -1.1 30.2 258 34 B W H <> S+ 0 0 27 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.848 86.7 60.1 -53.8 -33.3 17.9 -1.6 27.9 259 35 B X H <> S+ 0 0 96 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.865 100.6 52.1 -66.9 -36.3 19.6 -3.4 30.7 260 36 B A H <> S+ 0 0 53 -3,-0.6 4,-1.8 -4,-0.5 -1,-0.2 0.869 112.3 47.0 -65.5 -35.2 16.9 -6.1 31.0 261 37 B L H X S+ 0 0 11 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.917 112.5 48.7 -72.1 -45.8 17.3 -6.7 27.2 262 38 B K H >X S+ 0 0 55 -4,-2.5 4,-2.4 1,-0.2 3,-0.6 0.957 111.8 49.8 -57.8 -48.2 21.0 -6.9 27.4 263 39 B D H 3X S+ 0 0 98 -4,-2.7 4,-2.7 1,-0.3 6,-0.2 0.876 107.4 54.0 -60.4 -36.7 20.8 -9.3 30.4 264 40 B G H 3<>S+ 0 0 10 -4,-1.8 6,-2.5 2,-0.2 5,-1.5 0.801 107.2 51.9 -67.2 -28.4 18.4 -11.5 28.4 265 41 B V H X<5S+ 0 0 22 -4,-1.5 3,-1.9 -3,-0.6 -2,-0.2 0.983 112.5 44.4 -67.9 -54.0 20.9 -11.6 25.6 266 42 B L H 3<5S+ 0 0 105 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.859 113.8 49.2 -55.2 -41.0 23.7 -12.7 28.1 267 43 B S T 3<5S- 0 0 71 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.522 112.2-124.5 -76.3 -6.5 21.4 -15.2 29.8 268 44 B K T < 5S+ 0 0 180 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.688 79.9 120.9 65.7 22.4 20.5 -16.5 26.3 269 45 B T S - 0 0 30 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.265 28.8-111.4 -66.7 163.5 18.9 -14.0 20.8 272 48 B I H > S+ 0 0 59 97,-0.5 4,-2.7 98,-0.2 5,-0.4 0.892 120.4 52.6 -57.2 -44.1 21.4 -11.3 19.9 273 49 B K H > S+ 0 0 54 97,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.921 114.9 39.0 -62.3 -46.5 19.2 -10.4 17.0 274 50 B E H > S+ 0 0 91 96,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.947 118.9 47.9 -70.7 -48.0 16.0 -10.0 19.1 275 51 B G H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.943 115.5 41.8 -55.2 -56.2 17.8 -8.4 22.0 276 52 B V H X S+ 0 0 14 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.847 113.3 53.7 -65.8 -37.1 19.8 -5.8 20.0 277 53 B G H X S+ 0 0 21 -4,-1.5 4,-2.0 -5,-0.4 -1,-0.2 0.919 110.9 46.7 -60.6 -43.7 16.8 -5.1 17.7 278 54 B R H < S+ 0 0 119 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.829 110.3 53.6 -69.0 -32.3 14.7 -4.3 20.8 279 55 B X H >< S+ 0 0 4 -4,-2.0 3,-1.6 2,-0.2 4,-0.3 0.972 112.5 41.7 -66.4 -54.3 17.4 -2.2 22.3 280 56 B F H >< S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.3 75,-0.6 0.871 105.9 66.9 -59.9 -35.4 17.7 0.0 19.3 281 57 B G T 3< S+ 0 0 32 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.595 89.6 66.2 -60.1 -15.4 13.8 -0.1 19.1 282 58 B L T < S+ 0 0 47 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.659 88.6 83.3 -73.3 -18.9 13.8 1.9 22.3 283 59 B L S < S- 0 0 1 -3,-2.2 72,-2.9 -4,-0.3 2,-0.1 -0.767 81.4-123.9-102.1 125.5 15.4 5.0 20.6 284 60 B P B > -O 354 0G 46 0, 0.0 3,-1.8 0, 0.0 70,-0.3 -0.441 21.3-127.6 -60.3 137.9 13.4 7.5 18.6 285 61 B S G > S+ 0 0 11 68,-2.6 3,-1.6 67,-0.3 69,-0.2 0.665 103.0 78.7 -64.4 -15.2 14.8 7.8 15.0 286 62 B S G 3 S+ 0 0 109 67,-0.5 3,-0.3 1,-0.3 4,-0.3 0.640 80.4 68.0 -66.1 -15.8 15.1 11.6 15.6 287 63 B L G <> + 0 0 28 -3,-1.8 4,-3.1 1,-0.2 5,-0.3 0.439 67.6 113.2 -80.8 -0.7 18.2 10.9 17.7 288 64 B K H <> S+ 0 0 87 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.856 79.9 36.4 -40.8 -60.5 20.1 9.9 14.5 289 65 B E H > S+ 0 0 130 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.883 116.9 52.9 -69.3 -36.2 22.6 12.7 14.3 290 66 B E H > S+ 0 0 116 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.930 111.8 45.4 -63.4 -44.4 23.1 13.0 18.1 291 67 B I H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.901 113.8 50.6 -64.9 -41.3 23.9 9.2 18.4 292 68 B T H X S+ 0 0 21 -4,-2.3 4,-2.5 -5,-0.3 5,-0.2 0.944 111.0 46.5 -61.6 -48.6 26.2 9.4 15.4 293 69 B S H X S+ 0 0 73 -4,-2.7 4,-1.8 1,-0.2 5,-0.2 0.903 112.5 52.1 -67.2 -35.9 28.1 12.4 16.8 294 70 B F H X S+ 0 0 46 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.944 110.8 46.3 -59.7 -51.7 28.4 10.7 20.2 295 71 B V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.922 111.8 50.8 -61.9 -41.4 29.8 7.4 18.7 296 72 B L H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.3 41.1 -66.4 -35.5 32.3 9.2 16.5 297 73 B E H < S+ 0 0 113 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.903 122.4 42.7 -72.6 -40.6 33.6 11.3 19.5 298 74 B D H < S+ 0 0 55 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.888 90.1 88.0 -77.4 -46.0 33.4 8.2 21.9 299 75 B A < - 0 0 14 -4,-3.2 2,-0.4 -5,-0.2 -58,-0.0 -0.360 58.0-162.0 -70.1 132.1 34.8 5.2 19.9 300 76 B K - 0 0 59 -2,-0.1 -58,-2.3 0, 0.0 2,-0.3 -0.963 12.4-134.9-120.7 131.9 38.6 4.7 20.2 301 77 B I B -N 241 0F 34 -2,-0.4 -60,-0.3 -60,-0.2 3,-0.1 -0.662 29.9-105.8 -93.9 136.9 40.6 2.6 17.7 302 78 B R > - 0 0 17 -62,-3.5 3,-1.4 -2,-0.3 -1,-0.1 -0.238 48.3 -86.5 -66.7 149.6 43.1 0.2 19.0 303 79 B E T 3 S+ 0 0 106 1,-0.2 128,-2.4 126,-0.1 129,-0.6 -0.229 108.5 16.7 -62.4 139.3 46.8 1.3 18.6 304 80 B G T 3> S+ 0 0 4 127,-0.2 4,-2.3 126,-0.2 -1,-0.2 0.449 83.2 125.7 86.4 1.1 48.5 0.3 15.3 305 81 B F H <> S+ 0 0 2 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.950 72.8 45.7 -65.5 -50.0 45.3 -0.4 13.4 306 82 B R H > S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 114.1 49.5 -56.2 -44.8 46.0 1.9 10.4 307 83 B E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.872 109.3 52.8 -63.6 -38.0 49.5 0.7 10.1 308 84 B F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.926 111.1 46.2 -62.5 -42.2 48.3 -2.9 10.2 309 85 B V H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.902 109.8 54.0 -72.2 -36.9 45.8 -2.2 7.4 310 86 B A H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 108.6 50.9 -58.2 -41.7 48.5 -0.4 5.3 311 87 B F H X S+ 0 0 2 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.944 111.8 44.1 -65.4 -47.1 50.7 -3.4 5.6 312 88 B I H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 -1,-0.2 0.870 113.9 50.7 -72.4 -32.2 48.1 -6.0 4.5 313 89 B N H ><5S+ 0 0 92 -4,-2.4 3,-2.0 3,-0.2 -1,-0.2 0.935 106.3 55.1 -63.1 -50.0 46.9 -3.7 1.6 314 90 B E H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 114.2 41.6 -49.6 -37.8 50.5 -3.3 0.4 315 91 B H T 3<5S- 0 0 56 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.331 111.1-122.3 -97.1 9.6 50.7 -7.1 0.2 316 92 B E T < 5 + 0 0 159 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.861 53.6 158.9 50.0 40.8 47.2 -7.5 -1.3 317 93 B I < - 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0 0 15 -3,-1.3 4,-2.9 -4,-0.4 3,-0.7 -0.555 67.6-132.3 -67.3 125.9 53.7 -16.6 10.4 442 218 B K H 3> S+ 0 0 137 -2,-0.3 4,-2.8 1,-0.3 5,-0.2 0.887 103.9 47.0 -48.6 -50.0 55.2 -19.4 8.3 443 219 B E H 3> S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.798 113.6 49.1 -67.5 -29.9 52.3 -19.6 5.8 444 220 B V H <> S+ 0 0 0 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.926 110.7 49.2 -72.5 -49.0 52.2 -15.9 5.4 445 221 B Q H X S+ 0 0 53 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.941 110.9 51.5 -53.8 -49.2 56.0 -15.6 4.8 446 222 B E H X S+ 0 0 66 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.1 47.3 -51.4 -52.3 55.7 -18.4 2.3 447 223 B W H < S+ 0 0 59 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.5 48.0 -62.9 -41.4 53.0 -16.6 0.5 448 224 B L H < S+ 0 0 47 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.6 51.8 -63.3 -42.1 54.9 -13.3 0.5 449 225 B Q H < 0 0 146 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 360.0 360.0 -66.2 -38.9 58.0 -15.1 -0.8 450 226 B N < 0 0 113 -4,-2.3 -1,-0.2 -5,-0.2 -3,-0.1 -0.185 360.0 360.0 -64.8 360.0 56.2 -16.8 -3.7