==== 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 LYASE 06-JAN-06 2FM1 . COMPND 2 MOLECULE: L-ALLO-THREONINE ALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1374 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1019 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 8.3 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 75 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 140 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 496 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 2.8 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 4 3 5 4 8 0 3 1 4 5 11 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 7 1 8 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 . 7 8 1 1 11 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 . 8 0 4 0 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 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 M 0 0 141 0, 0.0 2,-0.7 0, 0.0 304,-0.2 0.000 360.0 360.0 360.0 143.2 13.0 41.6 27.9 2 2 A I E -a 305 0A 9 302,-2.9 304,-3.3 325,-0.1 2,-0.9 -0.883 360.0-155.4 -98.3 110.4 12.9 44.5 30.4 3 3 A D E +a 306 0A 24 -2,-0.7 3,-0.2 319,-0.3 304,-0.1 -0.796 32.3 154.3 -98.3 99.1 16.4 45.8 30.4 4 4 A L + 0 0 0 302,-2.5 314,-2.3 -2,-0.9 304,-0.3 0.035 45.5 104.2-104.5 22.4 17.3 47.6 33.7 5 5 A R S S- 0 0 17 1,-0.3 2,-0.3 302,-0.2 303,-0.2 0.912 92.5 -34.0 -70.7 -42.3 21.0 47.0 33.4 6 6 A S > - 0 0 7 312,-0.3 3,-0.8 -3,-0.2 -1,-0.3 -0.960 48.8-108.9-169.8 155.1 22.0 50.5 32.3 7 7 A D G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.2 195,-0.2 0.526 104.8 83.8 -70.2 -5.4 20.9 53.6 30.3 8 8 A T G 3 S+ 0 0 2 1,-0.3 -1,-0.2 192,-0.1 1258,-0.2 0.781 77.8 66.8 -67.6 -23.0 23.6 52.6 27.8 9 9 A V G < + 0 0 14 -3,-0.8 -1,-0.3 -6,-0.1 -2,-0.1 0.480 70.0 130.4 -84.3 -1.8 21.2 50.2 26.2 10 10 A T < - 0 0 0 -3,-1.3 1256,-0.2 188,-0.2 191,-0.1 -0.192 48.4-145.3 -45.3 133.4 18.9 53.0 24.9 11 11 A K - 0 0 97 1,-0.1 2,-0.2 1048,-0.0 -1,-0.1 -0.653 26.0 -87.1-101.5 160.8 18.0 52.5 21.2 12 12 A P - 0 0 9 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.470 41.0-122.1 -66.4 140.9 17.5 55.3 18.7 13 13 A T > - 0 0 29 -2,-0.2 4,-2.5 189,-0.1 5,-0.1 -0.210 27.5-105.4 -67.4 166.4 14.0 56.8 18.3 14 14 A E H > S+ 0 0 140 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 123.0 57.0 -62.6 -42.1 12.2 56.8 15.0 15 15 A E H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 109.9 46.0 -57.4 -40.7 13.0 60.5 14.6 16 16 A M H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.866 109.0 53.2 -68.8 -43.4 16.7 59.6 14.9 17 17 A R H X S+ 0 0 46 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.938 112.1 46.9 -55.9 -46.1 16.6 56.7 12.5 18 18 A K H X S+ 0 0 52 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.882 111.0 51.2 -60.9 -41.7 15.0 59.0 9.9 19 19 A A H < S+ 0 0 24 -4,-1.6 4,-0.4 -5,-0.2 -1,-0.2 0.833 108.0 52.6 -69.6 -32.4 17.6 61.8 10.6 20 20 A M H >< S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.2 -1,-0.2 0.890 107.4 51.4 -69.1 -40.5 20.5 59.3 10.1 21 21 A A H 3< S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.843 118.3 37.8 -60.8 -37.7 19.1 58.1 6.7 22 22 A Q T 3< S+ 0 0 144 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.339 87.5 140.4 -98.8 3.5 18.9 61.8 5.5 23 23 A A < - 0 0 5 -3,-0.6 2,-0.5 -4,-0.4 212,-0.1 -0.176 51.1-133.2 -56.0 136.5 22.0 63.0 7.2 24 24 A E - 0 0 135 210,-0.2 11,-0.8 211,-0.0 2,-0.2 -0.833 37.0-173.6 -89.7 125.0 24.2 65.4 5.3 25 25 A V + 0 0 3 -2,-0.5 2,-0.3 9,-0.1 207,-0.1 -0.678 20.0 162.7-126.3 166.4 27.8 64.2 5.6 26 26 A G - 0 0 7 -2,-0.2 2,-0.9 205,-0.2 208,-0.4 -0.933 53.7 -66.9-169.1 174.8 31.3 65.2 4.8 27 27 A D > > - 0 0 3 -2,-0.3 5,-2.6 5,-0.2 3,-1.1 -0.702 37.2-164.6 -84.5 107.0 34.9 64.2 5.8 28 28 A D G > 5S+ 0 0 5 203,-2.0 3,-1.2 -2,-0.9 203,-0.2 0.719 84.7 71.6 -65.2 -19.4 35.2 65.3 9.4 29 29 A V G 3 5S+ 0 0 22 1,-0.3 -1,-0.2 201,-0.2 783,-0.1 0.893 106.3 38.4 -63.2 -31.6 39.0 65.0 9.0 30 30 A Y G < 5S- 0 0 77 -3,-1.1 -1,-0.3 201,-0.0 -2,-0.2 0.248 121.0-109.2 -96.8 5.7 38.9 68.1 6.9 31 31 A G T < 5S+ 0 0 39 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.775 84.7 124.2 72.3 28.4 36.2 69.7 9.0 32 32 A E < + 0 0 84 -5,-2.6 -4,-0.2 199,-0.1 -5,-0.2 0.271 25.6 106.4-114.8 11.7 33.7 69.1 6.3 33 33 A D > - 0 0 0 -7,-0.3 4,-2.6 -6,-0.2 5,-0.2 -0.811 51.8-163.6 -88.9 108.9 30.9 67.2 7.9 34 34 A P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.803 86.7 49.9 -64.2 -27.2 28.1 69.8 8.2 35 35 A T H > S+ 0 0 19 -11,-0.8 4,-2.6 2,-0.2 5,-0.2 0.886 111.0 47.9 -79.0 -42.9 26.1 67.8 10.7 36 36 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.959 112.1 51.5 -54.2 -54.2 29.1 67.2 13.0 37 37 A N H X S+ 0 0 63 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.872 111.5 46.5 -53.3 -42.3 29.9 70.9 12.7 38 38 A E H X S+ 0 0 70 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.887 110.8 51.4 -69.5 -40.0 26.3 71.8 13.7 39 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 112.4 47.3 -61.7 -45.6 26.2 69.3 16.6 40 40 A E H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.873 111.2 50.6 -63.0 -38.0 29.4 70.7 17.9 41 41 A R H X S+ 0 0 111 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.931 113.5 46.1 -65.9 -46.4 28.2 74.3 17.5 42 42 A L H X S+ 0 0 23 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.864 111.3 50.9 -59.4 -45.4 25.0 73.4 19.4 43 43 A A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 6,-0.2 0.952 110.8 49.6 -59.2 -46.9 26.8 71.6 22.2 44 44 A A H X>S+ 0 0 9 -4,-2.2 5,-2.6 1,-0.2 4,-0.7 0.922 112.7 46.7 -59.1 -48.3 29.1 74.5 22.7 45 45 A E H <5S+ 0 0 113 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.878 107.6 55.9 -62.9 -41.1 26.2 77.0 22.8 46 46 A T H <5S+ 0 0 45 -4,-2.4 138,-0.3 1,-0.2 -1,-0.2 0.772 115.8 38.2 -61.8 -28.9 24.2 74.8 25.3 47 47 A F H <5S- 0 0 3 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.457 110.1-118.7-105.8 0.6 27.2 74.8 27.8 48 48 A G T <5 + 0 0 50 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.818 68.7 137.0 68.4 30.0 28.2 78.4 27.2 49 49 A K < - 0 0 30 -5,-2.6 -1,-0.2 -6,-0.2 163,-0.1 -0.725 63.2-125.1-106.9 161.1 31.6 77.3 25.9 50 50 A E S S+ 0 0 92 -2,-0.3 2,-0.3 161,-0.2 162,-0.2 0.765 87.0 14.2 -72.6 -27.0 33.6 78.5 22.9 51 51 A A E -B 211 0B 17 160,-2.4 160,-2.4 -7,-0.2 2,-0.3 -0.932 56.0-160.2-155.0 164.4 34.1 75.0 21.3 52 52 A A E -B 210 0B 4 -2,-0.3 2,-0.4 158,-0.2 158,-0.2 -0.981 4.8-157.6-152.2 152.0 33.0 71.4 21.2 53 53 A L E -B 209 0B 0 156,-2.1 156,-2.2 -2,-0.3 2,-0.3 -0.985 14.1-139.9-141.6 122.2 34.3 68.1 20.0 54 54 A F E -B 208 0B 0 -2,-0.4 154,-0.2 154,-0.2 152,-0.1 -0.674 24.6-177.2 -80.8 138.0 32.4 65.0 19.1 55 55 A V E -B 207 0B 0 152,-2.7 152,-2.2 -2,-0.3 6,-0.1 -0.947 36.8-120.8-135.3 152.0 33.9 61.7 20.2 56 56 A P S S+ 0 0 1 0, 0.0 150,-0.9 0, 0.0 2,-0.3 0.659 94.6 12.0 -66.2 -13.6 32.9 58.0 19.7 57 57 A S > - 0 0 1 148,-0.2 4,-1.4 1207,-0.1 150,-0.3 -0.969 69.0-117.8-156.6 159.6 32.7 57.5 23.5 58 58 A G H > S+ 0 0 0 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.775 114.9 60.1 -69.5 -34.2 32.7 59.2 26.9 59 59 A T H > S+ 0 0 1 2,-0.2 4,-2.5 1204,-0.2 -1,-0.2 0.909 106.4 46.2 -53.8 -48.7 35.9 57.4 27.7 60 60 A M H > S+ 0 0 0 1201,-0.4 4,-2.9 2,-0.2 5,-0.3 0.891 109.7 56.1 -64.5 -36.7 37.5 59.1 24.8 61 61 A G H X S+ 0 0 0 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.916 112.8 39.9 -56.6 -50.3 36.0 62.4 25.9 62 62 A N H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.908 115.5 51.5 -65.9 -42.9 37.6 62.1 29.3 63 63 A Q H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.904 111.2 45.8 -71.4 -39.6 40.9 60.8 28.0 64 64 A V H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.819 111.7 54.3 -65.8 -31.6 41.4 63.5 25.4 65 65 A S H X S+ 0 0 0 -4,-1.4 4,-1.4 -5,-0.3 -2,-0.2 0.928 108.6 47.8 -62.3 -48.2 40.4 66.1 28.1 66 66 A I H >X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 3,-0.6 0.952 113.4 48.4 -59.1 -48.9 43.1 64.7 30.4 67 67 A M H >< S+ 0 0 12 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.933 112.7 47.2 -55.4 -49.6 45.7 64.8 27.5 68 68 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.702 117.6 43.8 -68.8 -21.1 44.8 68.4 26.5 69 69 A H H << S+ 0 0 14 -4,-1.4 2,-0.3 -3,-0.6 -1,-0.2 0.587 112.2 54.7 -95.0 -15.1 44.9 69.5 30.2 70 70 A T << - 0 0 10 -4,-1.3 2,-0.3 -3,-0.7 59,-0.0 -0.751 56.7-147.4-127.1 162.0 48.1 67.7 31.3 71 71 A Q > - 0 0 96 -2,-0.3 3,-1.8 57,-0.2 57,-0.1 -0.821 54.2 -72.9-115.5 161.3 51.8 67.1 30.7 72 72 A R T 3 S+ 0 0 43 -2,-0.3 26,-0.2 1,-0.3 25,-0.2 -0.294 120.8 21.1 -56.7 136.0 53.6 63.8 31.4 73 73 A G T 3 S+ 0 0 6 24,-3.0 55,-0.5 1,-0.3 -1,-0.3 0.507 91.8 133.7 82.3 3.2 54.1 63.2 35.1 74 74 A D < - 0 0 9 -3,-1.8 25,-1.9 22,-0.3 2,-0.4 -0.307 51.3-124.8 -71.6 168.9 51.2 65.6 36.2 75 75 A E E -cd 99 129B 0 53,-2.6 55,-1.7 23,-0.2 56,-1.3 -0.957 12.1-151.6-125.0 142.5 48.7 64.5 38.7 76 76 A V E -cd 100 131B 0 23,-3.0 25,-3.5 -2,-0.4 2,-0.5 -0.944 7.3-149.5-115.8 115.2 44.9 64.4 38.5 77 77 A I E +cd 101 132B 0 54,-2.1 56,-3.3 -2,-0.6 2,-0.3 -0.704 33.7 155.3 -79.0 124.5 42.7 64.9 41.6 78 78 A L E -c 102 0B 0 23,-1.2 25,-2.1 -2,-0.5 2,-0.2 -0.937 49.5 -81.6-146.7 166.7 39.5 62.9 41.2 79 79 A E E > -c 103 0B 6 54,-0.3 3,-2.0 -2,-0.3 6,-0.3 -0.467 40.2-122.2 -77.7 140.6 36.9 61.3 43.5 80 80 A A T 3 S+ 0 0 27 23,-3.0 -1,-0.1 1,-0.3 30,-0.0 0.686 110.6 43.0 -61.0 -19.8 38.0 57.9 44.8 81 81 A D T 3 S+ 0 0 60 22,-0.3 59,-0.6 4,-0.1 -1,-0.3 -0.048 89.4 132.6-114.1 30.1 34.9 56.1 43.3 82 82 A S <> - 0 0 5 -3,-2.0 4,-2.7 1,-0.1 3,-0.3 -0.463 64.7-124.3 -87.4 150.7 34.9 57.9 40.0 83 83 A H H >>S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.5 0.871 108.2 61.3 -60.3 -43.5 34.6 56.3 36.5 84 84 A I H 45S+ 0 0 5 1,-0.2 4,-0.4 3,-0.2 8,-0.3 0.906 114.7 35.5 -54.4 -42.1 37.9 57.8 35.2 85 85 A F H 45S+ 0 0 5 -3,-0.3 5,-0.2 -6,-0.3 -2,-0.2 0.947 130.2 30.9 -73.5 -47.7 39.8 55.9 38.0 86 86 A W H <5S+ 0 0 37 -4,-2.7 3,-0.2 1,-0.1 -3,-0.2 0.849 127.8 27.1 -83.5 -40.8 37.6 52.6 38.0 87 87 A Y T <5S+ 0 0 52 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.1 0.228 95.2 80.4-120.6 12.4 36.3 52.1 34.5 88 88 A E S > > S+ 0 0 1 -6,-0.3 4,-1.6 379,-0.3 3,-0.9 0.758 90.2 148.8 63.1 26.2 44.1 52.8 33.4 91 91 A A H <>> + 0 0 1 -3,-2.1 4,-3.6 1,-0.3 5,-0.7 0.826 59.3 62.6 -63.9 -37.0 44.1 55.0 30.3 92 92 A M H 3>5S+ 0 0 1 -8,-0.3 6,-1.6 1,-0.2 4,-0.8 0.843 108.5 45.1 -59.2 -32.6 45.2 58.2 32.0 93 93 A A H <>5S+ 0 0 1 -3,-0.9 4,-1.0 4,-0.2 -1,-0.2 0.926 120.9 36.9 -71.3 -49.8 48.4 56.4 33.0 94 94 A V H <5S+ 0 0 13 -4,-1.6 -2,-0.2 347,-0.2 -3,-0.2 0.904 126.3 34.5 -74.7 -46.4 49.1 54.9 29.6 95 95 A L H <5S+ 0 0 3 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.1 0.898 135.5 19.2 -79.5 -41.5 47.9 57.7 27.4 96 96 A S H < S-H 109 0C 171 3,-2.6 3,-1.6 -2,-0.3 35,-0.0 -0.916 102.0 -25.3 -98.3 105.9 30.2 61.7 50.0 107 107 A N T 3 S- 0 0 59 -2,-0.8 -1,-0.2 1,-0.3 31,-0.2 0.918 132.2 -42.2 54.5 50.4 28.2 60.6 47.0 108 108 A G T 3 S+ 0 0 1 -3,-0.2 2,-1.0 1,-0.2 27,-0.4 0.246 113.4 120.2 84.0 -11.7 30.7 62.1 44.5 109 109 A A E < -H 106 0C 19 -3,-1.6 -3,-2.6 36,-0.1 2,-0.2 -0.758 50.0-158.0 -92.1 101.3 31.2 65.3 46.6 110 110 A M E -H 105 0C 1 -2,-1.0 -5,-0.2 -5,-0.3 44,-0.1 -0.554 29.5-109.0 -69.5 135.6 34.8 65.6 47.6 111 111 A D >> - 0 0 77 -7,-0.6 3,-1.8 -2,-0.2 4,-1.7 -0.566 24.7-134.5 -66.2 119.0 35.3 67.9 50.7 112 112 A P H 3> S+ 0 0 8 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.799 105.0 57.1 -48.0 -31.9 36.9 71.0 49.3 113 113 A D H 3> S+ 0 0 93 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.798 105.0 50.6 -67.9 -33.0 39.4 71.0 52.2 114 114 A D H <> S+ 0 0 65 -3,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.811 109.9 50.5 -72.4 -34.3 40.5 67.5 51.2 115 115 A V H >X S+ 0 0 0 -4,-1.7 3,-1.0 2,-0.2 4,-0.9 0.951 107.8 53.0 -65.1 -50.9 41.0 68.7 47.6 116 116 A R H >< S+ 0 0 105 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.921 111.0 47.9 -43.2 -50.0 43.1 71.6 48.9 117 117 A K H 3< S+ 0 0 117 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.665 104.1 59.5 -71.8 -19.1 45.3 69.0 50.8 118 118 A A H << S+ 0 0 4 -3,-1.0 2,-0.3 -4,-0.9 -1,-0.2 0.620 81.9 104.7 -83.4 -13.2 45.7 66.7 47.7 119 119 A I S << S- 0 0 21 -3,-0.9 9,-0.1 -4,-0.9 11,-0.0 -0.532 76.1-119.9 -75.3 129.6 47.3 69.5 45.7 120 120 A R - 0 0 17 -2,-0.3 9,-0.3 -45,-0.1 2,-0.1 -0.491 16.1-131.4 -75.1 134.8 51.1 69.1 45.4 121 121 A P - 0 0 82 0, 0.0 2,-0.8 0, 0.0 5,-0.1 -0.408 42.3 -90.1 -63.9 155.3 53.5 71.7 46.7 122 122 A R S S+ 0 0 216 -2,-0.1 2,-0.3 6,-0.1 6,-0.1 -0.666 75.3 136.1 -68.9 106.4 56.2 72.8 44.2 123 123 A N > - 0 0 69 -2,-0.8 3,-1.9 3,-0.3 -3,-0.0 -0.972 65.3-117.5-153.8 145.5 59.0 70.3 45.0 124 124 A I T 3 S+ 0 0 46 -2,-0.3 789,-0.1 1,-0.3 -1,-0.1 0.811 114.6 54.3 -49.2 -36.4 61.4 68.3 42.9 125 125 A H T 3 S+ 0 0 21 307,-0.1 308,-2.4 -3,-0.1 -1,-0.3 0.605 99.4 80.0 -73.7 -16.8 59.9 65.0 44.4 126 126 A F S < S- 0 0 25 -3,-1.9 -3,-0.3 306,-0.1 305,-0.1 -0.771 74.1-128.5-106.8 136.3 56.3 65.9 43.5 127 127 A P - 0 0 1 0, 0.0 2,-0.5 0, 0.0 -53,-0.2 -0.262 39.0-103.7 -61.2 165.4 54.3 65.7 40.4 128 128 A R - 0 0 124 -55,-0.5 -53,-2.6 305,-0.1 2,-0.6 -0.846 24.5-134.3 -97.6 123.7 52.5 68.9 39.4 129 129 A T E +d 75 0B 6 -2,-0.5 -53,-0.2 -9,-0.3 3,-0.1 -0.730 42.0 153.6 -78.2 118.4 48.7 69.0 40.0 130 130 A S E + 0 0 1 -55,-1.7 34,-2.3 -2,-0.6 2,-0.4 0.509 54.1 43.3-124.3 -12.1 47.3 70.3 36.8 131 131 A L E -de 76 164B 1 -56,-1.3 -54,-2.1 32,-0.2 2,-0.4 -0.999 48.7-168.8-144.9 136.2 43.7 68.9 36.8 132 132 A I E -de 77 165B 0 32,-1.9 34,-2.5 -2,-0.4 2,-0.4 -0.999 18.0-157.6-118.1 129.0 40.8 68.3 39.1 133 133 A A E - 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0 0 4 312,-0.3 3,-0.7 -3,-0.2 -1,-0.2 -0.960 46.7-109.3-174.5 158.1 67.0 63.0 56.9 351 7 B D G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.2 195,-0.3 0.389 103.6 83.9 -77.4 -2.0 69.5 60.1 57.2 352 8 B T G 3 S+ 0 0 2 1,-0.2 -1,-0.2 192,-0.1 568,-0.2 0.724 75.7 70.6 -70.0 -25.3 70.4 60.7 53.5 353 9 B V G < + 0 0 14 -3,-0.7 -1,-0.2 -6,-0.1 -2,-0.1 0.451 69.2 128.5 -76.1 -4.3 72.8 63.4 54.7 354 10 B T < - 0 0 0 -3,-1.0 566,-0.2 188,-0.2 360,-0.1 -0.325 50.2-146.9 -49.5 127.0 75.1 60.7 56.1 355 11 B K - 0 0 88 1,-0.1 -1,-0.1 358,-0.1 -2,-0.0 -0.617 27.9 -85.7 -97.5 158.3 78.7 61.3 54.9 356 12 B P - 0 0 8 0, 0.0 191,-0.1 0, 0.0 -1,-0.1 -0.320 40.8-119.2 -66.6 148.1 81.1 58.5 54.1 357 13 B T > - 0 0 30 189,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.244 30.3-104.0 -74.4 168.7 83.3 57.0 56.9 358 14 B E H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.884 124.5 52.3 -60.7 -39.8 87.1 57.2 56.7 359 15 B E H > S+ 0 0 133 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.927 107.4 51.8 -63.3 -46.5 87.2 53.4 55.8 360 16 B M H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 109.6 49.9 -48.8 -49.7 84.6 54.1 53.0 361 17 B R H X S+ 0 0 57 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.877 112.6 46.8 -62.4 -40.2 86.9 56.9 51.6 362 18 B K H X S+ 0 0 53 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.926 112.1 49.7 -64.3 -48.0 89.9 54.7 51.7 363 19 B A H < S+ 0 0 23 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.822 108.9 53.7 -65.1 -31.4 88.1 51.8 50.0 364 20 B M H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.926 109.0 47.1 -69.6 -46.9 86.8 54.2 47.3 365 21 B A H 3< S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.869 118.7 42.2 -54.9 -41.9 90.3 55.4 46.4 366 22 B Q T 3< S+ 0 0 150 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.417 85.8 143.5 -88.4 1.0 91.5 51.8 46.3 367 23 B A < - 0 0 5 -3,-0.9 2,-0.7 -4,-0.3 212,-0.2 -0.104 50.2-134.6 -54.2 127.9 88.5 50.4 44.5 368 24 B E - 0 0 83 210,-0.2 11,-0.9 211,-0.0 2,-0.2 -0.773 41.4-177.5 -77.1 117.4 89.1 47.6 41.9 369 25 B V + 0 0 3 -2,-0.7 2,-0.3 9,-0.1 207,-0.1 -0.700 23.1 161.4-122.0 167.7 87.0 48.7 39.0 370 26 B G - 0 0 7 -2,-0.2 2,-0.8 205,-0.2 7,-0.3 -0.886 54.2 -63.0-162.6-169.6 85.8 47.8 35.5 371 27 B D > > - 0 0 3 -2,-0.3 5,-2.1 1,-0.2 3,-1.4 -0.815 38.0-164.4 -97.0 108.6 83.1 48.6 33.0 372 28 B D G > 5S+ 0 0 3 203,-1.8 3,-1.5 -2,-0.8 203,-0.2 0.756 85.3 69.0 -67.2 -24.8 79.8 47.7 34.5 373 29 B V G 3 5S+ 0 0 25 201,-0.4 -1,-0.3 1,-0.3 785,-0.1 0.833 106.7 41.5 -61.1 -29.9 78.0 47.9 31.2 374 30 B Y G < 5S- 0 0 76 -3,-1.4 -1,-0.3 201,-0.1 -2,-0.2 0.340 119.6-112.3 -92.4 5.9 80.1 44.7 30.2 375 31 B G T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -4,-0.1 -2,-0.1 0.748 84.8 123.1 67.6 27.3 79.5 43.2 33.7 376 32 B E < + 0 0 83 -5,-2.1 -4,-0.2 4,-0.0 -5,-0.2 0.332 27.3 103.7-110.3 2.5 83.3 43.7 34.3 377 33 B D > - 0 0 0 -7,-0.3 4,-2.1 -6,-0.2 3,-0.2 -0.814 53.3-163.9 -84.5 108.9 83.4 45.8 37.5 378 34 B P H > S+ 0 0 63 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.737 84.8 54.1 -63.2 -30.5 84.4 43.3 40.1 379 35 B T H > S+ 0 0 20 -11,-0.9 4,-2.4 2,-0.2 5,-0.2 0.836 110.5 46.4 -78.2 -33.6 83.5 45.5 43.1 380 36 B I H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.939 113.1 50.8 -65.0 -49.0 79.9 46.0 41.8 381 37 B N H X S+ 0 0 64 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.889 112.7 46.1 -53.4 -45.7 79.7 42.2 41.1 382 38 B E H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.922 111.8 49.4 -65.4 -48.7 80.8 41.5 44.6 383 39 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.944 113.7 48.2 -53.0 -50.3 78.4 44.0 46.2 384 40 B E H X S+ 0 0 15 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.927 111.3 49.3 -54.1 -47.9 75.6 42.5 44.1 385 41 B R H X S+ 0 0 112 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.858 113.2 47.6 -60.1 -42.9 76.6 38.9 45.1 386 42 B L H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.856 111.5 49.1 -64.6 -43.6 76.7 39.9 48.7 387 43 B A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.935 111.5 48.8 -67.4 -46.9 73.3 41.7 48.7 388 44 B A H X>S+ 0 0 7 -4,-2.5 5,-2.8 1,-0.2 4,-0.7 0.924 113.5 48.3 -56.5 -46.4 71.6 38.8 47.0 389 45 B E H <5S+ 0 0 116 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.877 110.5 50.5 -60.1 -40.9 73.2 36.4 49.6 390 46 B T H <5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 115.9 41.5 -72.2 -32.8 72.1 38.6 52.5 391 47 B F H <5S- 0 0 1 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.422 113.1-116.7 -93.7 -0.1 68.5 38.8 51.3 392 48 B G T <5 + 0 0 50 -4,-0.7 2,-0.3 -3,-0.3 -3,-0.2 0.830 69.9 135.9 71.0 32.9 68.4 35.1 50.3 393 49 B K < - 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0 0 2 3,-0.3 3,-1.8 -2,-0.2 -120,-0.1 -0.934 59.0 -72.4-171.9 171.5 36.8 56.9 -5.9 1355 321 D K T 3 S+ 0 0 49 -2,-0.3 -121,-0.0 1,-0.3 -314,-0.0 0.766 122.4 59.5 -54.6 -32.8 33.1 56.2 -6.4 1356 322 D D T 3 S+ 0 0 68 -319,-0.1 2,-0.4 1,-0.1 -319,-0.3 0.207 93.9 72.7 -93.4 18.1 32.1 59.9 -6.3 1357 323 D V S < S- 0 0 3 -3,-1.8 -3,-0.3 -321,-0.1 -1,-0.1 -0.955 73.2-162.2-125.8 113.5 34.4 60.7 -9.3 1358 324 D S > - 0 0 53 -2,-0.4 4,-1.9 1,-0.1 5,-0.1 -0.304 36.2-103.2 -85.3 169.7 32.9 59.4 -12.5 1359 325 D R H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 125.5 56.0 -53.8 -42.8 34.6 58.9 -15.8 1360 326 D N H > S+ 0 0 106 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 105.4 50.0 -59.2 -43.6 32.9 62.1 -16.9 1361 327 D D H > S+ 0 0 43 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.869 109.1 52.8 -57.6 -42.3 34.5 64.0 -14.0 1362 328 D I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.920 109.3 49.0 -60.8 -45.6 37.9 62.6 -14.9 1363 329 D E H X S+ 0 0 78 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.904 111.7 49.4 -59.3 -44.7 37.4 63.8 -18.5 1364 330 D E H X S+ 0 0 95 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.957 111.9 47.6 -58.6 -49.8 36.4 67.3 -17.2 1365 331 D A H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.900 109.4 54.1 -61.5 -40.6 39.4 67.4 -14.9 1366 332 D L H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.875 104.6 53.7 -59.0 -42.8 41.7 66.3 -17.8 1367 333 D N H X S+ 0 0 98 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.883 113.1 44.3 -59.9 -39.7 40.5 69.1 -20.0 1368 334 D I H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.924 110.0 53.8 -69.3 -48.4 41.4 71.5 -17.2 1369 335 D F H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.871 107.4 54.2 -49.8 -42.7 44.8 69.8 -16.6 1370 336 D E H X S+ 0 0 102 -4,-2.5 4,-1.4 2,-0.2 3,-0.3 0.951 110.2 44.1 -59.2 -51.8 45.5 70.3 -20.4 1371 337 D K H X S+ 0 0 148 -4,-1.7 4,-2.1 1,-0.2 3,-0.2 0.909 113.2 51.4 -56.0 -48.2 44.8 74.1 -20.2 1372 338 D L H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.739 101.7 61.9 -61.9 -29.7 46.8 74.5 -17.0 1373 339 D F H X S+ 0 0 33 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.935 105.2 46.3 -65.1 -44.7 49.7 72.6 -18.7 1374 340 D R H < S+ 0 0 87 -4,-1.4 3,-0.3 -3,-0.2 -2,-0.2 0.947 114.6 49.9 -57.9 -51.0 49.9 75.5 -21.3 1375 341 D K H < S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.885 124.0 25.6 -50.0 -49.3 49.7 78.0 -18.4 1376 342 D F H < 0 0 31 -4,-2.3 -52,-3.1 1,-0.2 -51,-0.2 0.424 360.0 360.0-107.2 0.5 52.4 76.5 -16.1 1377 343 D S < 0 0 93 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.1 0.574 360.0 360.0 -92.6 360.0 54.5 74.7 -18.7