==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 18-JAN-07 2OL5 . COMPND 2 MOLECULE: PAI 2 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR J.S.BRUNZELLE,M.E.CUFF,G.MINASOV,H.LI,A.JOACHIMIAK,W.F.ANDER . 369 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 254 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 100 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 32 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 22.5 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+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 1 1 0 0 1 1 1 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 0 0 2 2 0 2 0 2 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 11 A D 0 0 140 0, 0.0 2,-0.1 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 -38.7 -0.5 19.4 5.4 2 12 A P > - 0 0 90 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.099 360.0 -20.1-136.5-129.0 1.8 19.9 8.4 3 13 A D T 3> S+ 0 0 121 1,-0.3 4,-0.7 2,-0.2 3,-0.3 0.359 106.6 83.0 -88.8 4.1 3.5 18.4 11.4 4 14 A V H 3> S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.645 75.4 74.1 -77.6 -17.6 1.2 15.4 11.6 5 15 A A H <> S+ 0 0 18 -3,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.927 93.3 52.6 -65.1 -41.3 3.3 13.7 8.9 6 16 A Y H > S+ 0 0 70 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.913 106.0 53.9 -59.3 -43.8 6.1 13.0 11.4 7 17 A Q H X S+ 0 0 84 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.915 108.1 49.2 -55.2 -50.4 3.6 11.4 13.8 8 18 A V H X S+ 0 0 10 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.897 110.4 51.8 -59.2 -41.9 2.5 8.9 11.1 9 19 A I H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.941 112.4 44.4 -59.5 -48.1 6.1 8.1 10.3 10 20 A E H < S+ 0 0 81 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.837 117.0 45.3 -68.1 -32.5 7.0 7.3 13.9 11 21 A E H < S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.648 121.3 36.8 -87.4 -16.5 3.8 5.2 14.6 12 22 A N S < S+ 0 0 26 -4,-1.6 53,-0.4 -3,-0.2 -1,-0.2 -0.525 71.0 153.6-132.0 63.3 3.9 3.2 11.3 13 23 A S + 0 0 9 -3,-0.5 19,-2.4 1,-0.1 2,-1.7 0.607 45.6 93.1 -76.8 -16.2 7.6 2.7 11.0 14 24 A F E +A 31 0A 16 17,-0.2 51,-0.3 51,-0.1 -1,-0.1 -0.581 68.9 177.8 -76.9 85.2 7.4 -0.5 9.0 15 25 A A E -A 30 0A 0 -2,-1.7 15,-1.9 15,-1.3 2,-0.5 -0.197 35.5-119.5 -86.6 169.9 7.6 1.3 5.7 16 26 A T E -AB 29 63A 0 47,-2.2 47,-2.6 13,-0.2 2,-0.7 -0.978 26.0-157.3-103.9 127.0 7.7 0.2 2.0 17 27 A L E -AB 28 62A 0 11,-2.9 11,-1.6 -2,-0.5 2,-0.4 -0.881 11.8-171.5-110.4 106.7 10.9 1.4 0.3 18 28 A V E +AB 27 61A 0 43,-2.8 43,-2.4 -2,-0.7 2,-0.3 -0.801 17.0 145.1-106.2 135.8 10.6 1.7 -3.4 19 29 A S E -A 26 0A 0 7,-2.3 7,-2.1 -2,-0.4 2,-0.5 -0.867 52.7 -90.5-149.3 175.7 13.4 2.4 -5.9 20 30 A X E -A 25 0A 43 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.891 37.2-171.6 -95.6 125.8 14.3 1.4 -9.4 21 31 A H E > S-A 24 0A 18 3,-3.2 3,-1.8 -2,-0.5 30,-0.1 -0.995 75.2 -20.5-116.1 120.6 16.4 -1.7 -9.4 22 32 A Q T 3 S- 0 0 156 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.856 127.3 -52.6 44.8 45.6 17.8 -2.5 -12.9 23 33 A R T 3 S+ 0 0 228 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.634 121.5 97.8 70.1 16.8 15.1 -0.3 -14.6 24 34 A E E < S-A 21 0A 64 -3,-1.8 -3,-3.2 222,-0.0 -1,-0.2 -0.986 82.6 -99.6-132.6 147.9 12.2 -2.1 -12.8 25 35 A L E -A 20 0A 5 220,-0.4 2,-0.4 -2,-0.3 -5,-0.2 -0.408 43.4-178.9 -67.0 137.5 10.3 -1.0 -9.8 26 36 A F E -A 19 0A 35 -7,-2.1 -7,-2.3 -2,-0.1 2,-0.4 -0.997 6.1-169.0-143.4 136.9 11.4 -2.8 -6.7 27 37 A A E -A 18 0A 2 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.979 5.0-164.2-134.1 141.7 10.1 -2.5 -3.1 28 38 A T E -A 17 0A 17 -11,-1.6 -11,-2.9 -2,-0.4 2,-0.5 -0.967 16.1-138.1-122.6 147.1 11.3 -3.7 0.3 29 39 A H E +A 16 0A 13 -2,-0.4 -13,-0.2 -13,-0.2 -14,-0.1 -0.898 48.7 124.7-104.3 127.3 9.4 -4.0 3.5 30 40 A L E -A 15 0A 9 -15,-1.9 -15,-1.3 -2,-0.5 2,-0.2 -0.966 61.1 -83.9-179.7 148.0 11.4 -2.8 6.4 31 41 A P E -A 14 0A 25 0, 0.0 2,-0.4 0, 0.0 13,-0.4 -0.485 36.0-168.6 -74.6 137.7 11.5 -0.4 9.4 32 42 A L - 0 0 1 -19,-2.4 2,-0.4 -2,-0.2 11,-0.2 -0.994 6.8-159.3-129.5 122.5 12.7 3.1 8.7 33 43 A L E -C 42 0A 26 9,-2.4 9,-3.0 -2,-0.4 2,-0.4 -0.839 15.9-124.9-108.9 143.5 13.4 5.4 11.6 34 44 A L E -C 41 0A 29 -2,-0.4 7,-0.2 7,-0.2 2,-0.0 -0.676 27.8-124.8 -78.4 134.3 13.6 9.2 11.8 35 45 A D > - 0 0 29 5,-2.9 3,-2.1 -2,-0.4 5,-0.1 -0.314 35.7 -96.7 -70.5 164.9 16.9 10.6 13.1 36 46 A R T 3 S+ 0 0 252 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.841 127.5 48.0 -57.2 -38.4 16.5 13.0 16.1 37 47 A E T 3 S- 0 0 160 1,-0.0 -1,-0.3 3,-0.0 -2,-0.0 0.499 105.5-131.8 -77.8 -7.0 16.7 16.1 13.9 38 48 A K S < S+ 0 0 63 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.704 74.9 118.2 59.7 24.5 14.1 14.5 11.5 39 49 A T S S+ 0 0 69 1,-0.1 103,-2.1 102,-0.0 2,-0.3 0.541 75.8 18.5 -95.1 -15.3 16.2 15.3 8.5 40 50 A C E - D 0 141A 8 101,-0.2 -5,-2.9 -5,-0.1 2,-0.4 -0.988 64.1-126.7-154.8 172.1 16.7 11.7 7.5 41 51 A L E -CD 34 140A 0 99,-2.0 99,-2.5 -2,-0.3 2,-0.4 -0.942 20.5-155.5-119.0 129.5 15.6 8.0 7.8 42 52 A Y E +CD 33 139A 51 -9,-3.0 -9,-2.4 -2,-0.4 2,-0.3 -0.816 26.0 139.0-106.9 144.4 17.7 5.1 8.7 43 53 A G E - D 0 138A 5 95,-1.9 95,-1.7 -2,-0.4 2,-0.3 -0.916 33.1-131.3-156.4-171.9 17.3 1.5 7.9 44 54 A H E - D 0 137A 46 -13,-0.4 93,-0.3 -2,-0.3 2,-0.2 -0.947 8.6-155.7-154.9 140.8 19.1 -1.6 6.9 45 55 A F E - D 0 136A 6 91,-2.0 91,-2.4 -2,-0.3 2,-0.3 -0.541 34.8-101.0 -98.0 168.3 18.7 -4.2 4.2 46 56 A A E > - D 0 135A 47 89,-0.2 3,-1.4 -2,-0.2 89,-0.2 -0.720 31.9-126.5 -80.2 144.5 20.0 -7.7 4.2 47 57 A R T 3 S+ 0 0 104 87,-2.5 -1,-0.1 -2,-0.3 88,-0.1 0.875 111.2 61.9 -57.7 -38.2 23.2 -7.8 2.0 48 58 A S T 3 S+ 0 0 115 86,-0.4 -1,-0.3 2,-0.1 87,-0.1 0.593 83.2 90.0 -63.1 -13.3 21.5 -10.7 -0.0 49 59 A N S X S- 0 0 26 -3,-1.4 3,-1.0 1,-0.1 4,-0.2 -0.805 71.1-156.7 -86.5 112.1 18.8 -8.2 -0.9 50 60 A P G > + 0 0 50 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.518 69.1 95.3 -75.6 -2.3 20.1 -6.7 -4.2 51 61 A Q G > S+ 0 0 0 1,-0.3 3,-0.7 2,-0.2 -29,-0.1 0.774 79.8 58.3 -59.5 -31.0 18.1 -3.4 -4.0 52 62 A W G X S+ 0 0 44 -3,-1.0 3,-1.6 1,-0.2 4,-0.4 0.765 84.5 83.3 -67.2 -26.7 21.0 -1.6 -2.4 53 63 A N G < S+ 0 0 97 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.758 115.2 9.2 -45.7 -38.1 23.3 -2.4 -5.4 54 64 A D G < S+ 0 0 55 -3,-0.7 -1,-0.3 -4,-0.4 -34,-0.2 -0.125 94.6 112.3-138.6 36.6 22.0 0.5 -7.4 55 65 A I X + 0 0 0 -3,-1.6 3,-0.6 -36,-0.1 41,-0.5 0.698 58.4 89.2 -86.0 -16.5 19.9 2.4 -4.8 56 66 A Q T 3 S+ 0 0 75 -4,-0.4 41,-0.1 1,-0.2 3,-0.1 -0.306 78.0 32.8 -80.5 163.0 22.2 5.5 -4.7 57 67 A H T 3 S+ 0 0 177 39,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.665 100.6 88.2 69.3 19.8 21.9 8.5 -7.0 58 68 A Q S < S- 0 0 42 -3,-0.6 2,-0.9 38,-0.1 38,-0.5 -0.987 82.9-104.6-145.5 154.7 18.1 8.4 -7.4 59 69 A T - 0 0 33 -2,-0.3 152,-0.4 36,-0.1 36,-0.2 -0.695 44.7-167.2 -82.5 107.2 15.1 9.8 -5.6 60 70 A V E - E 0 94A 0 34,-2.3 34,-1.0 -2,-0.9 2,-0.5 -0.340 12.8-127.8 -90.0 177.2 13.6 6.8 -3.8 61 71 A L E -BE 18 93A 0 -43,-2.4 -43,-2.8 32,-0.2 2,-0.6 -0.968 14.5-167.1-132.1 118.0 10.2 6.7 -2.1 62 72 A A E -BE 17 92A 0 30,-3.1 30,-3.7 -2,-0.5 2,-0.5 -0.926 10.6-163.4-108.5 126.8 9.4 5.7 1.4 63 73 A I E -BE 16 91A 0 -47,-2.6 -47,-2.2 -2,-0.6 2,-0.5 -0.930 4.0-162.8-108.1 127.4 5.7 5.0 2.1 64 74 A F E - E 0 90A 0 26,-2.7 26,-1.7 -2,-0.5 2,-0.8 -0.924 17.3-138.9-109.3 124.3 4.4 4.9 5.7 65 75 A H E - E 0 89A 40 -2,-0.5 24,-0.2 -53,-0.4 -51,-0.1 -0.747 19.8-176.2 -94.2 115.6 1.1 3.2 6.1 66 76 A G E - 0 0 5 22,-2.1 2,-0.1 -2,-0.8 112,-0.1 0.020 46.2 -59.9 -74.4-164.8 -1.5 4.7 8.4 67 77 A P E + 0 0 5 0, 0.0 21,-1.1 0, 0.0 2,-0.3 -0.465 56.5 177.3 -75.1 153.4 -4.9 3.1 9.1 68 78 A H E + E 0 87A 56 19,-0.2 19,-0.2 -2,-0.1 2,-0.2 -0.943 5.9 160.8-141.0 170.4 -7.5 2.4 6.3 69 79 A C E - E 0 86A 3 17,-1.8 17,-2.5 -2,-0.3 15,-0.0 -0.829 40.9 -86.1 179.5 161.3 -10.9 0.9 5.9 70 80 A Y E - E 0 85A 21 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.343 32.5-151.6 -67.2 142.7 -14.0 0.6 3.7 71 81 A I E - E 0 84A 0 13,-2.5 13,-1.4 -2,-0.0 -1,-0.0 -0.993 14.9-143.7-116.1 120.8 -16.7 3.2 4.3 72 82 A S > - 0 0 4 -2,-0.5 3,-2.0 11,-0.2 4,-0.1 -0.774 12.2-148.0 -93.9 129.5 -20.2 1.8 3.5 73 83 A P G > S+ 0 0 2 0, 0.0 3,-0.9 0, 0.0 5,-0.2 0.528 95.2 78.1 -63.9 -7.2 -22.8 4.1 1.9 74 84 A S G 3 S+ 0 0 59 1,-0.2 5,-0.0 235,-0.1 -2,-0.0 0.592 84.3 65.5 -78.8 -7.6 -25.3 1.9 3.8 75 85 A W G < S+ 0 0 34 -3,-2.0 -1,-0.2 2,-0.0 2,-0.1 0.592 87.3 82.0 -85.5 -13.1 -24.3 4.0 6.8 76 86 A Y S < S- 0 0 11 -3,-0.9 5,-0.1 2,-0.3 83,-0.0 -0.396 91.4-106.8 -89.7 169.3 -25.7 7.4 5.6 77 87 A E S S+ 0 0 118 -2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.514 95.3 60.9 -66.7 -6.7 -29.3 8.7 5.7 78 88 A T - 0 0 61 -5,-0.2 -2,-0.3 1,-0.1 -3,-0.0 -0.922 69.8-139.1-136.3 153.0 -29.7 8.2 2.0 79 89 A N S S+ 0 0 108 -2,-0.3 2,-1.7 1,-0.2 233,-0.2 0.741 96.0 87.6 -59.6 -28.6 -29.7 5.8 -1.0 80 90 A Q + 0 0 91 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.542 66.3 101.4 -85.9 76.3 -27.8 8.7 -2.5 81 91 A A - 0 0 4 -2,-1.7 -9,-0.0 -5,-0.1 -7,-0.0 -0.984 58.6-133.2-157.3 154.9 -24.2 8.0 -1.6 82 92 A V - 0 0 60 -2,-0.3 -2,-0.0 -10,-0.1 235,-0.0 -0.938 27.2-117.5-116.1 132.1 -21.0 6.5 -3.1 83 93 A P + 0 0 27 0, 0.0 2,-0.3 0, 0.0 -11,-0.2 -0.269 43.0 164.0 -63.3 156.7 -18.8 3.9 -1.4 84 94 A T E -E 71 0A 38 -13,-1.4 -13,-2.5 -15,-0.0 2,-0.4 -0.969 31.9-112.8-163.6 168.2 -15.2 5.0 -0.6 85 95 A W E -E 70 0A 35 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.922 17.9-147.4-114.7 141.5 -12.1 4.2 1.4 86 96 A N E +E 69 0A 0 -17,-2.5 -17,-1.8 -2,-0.4 2,-0.3 -0.876 31.9 145.0-104.1 137.9 -10.5 6.0 4.3 87 97 A Y E -EF 68 150A 34 63,-1.2 63,-0.7 -2,-0.4 2,-0.4 -0.974 36.0-140.0-156.5 173.2 -6.8 6.1 4.9 88 98 A V E + F 0 149A 18 -21,-1.1 -22,-2.1 -2,-0.3 2,-0.3 -0.987 27.7 165.9-138.0 141.7 -3.8 8.0 6.0 89 99 A A E -EF 65 148A 0 59,-2.7 59,-2.9 -2,-0.4 2,-0.5 -0.985 23.9-155.3-159.1 145.4 -0.3 7.8 4.4 90 100 A V E -EF 64 147A 3 -26,-1.7 -26,-2.7 -2,-0.3 2,-0.5 -0.989 10.2-164.0-124.4 124.7 3.0 9.6 4.3 91 101 A H E -EF 63 146A 2 55,-3.2 55,-2.4 -2,-0.5 2,-0.5 -0.937 8.4-165.2-105.7 126.0 5.3 9.4 1.2 92 102 A V E -EF 62 145A 0 -30,-3.7 -30,-3.1 -2,-0.5 2,-0.4 -0.960 1.8-166.1-114.2 124.9 8.9 10.5 1.8 93 103 A Y E +EF 61 144A 6 51,-3.0 50,-4.0 -2,-0.5 51,-1.7 -0.864 29.7 114.4-104.8 143.5 11.3 11.2 -1.1 94 104 A G E -EF 60 142A 0 -34,-1.0 -34,-2.3 -2,-0.4 2,-0.3 -0.959 57.4 -81.7-174.9-175.7 15.1 11.6 -0.7 95 105 A N E - F 0 141A 40 46,-1.0 46,-2.1 -2,-0.3 2,-0.3 -0.801 37.3-121.9-103.7 154.4 18.4 9.9 -1.8 96 106 A V E - F 0 140A 3 -41,-0.5 -39,-0.5 -38,-0.5 2,-0.4 -0.697 18.0-171.7 -91.9 141.2 20.1 7.0 -0.2 97 107 A E E - F 0 139A 80 42,-2.3 42,-2.3 -2,-0.3 2,-0.2 -0.998 24.3-133.5-120.5 123.8 23.6 6.9 1.2 98 108 A L E - F 0 138A 45 -2,-0.4 2,-0.5 40,-0.2 40,-0.3 -0.599 19.5-148.0 -73.7 143.6 24.9 3.4 2.2 99 109 A I + 0 0 11 38,-1.3 38,-0.4 -2,-0.2 -1,-0.0 -0.965 32.5 157.5-118.3 118.8 26.5 3.4 5.6 100 110 A N + 0 0 102 -2,-0.5 -1,-0.1 36,-0.1 38,-0.0 0.552 34.9 118.6-112.8 -14.5 29.4 1.1 6.4 101 111 A D > - 0 0 98 1,-0.2 4,-2.3 2,-0.1 5,-0.2 -0.317 62.3-140.2 -50.9 129.2 31.1 2.9 9.4 102 112 A Q H > S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.745 97.6 53.4 -75.8 -18.9 30.8 0.3 12.2 103 113 A G H > S+ 0 0 50 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.882 111.1 46.7 -75.2 -42.0 30.1 2.9 14.9 104 114 A E H > S+ 0 0 87 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 109.2 52.9 -66.9 -46.5 27.2 4.4 12.8 105 115 A V H X S+ 0 0 5 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.941 112.3 47.9 -48.3 -50.7 25.7 1.0 12.0 106 116 A X H X S+ 0 0 89 -4,-1.3 4,-2.4 1,-0.2 -2,-0.2 0.864 108.2 52.8 -62.4 -42.7 25.7 0.2 15.7 107 117 A Q H X S+ 0 0 108 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.938 111.3 46.7 -59.7 -46.7 24.2 3.5 16.7 108 118 A S H X S+ 0 0 19 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.752 111.1 51.0 -72.8 -23.5 21.3 3.0 14.3 109 119 A L H X S+ 0 0 28 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.9 51.7 -73.2 -37.4 20.7 -0.7 15.5 110 120 A H H X S+ 0 0 95 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.955 108.5 47.8 -57.6 -55.2 20.7 0.7 19.0 111 121 A D H X S+ 0 0 80 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.827 113.5 50.4 -58.2 -33.6 18.0 3.4 18.3 112 122 A X H >X S+ 0 0 13 -4,-1.0 4,-1.8 -5,-0.2 3,-0.6 0.937 107.9 51.0 -67.8 -49.3 16.0 0.8 16.6 113 123 A V H 3X S+ 0 0 9 -4,-2.5 4,-3.2 1,-0.3 3,-0.3 0.922 109.8 50.5 -57.6 -47.9 16.2 -1.7 19.5 114 124 A E H 3< S+ 0 0 115 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.777 108.7 54.6 -57.1 -30.1 15.1 1.0 22.0 115 125 A K H << S+ 0 0 87 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.900 120.9 25.7 -75.3 -38.2 12.2 1.7 19.7 116 126 A Y H < S+ 0 0 35 -4,-1.8 -2,-0.2 -3,-0.3 -3,-0.2 0.685 93.2 96.0-106.7 -24.6 10.9 -1.8 19.6 117 127 A E S < S- 0 0 23 -4,-3.2 7,-0.0 -5,-0.2 141,-0.0 -0.464 81.3-106.6 -65.9 144.9 11.9 -3.7 22.8 118 128 A A > - 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L 0 330B 52 49,-1.4 49,-3.0 -2,-0.3 2,-0.2 -0.919 39.9-123.0-119.3 145.9 0.9 -3.1 -17.6 282 106 B V E - L 0 329B 4 -41,-0.5 2,-0.4 -38,-0.5 47,-0.2 -0.613 19.6-169.3 -93.1 145.5 -2.1 -0.8 -17.3 283 107 B E E - L 0 328B 97 45,-2.3 45,-2.4 -2,-0.2 2,-0.5 -0.999 22.8-126.7-131.2 133.1 -5.0 -0.4 -19.7 284 108 B L E - L 0 327B 40 -2,-0.4 2,-0.6 43,-0.2 43,-0.3 -0.666 16.9-150.5 -82.4 125.9 -7.5 2.4 -19.4 285 109 B I + 0 0 8 41,-1.7 41,-0.5 -2,-0.5 -1,-0.0 -0.877 27.1 160.5 -95.9 124.1 -11.2 1.3 -19.3 286 110 B N + 0 0 107 -2,-0.6 2,-0.4 39,-0.1 -1,-0.1 0.543 38.2 103.7-121.7 -16.7 -13.5 3.8 -20.8 287 111 B D > - 0 0 86 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.581 63.9-144.8 -69.1 126.1 -16.7 1.9 -21.7 288 112 B Q H > S+ 0 0 143 -2,-0.4 4,-3.5 1,-0.2 5,-0.3 0.822 96.7 61.2 -63.5 -31.3 -19.3 2.8 -19.0 289 113 B G H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.950 110.6 38.8 -57.4 -52.2 -20.7 -0.7 -19.1 290 114 B E H > S+ 0 0 101 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.839 117.4 51.0 -66.6 -36.0 -17.4 -2.3 -18.0 291 115 B V H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.937 112.2 45.9 -65.8 -50.4 -16.8 0.7 -15.6 292 116 B X H X S+ 0 0 61 -4,-3.5 4,-2.0 2,-0.2 -2,-0.2 0.859 112.3 53.6 -56.1 -42.2 -20.3 0.2 -14.0 293 117 B Q H X S+ 0 0 88 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.946 108.7 46.2 -61.0 -51.3 -19.6 -3.5 -13.9 294 118 B S H X S+ 0 0 11 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.895 111.2 54.2 -62.5 -36.2 -16.3 -3.1 -12.0 295 119 B L H X S+ 0 0 24 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.891 107.3 50.4 -63.7 -39.1 -18.0 -0.7 -9.7 296 120 B H H X S+ 0 0 78 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.875 108.2 51.6 -62.7 -43.4 -20.8 -3.3 -8.9 297 121 B D H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.811 107.4 54.7 -63.3 -31.5 -18.2 -6.1 -8.1 298 122 B X H X S+ 0 0 20 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.921 110.1 44.8 -69.5 -47.7 -16.5 -3.7 -5.7 299 123 B V H X S+ 0 0 25 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.939 111.6 54.2 -59.7 -49.9 -19.8 -3.1 -3.8 300 124 B E H < S+ 0 0 137 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 111.0 45.1 -50.1 -52.8 -20.5 -6.8 -3.8 301 125 B K H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 121.7 34.5 -63.3 -36.2 -17.1 -7.6 -2.3 302 126 B Y H < S+ 0 0 39 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.659 92.7 93.3-102.8 -18.7 -17.1 -5.0 0.5 303 127 B E S < S- 0 0 23 -4,-2.6 -231,-0.0 -5,-0.2 -233,-0.0 -0.540 84.4-101.3 -74.5 146.5 -20.7 -4.6 1.6 304 128 B A > - 0 0 64 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.182 31.5-109.3 -61.3 154.8 -21.8 -6.7 4.6 305 129 B P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.832 117.8 58.3 -60.3 -27.2 -23.9 -9.9 3.8 306 130 B G T 3 S+ 0 0 67 2,-0.0 -3,-0.0 0, 0.0 -2,-0.0 0.852 82.5 136.0 -48.8 -39.2 -26.9 -8.1 5.3 307 131 B S < - 0 0 39 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 0.545 38.0-179.7 -68.0 163.6 -26.8 -5.3 3.0 308 132 B R + 0 0 237 2,-0.1 2,-0.4 -234,-0.0 -1,-0.1 0.244 44.5 126.9-122.2 8.0 -29.6 -3.6 1.1 309 133 B Y + 0 0 40 -10,-0.1 2,-0.2 2,-0.0 -235,-0.1 -0.570 34.8 168.1 -80.4 126.9 -27.5 -1.0 -0.7 310 134 B Q - 0 0 122 -2,-0.4 2,-1.3 2,-0.1 -2,-0.1 -0.576 53.9 -83.4-119.4-178.6 -27.9 -0.9 -4.5 311 135 B L S S+ 0 0 100 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 -0.626 72.3 143.5 -76.6 61.1 -27.3 1.0 -7.7 312 136 B S + 0 0 65 -2,-1.3 2,-0.3 -233,-0.2 -1,-0.1 -0.477 34.3 91.5-111.6 58.8 -30.4 3.1 -6.8 313 137 B E 0 0 26 -2,-0.3 -233,-0.0 -233,-0.1 -2,-0.0 -0.976 360.0 360.0-143.5 165.2 -29.3 6.5 -8.2 314 138 B V 0 0 122 -2,-0.3 3,-1.2 3,-0.1 4,-0.7 -0.012 360.0 360.0 -46.1 360.0 -29.7 8.5 -11.4 315 ! 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 0.0 316 142 B X > 0 0 102 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -53.4 -25.4 11.7 -9.7 317 143 B L H > + 0 0 27 -3,-1.2 4,-0.8 2,-0.2 -3,-0.1 0.853 360.0 48.2 -78.0 -40.6 -24.1 8.4 -11.2 318 144 B S H >> S+ 0 0 66 -4,-0.7 4,-0.8 2,-0.2 3,-0.6 0.930 112.9 47.7 -62.9 -49.5 -23.1 10.1 -14.4 319 145 B G H >4 S+ 0 0 46 1,-0.2 3,-1.0 2,-0.2 -2,-0.2 0.910 108.4 53.6 -59.1 -47.8 -21.3 12.9 -12.6 320 146 B X H >< S+ 0 0 41 -4,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.762 108.0 54.0 -54.8 -27.4 -19.4 10.6 -10.3 321 147 B N H X< S+ 0 0 30 -4,-0.8 3,-0.5 -3,-0.6 -1,-0.2 0.650 99.7 56.5 -92.3 -19.5 -18.2 8.8 -13.4 322 148 B K T << S+ 0 0 154 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.285 104.9 58.8 -87.8 7.1 -16.8 11.8 -15.1 323 149 B G T < S+ 0 0 34 -3,-0.6 -90,-2.5 -5,-0.1 -89,-0.3 0.324 101.2 60.9-116.5 0.7 -14.7 12.2 -12.0 324 150 B I E < -J 232 0B 20 -3,-0.5 2,-0.4 -92,-0.3 -92,-0.2 -0.907 63.2-147.1-127.8 156.9 -13.0 8.8 -12.1 325 151 B Q E -J 231 0B 4 -94,-1.9 -94,-1.9 -2,-0.3 -39,-0.1 -0.906 20.0-153.7-123.6 103.9 -10.7 7.0 -14.5 326 152 B A E +J 230 0B 3 -41,-0.5 -41,-1.7 -2,-0.4 2,-0.3 -0.390 20.6 169.0 -73.8 151.4 -11.1 3.2 -14.5 327 153 B F E -JL 229 284B 1 -98,-2.3 -98,-2.3 -43,-0.3 2,-0.3 -0.968 25.6-139.5-158.5 171.8 -8.3 0.9 -15.5 328 154 B K E -JL 228 283B 49 -45,-2.4 -45,-2.3 -2,-0.3 2,-0.6 -0.964 12.6-141.6-136.5 137.4 -7.1 -2.7 -15.6 329 155 B I E -JL 227 282B 0 -102,-3.3 -102,-1.5 -2,-0.3 2,-0.8 -0.931 13.5-145.4-103.6 116.7 -3.7 -4.2 -14.8 330 156 B I E -JL 226 281B 43 -49,-3.0 -49,-1.4 -2,-0.6 -104,-0.2 -0.722 27.4-130.4 -78.4 112.7 -2.7 -7.1 -17.1 331 157 B I E + L 0 280B 29 -106,-1.8 -51,-0.2 -2,-0.8 3,-0.1 -0.387 38.1 165.1 -69.2 132.7 -0.7 -9.4 -14.7 332 158 B K E + 0 0 130 -53,-2.8 2,-0.3 1,-0.5 -52,-0.2 0.688 66.4 1.6-113.6 -34.6 2.7 -10.6 -15.9 333 159 B R E - L 0 279B 90 -54,-1.3 -54,-2.4 2,-0.0 -1,-0.5 -0.993 54.3-154.5-158.5 147.2 4.2 -11.9 -12.8 334 160 B I E - L 0 278B 48 -2,-0.3 2,-0.4 -56,-0.2 -56,-0.2 -0.998 9.9-170.0-127.1 127.7 3.4 -12.4 -9.1 335 161 B E E - L 0 277B 55 -58,-2.6 -58,-3.3 -2,-0.4 2,-0.3 -0.989 9.4-152.3-119.0 129.0 6.1 -12.5 -6.3 336 162 B G E - L 0 276B 22 -2,-0.4 2,-0.4 -60,-0.2 -60,-0.2 -0.743 8.5-161.4 -94.1 147.1 5.2 -13.5 -2.8 337 163 B K E + L 0 275B 48 -62,-3.3 -62,-2.7 -2,-0.3 2,-0.3 -1.000 14.9 169.9-133.1 128.5 7.3 -12.2 0.1 338 164 B A E + L 0 274B 42 -2,-0.4 2,-0.4 -64,-0.2 -64,-0.2 -0.989 20.7 178.2-143.7 131.5 7.3 -13.8 3.5 339 165 B K E + L 0 273B 105 -66,-3.4 -66,-1.8 -2,-0.3 -2,-0.0 -0.904 25.8 144.4-126.6 108.4 9.4 -13.5 6.7 340 166 B L - 0 0 21 -2,-0.4 -68,-0.1 -68,-0.2 -1,-0.1 0.209 64.3-111.5-131.1 9.7 8.0 -15.9 9.3 341 167 B S > + 0 0 9 -70,-0.2 3,-0.6 1,-0.1 -2,-0.1 0.922 60.2 152.7 56.4 49.5 11.1 -17.0 11.2 342 168 B Q T 3 + 0 0 126 1,-0.2 -1,-0.1 7,-0.0 7,-0.1 0.248 57.9 77.1 -89.9 9.0 10.9 -20.6 9.9 343 169 B N T 3 S+ 0 0 159 2,-0.1 -1,-0.2 6,-0.0 -2,-0.1 0.233 78.4 82.3-102.7 8.0 14.7 -20.9 10.3 344 170 B H S < S- 0 0 34 -3,-0.6 5,-0.1 1,-0.1 -77,-0.0 -0.860 88.8-105.2-105.1 149.4 14.5 -21.3 14.1 345 171 B P > - 0 0 73 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.007 44.3 -78.1 -68.2-179.0 13.7 -24.8 15.4 346 172 B A H >> S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 3,-1.2 0.906 124.2 40.1 -39.1 -77.8 10.4 -26.0 16.9 347 173 B H H 3> S+ 0 0 89 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.850 112.1 56.7 -48.2 -45.5 10.4 -24.6 20.5 348 174 B R H 3> S+ 0 0 14 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.847 116.7 36.9 -57.8 -35.9 11.9 -21.2 19.4 349 175 B Q H X S+ 0 0 68 -4,-1.9 4,-0.9 1,-0.2 3,-0.5 0.955 112.9 48.6 -54.8 -51.4 4.1 -14.6 23.1 356 182 B L H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 5,-0.3 0.883 111.6 47.9 -55.4 -44.3 2.5 -13.3 19.9 357 183 B E H 3< S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.724 103.4 60.1 -78.9 -18.4 -1.0 -14.6 20.7 358 184 B Q H << S+ 0 0 151 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.739 89.1 97.0 -72.9 -21.3 -1.0 -13.3 24.2 359 185 B X S << S- 0 0 48 -4,-0.9 2,-1.0 -3,-0.6 6,-0.1 -0.467 78.9-133.2 -74.1 137.3 -0.6 -9.8 22.6 360 186 B P + 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.177 69.6 109.2 -83.0 42.3 -3.7 -7.7 22.1 361 187 B F > - 0 0 103 -2,-1.0 4,-2.3 -5,-0.3 3,-0.4 -0.972 66.3-140.5-132.4 132.1 -2.9 -6.8 18.5 362 188 B E H > S+ 0 0 53 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.885 102.8 52.2 -48.3 -46.5 -4.4 -7.8 15.2 363 189 B N H > S+ 0 0 41 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.901 109.4 46.7 -64.6 -41.1 -1.0 -8.0 13.5 364 190 B E H > S+ 0 0 29 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.884 113.7 47.8 -68.0 -42.4 0.7 -10.3 16.0 365 191 B K H X S+ 0 0 92 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.894 112.1 51.4 -64.9 -39.1 -2.3 -12.7 16.2 366 192 B R H >X S+ 0 0 83 -4,-2.4 4,-1.8 -5,-0.3 3,-0.8 0.977 112.2 45.1 -62.8 -49.9 -2.3 -12.7 12.4 367 193 B I H 3X S+ 0 0 0 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.899 108.6 59.1 -54.9 -41.1 1.4 -13.5 12.3 368 194 B A H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 105.7 47.5 -61.3 -31.5 0.8 -16.1 15.0 369 195 B S H << S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.952 107.9 53.6 -73.3 -51.1 -1.7 -18.0 12.8 370 196 B L H < S+ 0 0 80 -4,-1.8 2,-2.4 1,-0.2 -1,-0.2 0.661 86.4 89.0 -54.3 -23.3 0.5 -18.0 9.8 371 197 B X < 0 0 9 -4,-1.1 -1,-0.2 -5,-0.2 -18,-0.1 -0.338 360.0 360.0 -78.7 61.0 3.1 -19.5 12.0 372 198 B K 0 0 182 -2,-2.4 -1,-0.1 0, 0.0 -3,-0.0 -0.557 360.0 360.0-130.8 360.0 1.9 -23.1 11.2