==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-AUG-03 1Q5K . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.BHAT,Y.XUE,S.BERG,S.HELLBERG,M.ORMO,Y.NILSSON, . 689 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32661.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 6 2 1 2 1 0 4 0 2 0 0 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 6 2 0 3 4 3 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 2 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 35 A S 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.1 19.6 3.2 12.7 2 36 A K - 0 0 168 23,-0.1 2,-0.5 1,-0.1 22,-0.5 -0.273 360.0-149.9 -58.2 136.0 16.1 4.4 13.5 3 37 A V - 0 0 86 20,-0.1 2,-0.5 21,-0.1 20,-0.2 -0.953 8.1-160.3-112.6 120.9 13.9 5.0 10.4 4 38 A T E -A 22 0A 40 18,-2.8 18,-2.4 -2,-0.5 2,-0.5 -0.881 5.3-169.2-104.3 128.7 11.3 7.7 10.7 5 39 A T E +A 21 0A 86 -2,-0.5 2,-0.3 16,-0.2 16,-0.2 -0.969 13.8 164.0-119.9 129.1 8.4 7.7 8.2 6 40 A V E -A 20 0A 29 14,-2.9 14,-3.5 -2,-0.5 2,-0.8 -0.890 42.0-116.2-137.1 166.2 6.0 10.6 7.9 7 41 A V E -A 19 0A 93 -2,-0.3 2,-0.3 12,-0.2 76,-0.3 -0.915 46.1-176.8-106.5 103.7 3.3 12.0 5.6 8 42 A A E -A 18 0A 0 10,-2.3 10,-2.6 -2,-0.8 74,-0.2 -0.769 25.0-128.7-108.5 151.0 4.8 15.2 4.4 9 43 A T E -B 81 0A 18 72,-2.6 72,-1.2 -2,-0.3 6,-0.1 -0.826 33.0-111.2 -97.8 127.4 3.5 18.0 2.1 10 44 A P E -B 80 0A 26 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.233 21.4-128.2 -55.1 142.5 5.7 19.1 -0.7 11 45 A G S S+ 0 0 1 68,-2.2 2,-0.2 67,-0.2 68,-0.2 0.907 89.9 30.2 -60.2 -44.5 7.0 22.6 -0.3 12 46 A Q S S+ 0 0 58 67,-0.3 57,-0.1 66,-0.2 56,-0.0 -0.612 102.3 30.8-111.2 172.7 5.9 23.8 -3.7 13 47 A G S S- 0 0 56 -2,-0.2 0, 0.0 55,-0.2 0, 0.0 -0.189 103.7 -16.4 75.5-172.7 3.0 22.8 -6.0 14 48 A P S S- 0 0 96 0, 0.0 2,-2.1 0, 0.0 -2,-0.1 -0.260 76.7 -97.3 -64.7 150.4 -0.4 21.5 -4.8 15 49 A D + 0 0 79 -6,-0.1 -2,-0.1 1,-0.1 -4,-0.1 -0.464 68.2 144.4 -71.0 81.1 -1.0 20.3 -1.3 16 50 A R - 0 0 178 -2,-2.1 -1,-0.1 -6,-0.1 -8,-0.1 -0.752 38.0-150.4-124.8 83.3 -0.6 16.6 -2.0 17 51 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.042 14.2-170.5 -50.5 148.9 1.1 14.9 0.9 18 52 A Q E -A 8 0A 88 -10,-2.6 -10,-2.3 -12,-0.0 2,-0.3 -0.964 31.7 -95.3-141.6 156.2 3.3 11.8 0.3 19 53 A E E -A 7 0A 157 -2,-0.3 2,-0.4 -12,-0.2 -12,-0.2 -0.588 43.8-174.6 -75.4 130.2 4.9 9.3 2.6 20 54 A V E -A 6 0A 15 -14,-3.5 -14,-2.9 -2,-0.3 2,-0.4 -0.995 7.1-165.8-131.3 129.2 8.6 10.2 3.3 21 55 A S E +A 5 0A 37 -2,-0.4 21,-1.6 -16,-0.2 22,-0.6 -0.898 13.6 165.2-115.0 143.6 11.1 8.2 5.2 22 56 A Y E +AC 4 41A 24 -18,-2.4 -18,-2.8 -2,-0.4 2,-0.2 -0.957 5.9 173.9-149.2 167.4 14.4 9.3 6.5 23 57 A T E + C 0 40A 17 17,-2.2 17,-2.8 -2,-0.3 -20,-0.1 -0.817 48.1 73.1-155.6-167.1 17.2 8.3 8.9 24 58 A D E - 0 0 65 -22,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.893 65.5-169.7 50.4 47.9 20.7 9.0 10.4 25 59 A T E + 0 0 70 -23,-0.3 2,-0.3 14,-0.1 14,-0.2 -0.485 12.8 167.0 -73.2 133.5 19.3 12.0 12.3 26 60 A K E - C 0 38A 125 12,-2.1 12,-3.2 -2,-0.2 2,-0.3 -0.980 39.1-104.9-143.7 151.2 21.9 14.3 13.9 27 61 A V E + C 0 37A 86 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.636 30.3 178.4 -80.5 132.5 21.7 17.7 15.5 28 62 A I E - 0 0 82 8,-3.3 2,-0.3 1,-0.3 9,-0.2 0.749 66.0 -22.3-100.7 -37.0 23.1 20.5 13.3 29 63 A G E - C 0 36A 28 7,-1.6 7,-2.7 2,-0.0 2,-0.7 -0.881 51.3-129.3-175.8 142.2 22.4 23.5 15.5 30 64 A N E - C 0 35A 127 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.888 32.7-176.8-102.1 115.0 20.2 24.6 18.4 31 65 A G E > - C 0 34A 47 3,-2.9 3,-1.3 -2,-0.7 -2,-0.0 -0.640 39.5-108.3-106.4 167.1 18.5 27.9 17.7 32 66 A S T 3 S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.925 120.1 43.4 -58.8 -46.1 16.2 30.0 19.9 33 67 A F T 3 S- 0 0 67 1,-0.2 2,-0.3 20,-0.1 21,-0.3 0.297 130.7 -53.5 -85.4 11.8 13.2 29.2 17.8 34 68 A G E < -C 31 0A 20 -3,-1.3 -3,-2.9 19,-0.1 2,-0.3 -0.880 62.5 -66.7 146.4-178.8 14.0 25.5 17.5 35 69 A V E -CD 30 52A 29 17,-1.4 17,-3.1 -2,-0.3 2,-0.5 -0.823 30.3-146.2-110.6 148.3 16.5 22.9 16.5 36 70 A V E -CD 29 51A 40 -7,-2.7 -8,-3.3 -2,-0.3 -7,-1.6 -0.959 19.8-169.6-114.6 129.0 17.9 22.0 13.1 37 71 A Y E -CD 27 50A 59 13,-2.4 13,-2.5 -2,-0.5 2,-0.4 -0.763 18.1-135.4-115.5 160.8 18.7 18.4 12.3 38 72 A Q E +CD 26 49A 23 -12,-3.2 -12,-2.1 -2,-0.3 2,-0.3 -0.917 33.1 168.0-111.6 142.1 20.5 16.7 9.5 39 73 A A E - D 0 48A 0 9,-2.4 9,-2.7 -2,-0.4 2,-0.5 -0.956 31.0-124.7-149.0 165.9 18.9 13.5 8.1 40 74 A K E -CD 23 47A 85 -17,-2.8 -17,-2.2 -2,-0.3 2,-0.5 -0.972 23.9-127.7-121.0 124.0 19.2 11.2 5.1 41 75 A L E > -C 22 0A 11 5,-2.8 4,-3.0 -2,-0.5 -19,-0.3 -0.564 11.0-149.2 -71.1 119.1 16.2 10.5 2.8 42 76 A C T 4 S+ 0 0 62 -21,-1.6 -1,-0.2 -2,-0.5 -20,-0.1 0.836 93.8 57.4 -55.9 -35.2 15.8 6.7 2.6 43 77 A D T 4 S+ 0 0 159 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.968 128.3 5.1 -61.7 -60.1 14.5 7.2 -0.9 44 78 A S T 4 S- 0 0 55 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.644 88.3-123.3-103.9 -20.3 17.4 9.0 -2.6 45 79 A G < + 0 0 27 -4,-3.0 -3,-0.1 1,-0.3 -2,-0.0 0.384 61.7 146.6 89.6 -5.6 20.1 9.1 0.0 46 80 A E - 0 0 84 -5,-0.2 -5,-2.8 -6,-0.1 -1,-0.3 -0.343 49.4-122.4 -64.3 144.8 20.1 12.8 -0.3 47 81 A L E -D 40 0A 69 -7,-0.2 52,-1.0 52,-0.1 2,-0.3 -0.672 34.2-179.0 -89.3 145.2 20.9 14.7 3.0 48 82 A V E -DE 39 98A 1 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.4 -0.930 24.8-125.4-139.5 163.2 18.4 17.2 4.2 49 83 A A E -DE 38 97A 10 48,-2.6 48,-3.5 -2,-0.3 2,-0.5 -0.900 17.7-157.6-109.8 139.5 18.0 19.6 7.1 50 84 A I E -DE 37 96A 4 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.6 -0.944 2.4-161.4-122.3 109.5 14.9 19.4 9.3 51 85 A K E -DE 36 95A 18 44,-2.5 44,-3.0 -2,-0.5 2,-0.6 -0.811 10.7-162.8 -90.8 119.6 14.1 22.6 11.2 52 86 A K E +DE 35 94A 55 -17,-3.1 -17,-1.4 -2,-0.6 2,-0.4 -0.911 13.9 170.7-111.5 116.3 11.7 21.8 14.0 53 87 A V E - E 0 93A 9 40,-2.4 40,-3.1 -2,-0.6 2,-0.2 -0.952 39.5-107.0-126.4 145.4 9.8 24.6 15.7 54 88 A L E - E 0 92A 74 -2,-0.4 2,-0.5 -21,-0.3 38,-0.2 -0.499 41.0-162.3 -66.7 128.2 6.9 24.5 18.3 55 89 A Q - 0 0 32 36,-3.2 36,-0.4 -2,-0.2 2,-0.4 -0.967 12.5-147.0-123.3 126.5 3.7 25.5 16.4 56 90 A D - 0 0 100 -2,-0.5 3,-0.1 1,-0.1 34,-0.1 -0.740 18.5-133.7 -88.0 135.4 0.5 26.7 18.0 57 91 A K S S+ 0 0 193 -2,-0.4 2,-1.1 1,-0.2 -1,-0.1 0.691 92.0 75.8 -62.5 -21.1 -2.6 25.6 16.1 58 92 A R S S+ 0 0 197 1,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.564 100.1 22.9 -99.3 75.0 -4.2 29.0 16.2 59 93 A F S S- 0 0 141 -2,-1.1 2,-0.2 -3,-0.1 -3,-0.1 -0.261 85.1-102.3 140.5 135.8 -2.2 30.9 13.6 60 94 A K - 0 0 165 -2,-0.1 2,-0.5 1,-0.1 -3,-0.0 -0.496 40.6-103.6 -79.2 145.0 -0.2 29.9 10.6 61 95 A N > - 0 0 27 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.558 25.5-154.1 -71.4 118.8 3.6 29.8 10.7 62 96 A R H > S+ 0 0 91 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.847 91.8 54.4 -63.0 -37.9 5.0 32.8 8.9 63 97 A E H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.946 109.8 48.9 -61.8 -46.8 8.3 31.2 8.0 64 98 A L H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.910 110.8 49.2 -58.4 -46.3 6.5 28.3 6.4 65 99 A Q H X S+ 0 0 80 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.894 113.3 47.0 -64.2 -38.2 4.2 30.5 4.4 66 100 A I H >X S+ 0 0 14 -4,-2.3 3,-1.2 1,-0.2 4,-0.9 0.945 112.2 49.6 -68.7 -45.9 7.1 32.6 3.1 67 101 A M H 3< S+ 0 0 4 -4,-2.8 3,-0.4 1,-0.3 11,-0.3 0.831 100.6 62.9 -63.5 -33.5 9.2 29.6 2.2 68 102 A R H 3< S+ 0 0 50 -4,-2.1 -1,-0.3 1,-0.2 -55,-0.2 0.738 106.7 47.5 -64.4 -19.2 6.5 27.9 0.3 69 103 A K H << S+ 0 0 142 -3,-1.2 2,-0.2 -4,-0.5 -1,-0.2 0.710 93.1 92.4 -92.6 -23.4 6.5 30.9 -2.1 70 104 A L < + 0 0 9 -4,-0.9 8,-0.3 -3,-0.4 2,-0.2 -0.529 37.8 163.7 -81.0 139.4 10.3 31.1 -2.7 71 105 A D + 0 0 114 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.705 23.9 130.6-152.5 90.8 12.1 29.4 -5.6 72 106 A H > - 0 0 18 3,-0.3 3,-1.7 -2,-0.2 61,-0.0 -0.997 60.2-123.4-148.0 143.6 15.6 30.6 -6.3 73 107 A C T 3 S+ 0 0 39 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.723 111.6 50.7 -59.2 -22.9 19.0 29.0 -6.8 74 108 A N T 3 S+ 0 0 2 88,-0.1 89,-2.5 2,-0.1 2,-0.4 0.027 98.5 75.4-106.3 27.6 20.5 31.0 -4.0 75 109 A I B < S-g 163 0B 5 -3,-1.7 -3,-0.3 87,-0.3 89,-0.2 -0.998 91.5-103.0-137.4 132.5 17.9 30.3 -1.3 76 110 A V - 0 0 6 87,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.295 42.9-122.3 -56.7 130.9 17.6 27.0 0.6 77 111 A R - 0 0 97 -4,-0.1 21,-1.5 -6,-0.1 2,-0.9 -0.582 6.7-135.2 -83.2 135.5 14.7 25.0 -0.9 78 112 A L E + F 0 97A 3 -11,-0.3 19,-0.3 -8,-0.3 -67,-0.2 -0.801 26.5 177.1 -86.5 108.0 11.8 23.8 1.3 79 113 A R E - 0 0 32 17,-2.7 -68,-2.2 -2,-0.9 -67,-0.3 0.918 60.6 -25.0 -78.6 -47.3 11.4 20.2 0.1 80 114 A Y E -BF 10 96A 42 16,-1.5 16,-3.4 -70,-0.3 2,-0.3 -0.939 52.3-152.2-155.1 173.0 8.5 19.2 2.5 81 115 A F E +BF 9 95A 9 -72,-1.2 -72,-2.6 -2,-0.3 2,-0.3 -0.971 18.7 165.6-150.9 152.1 7.0 20.1 5.8 82 116 A F E - F 0 94A 7 12,-1.7 12,-3.0 -2,-0.3 2,-0.3 -0.974 29.5-111.9-161.1 166.7 5.0 18.0 8.3 83 117 A Y E + F 0 93A 125 -76,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.856 33.2 164.2-112.7 147.2 3.7 18.0 11.9 84 118 A S E F 0 92A 34 8,-1.9 8,-3.5 -2,-0.3 -78,-0.0 -0.922 360.0 360.0-148.9 170.6 4.8 15.8 14.8 85 119 A S 0 0 100 -2,-0.3 6,-0.2 6,-0.2 4,-0.1 -0.950 360.0 360.0-114.9 360.0 4.5 15.7 18.6 86 ! 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 87 122 A K 0 0 174 0, 0.0 2,-2.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 128.7 5.5 16.9 25.3 88 123 A K + 0 0 163 1,-0.3 -4,-0.0 2,-0.2 0, 0.0 -0.342 360.0 57.1 63.0 -72.3 2.5 15.4 23.4 89 124 A D S S+ 0 0 138 -2,-2.2 2,-0.5 -4,-0.1 -1,-0.3 0.680 96.6 88.1 -62.8 -12.1 -0.0 18.3 23.8 90 125 A E - 0 0 71 -34,-0.1 2,-0.4 -36,-0.0 -2,-0.2 -0.752 69.9-154.3 -91.6 128.6 2.7 20.2 22.0 91 126 A V - 0 0 58 -2,-0.5 -36,-3.2 -36,-0.4 2,-0.4 -0.870 4.8-154.4-107.0 136.6 2.7 20.2 18.2 92 127 A Y E -EF 54 84A 64 -8,-3.5 -8,-1.9 -2,-0.4 2,-0.5 -0.891 8.4-144.6-113.1 137.3 5.8 20.7 16.1 93 128 A L E -EF 53 83A 0 -40,-3.1 -40,-2.4 -2,-0.4 2,-0.5 -0.839 19.2-157.0 -94.9 132.5 6.1 22.1 12.6 94 129 A N E -EF 52 82A 4 -12,-3.0 -12,-1.7 -2,-0.5 2,-0.6 -0.956 4.0-161.1-116.7 119.0 9.0 20.3 10.7 95 130 A L E -EF 51 81A 0 -44,-3.0 -44,-2.5 -2,-0.5 2,-0.8 -0.880 6.3-154.4-101.1 119.9 10.5 22.1 7.7 96 131 A V E +EF 50 80A 6 -16,-3.4 -17,-2.7 -2,-0.6 -16,-1.5 -0.852 26.4 172.3 -97.2 111.6 12.5 19.7 5.4 97 132 A L E -EF 49 78A 15 -48,-3.5 -48,-2.6 -2,-0.8 -19,-0.2 -0.684 40.9 -85.9-115.1 165.9 15.1 21.8 3.7 98 133 A D E -E 48 0A 22 -21,-1.5 2,-0.5 -2,-0.2 -50,-0.2 -0.461 46.6-128.3 -66.3 145.1 18.0 21.2 1.4 99 134 A Y - 0 0 65 -52,-1.0 -52,-0.1 -2,-0.1 -1,-0.1 -0.856 22.7-167.3 -98.7 131.5 21.1 20.4 3.4 100 135 A V - 0 0 17 -2,-0.5 55,-0.1 1,-0.1 54,-0.1 -0.983 19.2-135.9-119.2 130.5 24.2 22.5 2.6 101 136 A P S S+ 0 0 52 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.852 75.1 20.6 -51.3 -48.4 27.6 21.4 4.1 102 137 A E E -H 154 0B 50 52,-2.5 52,-2.6 4,-0.0 2,-0.3 -0.600 59.2-141.6-121.8-179.6 29.0 24.7 5.3 103 138 A T E > -H 153 0B 25 50,-0.3 4,-2.3 -2,-0.2 50,-0.2 -0.950 30.8-117.0-137.4 156.9 28.3 28.3 6.3 104 139 A V H > S+ 0 0 4 48,-2.7 4,-2.6 45,-0.8 5,-0.3 0.853 116.2 58.9 -62.5 -32.8 30.1 31.5 5.6 105 140 A Y H > S+ 0 0 93 44,-1.4 4,-2.0 47,-0.3 -1,-0.2 0.960 108.6 41.7 -59.3 -54.7 30.5 31.8 9.4 106 141 A R H > S+ 0 0 116 2,-0.2 4,-1.7 43,-0.2 -2,-0.2 0.904 116.8 47.9 -61.3 -45.3 32.4 28.5 9.7 107 142 A V H X S+ 0 0 28 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.915 112.4 48.2 -63.6 -44.5 34.5 29.1 6.6 108 143 A A H X S+ 0 0 23 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.868 108.6 55.6 -63.7 -36.6 35.5 32.6 7.6 109 144 A R H X S+ 0 0 77 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.890 103.8 55.4 -63.5 -39.3 36.3 31.3 11.1 110 145 A H H X S+ 0 0 111 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.963 112.9 40.2 -57.9 -53.6 38.7 28.8 9.5 111 146 A Y H <>S+ 0 0 50 -4,-1.9 5,-2.9 1,-0.2 -2,-0.2 0.934 112.6 55.6 -61.7 -46.1 40.6 31.5 7.7 112 147 A S H ><5S+ 0 0 62 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.901 110.8 45.2 -52.2 -45.5 40.5 33.9 10.6 113 148 A R H 3<5S+ 0 0 175 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.859 107.8 57.1 -68.1 -36.3 42.1 31.2 12.8 114 149 A A T 3<5S- 0 0 44 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.310 115.8-116.3 -78.0 10.3 44.7 30.4 10.2 115 150 A K T < 5S+ 0 0 191 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.838 82.4 109.2 57.7 32.7 45.7 34.1 10.3 116 151 A Q < - 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0 0 81 -425,-0.1 2,-0.3 1,-0.0 -425,-0.0 -0.096 360.0 -57.1-138.9-122.7 4.1 42.0 17.4 604 292 B K - 0 0 107 -2,-0.1 -1,-0.0 2,-0.0 0, 0.0 -0.906 21.5-158.5-140.3 166.6 4.1 38.3 18.5 605 293 B F 0 0 42 -2,-0.3 -16,-0.0 -25,-0.0 -28,-0.0 -0.984 360.0 360.0-147.0 131.7 6.0 35.4 20.1 606 294 B P 0 0 108 0, 0.0 -552,-0.1 0, 0.0 -17,-0.0 -0.084 360.0 360.0 -67.9 360.0 5.6 31.6 19.8 607 ! 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 0.0 608 298 B A 0 0 117 0, 0.0 -22,-0.2 0, 0.0 -23,-0.1 0.000 360.0 360.0 360.0 77.3 8.9 27.0 29.5 609 299 B H - 0 0 92 -24,-4.7 -21,-0.1 1,-0.2 5,-0.1 -0.960 360.0-161.3-119.6 115.1 11.2 27.2 32.6 610 300 B P - 0 0 68 0, 0.0 -1,-0.2 0, 0.0 -22,-0.0 0.949 40.8-103.3 -54.7 -91.7 9.6 28.1 35.9 611 301 B W S >> S+ 0 0 37 4,-0.1 3,-1.2 -24,-0.0 4,-0.7 0.098 112.9 65.7-170.5 -38.0 12.4 29.3 38.2 612 302 B T T 34 S+ 0 0 115 1,-0.3 7,-0.1 2,-0.2 12,-0.0 0.270 104.0 52.2 -82.8 12.6 13.1 26.4 40.5 613 303 B K T 34 S+ 0 0 159 0, 0.0 -1,-0.3 0, 0.0 3,-0.0 0.232 94.9 71.3-126.9 6.4 14.2 24.5 37.4 614 304 B V T <4 S+ 0 0 24 -3,-1.2 2,-0.2 2,-0.1 -2,-0.2 0.850 92.7 52.5 -91.7 -41.1 16.7 27.1 36.2 615 305 B F S < S- 0 0 19 -4,-0.7 -49,-0.1 1,-0.2 4,-0.1 -0.517 95.1 -80.5 -99.4 165.9 19.5 26.8 38.8 616 306 B R > - 0 0 92 -51,-0.3 3,-1.8 -2,-0.2 -1,-0.2 -0.117 53.9 -93.8 -58.3 157.0 21.5 23.9 40.2 617 307 B P T 3 S+ 0 0 124 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.848 118.7 42.0 -35.9 -66.7 20.0 21.6 42.8 618 308 B R T 3 S+ 0 0 196 2,-0.0 -2,-0.1 3,-0.0 0, 0.0 0.116 77.9 141.2 -80.2 24.1 21.2 23.2 46.1 619 309 B T < - 0 0 13 -3,-1.8 5,-0.1 1,-0.1 -4,-0.1 -0.478 64.1-101.6 -67.6 130.5 20.6 26.8 45.0 620 310 B P >> - 0 0 27 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.270 22.6-135.5 -54.8 131.5 19.3 28.8 48.0 621 311 B P H 3> S+ 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.885 105.4 55.7 -55.6 -41.5 15.5 29.3 47.8 622 312 B E H 3> S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 27,-0.3 0.814 102.7 56.2 -62.8 -31.2 15.9 32.9 48.8 623 313 B A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.914 109.5 45.5 -66.7 -42.7 18.3 33.5 45.9 624 314 B I H X S+ 0 0 21 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.878 112.1 51.9 -67.0 -39.0 15.7 32.2 43.4 625 315 B A H X S+ 0 0 38 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.924 109.6 49.6 -63.8 -44.9 13.0 34.3 45.1 626 316 B L H >X S+ 0 0 0 -4,-2.5 4,-1.0 1,-0.2 3,-0.8 0.946 108.9 52.1 -60.1 -48.4 15.2 37.4 44.8 627 317 B C H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-1.0 0.926 108.0 51.7 -53.6 -47.2 15.8 36.7 41.1 628 318 B S H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 110.5 48.3 -63.5 -24.9 12.1 36.4 40.4 629 319 B R H << S+ 0 0 91 -4,-1.2 10,-1.9 -3,-0.8 -1,-0.3 0.542 115.2 44.2 -92.5 -9.3 11.4 39.7 42.1 630 320 B L H << S+ 0 0 0 -3,-1.0 2,-1.5 -4,-1.0 -2,-0.2 0.822 108.3 57.4 -96.6 -44.8 14.1 41.6 40.2 631 321 B L S < S+ 0 0 2 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.579 75.3 141.0 -90.8 73.7 13.4 40.1 36.7 632 322 B E - 0 0 56 -2,-1.5 6,-0.2 -3,-0.2 5,-0.1 -0.910 53.3-135.8-115.6 144.0 9.8 41.1 36.3 633 323 B Y S S+ 0 0 5 -2,-0.4 -93,-0.2 -46,-0.1 -1,-0.1 0.966 92.5 71.8 -60.3 -56.0 8.2 42.3 33.0 634 324 B T S >> S- 0 0 20 1,-0.2 3,-1.7 -3,-0.1 4,-0.6 -0.507 77.3-151.3 -66.0 111.3 6.4 45.2 34.6 635 325 B P G >4 S+ 0 0 16 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.893 94.2 52.6 -50.4 -48.1 9.1 47.7 35.5 636 326 B T G 34 S+ 0 0 131 1,-0.3 -2,-0.1 -39,-0.1 4,-0.1 0.633 101.7 63.4 -66.4 -12.9 7.2 49.2 38.5 637 327 B A G <4 S+ 0 0 37 -3,-1.7 -1,-0.3 -5,-0.1 3,-0.1 0.671 81.6 99.9 -85.2 -17.7 6.8 45.6 39.9 638 328 B R S << S- 0 0 10 -3,-1.4 -8,-0.2 -4,-0.6 -9,-0.1 -0.353 85.1-101.6 -69.1 148.4 10.5 45.1 40.3 639 329 B L - 0 0 18 -10,-1.9 -1,-0.1 -13,-0.2 -7,-0.1 -0.325 36.9-119.9 -63.2 152.3 12.1 45.5 43.8 640 330 B T > - 0 0 50 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.481 30.3-103.1 -86.4 165.9 13.9 48.8 44.3 641 331 B P H > S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 122.8 48.7 -57.0 -44.6 17.6 48.6 45.1 642 332 B L H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.905 110.7 51.0 -64.2 -39.3 17.0 49.3 48.8 643 333 B E H 4 S+ 0 0 69 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.863 108.1 53.2 -65.8 -34.0 14.3 46.7 49.0 644 334 B A H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.2 6,-0.2 0.934 104.4 54.3 -66.1 -44.9 16.6 44.2 47.4 645 335 B C H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.3 51.4 -55.4 -34.0 19.3 44.9 50.0 646 336 B A T 3< S+ 0 0 17 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.486 85.4 119.7 -82.8 -3.7 16.6 44.1 52.6 647 337 B H S X S- 0 0 31 -3,-2.0 3,-1.5 -4,-0.3 4,-0.1 -0.220 76.3-116.9 -62.1 152.9 15.7 40.8 51.0 648 338 B S G > S+ 0 0 54 1,-0.3 3,-2.6 2,-0.2 4,-0.4 0.760 108.0 76.6 -63.1 -25.9 16.1 37.6 53.0 649 339 B F G 3 S+ 0 0 3 -27,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.825 98.8 47.5 -54.5 -29.1 18.8 36.3 50.6 650 340 B F G X> S+ 0 0 0 -3,-1.5 3,-1.1 -6,-0.2 4,-0.6 0.342 78.9 104.8 -95.7 7.4 21.0 38.8 52.4 651 341 B D G X4 S+ 0 0 83 -3,-2.6 3,-2.0 1,-0.3 4,-0.5 0.895 73.9 60.9 -54.5 -42.4 20.1 37.8 55.9 652 342 B E G >4 S+ 0 0 84 -4,-0.4 3,-1.1 -3,-0.3 -1,-0.3 0.832 97.6 59.8 -55.1 -32.2 23.3 36.0 56.4 653 343 B L G <4 S+ 0 0 1 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.724 102.6 52.5 -69.8 -20.0 25.2 39.3 55.9 654 344 B R G << S+ 0 0 23 -3,-2.0 -1,-0.3 -4,-0.6 37,-0.2 0.472 82.3 114.3 -93.1 -4.1 23.3 40.8 58.8 655 345 B D S X S- 0 0 77 -3,-1.1 3,-1.7 -4,-0.5 -3,-0.0 -0.513 70.1-133.5 -70.0 129.7 24.4 37.9 61.1 656 346 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.813 103.1 46.5 -52.8 -35.7 26.7 39.2 63.9 657 347 B N T 3 S+ 0 0 142 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.390 78.7 132.0 -93.8 5.6 29.2 36.3 63.4 658 348 B V < + 0 0 23 -3,-1.7 8,-0.4 -6,-0.2 2,-0.3 -0.286 30.0 173.5 -59.5 139.6 29.4 36.4 59.6 659 349 B K - 0 0 101 6,-0.1 6,-0.2 0, 0.0 5,-0.1 -0.944 34.9-100.6-142.2 159.9 33.0 36.3 58.4 660 350 B L > - 0 0 6 4,-3.3 3,-2.5 -2,-0.3 6,-0.1 -0.471 40.1-107.9 -78.5 158.1 34.7 36.1 55.0 661 351 B P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -190,-0.0 0.836 121.0 59.3 -55.1 -32.7 36.0 32.7 54.0 662 352 B N T 3 S- 0 0 74 -156,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.329 122.4-106.8 -79.0 8.4 39.6 34.0 54.5 663 353 B G S < S+ 0 0 44 -3,-2.5 -1,-0.1 1,-0.3 2,-0.0 0.257 79.9 126.6 87.3 -13.6 38.7 34.8 58.1 664 354 B R - 0 0 121 -158,-0.2 -4,-3.3 1,-0.1 -1,-0.3 -0.304 67.0 -99.2 -75.6 162.5 38.5 38.5 57.7 665 355 B D - 0 0 115 -6,-0.2 -6,-0.1 1,-0.1 -1,-0.1 -0.338 44.5-102.6 -72.9 161.8 35.6 40.7 58.7 666 356 B T - 0 0 29 -8,-0.4 -1,-0.1 1,-0.2 -158,-0.1 -0.350 44.7 -89.7 -80.5 167.3 33.1 41.6 56.0 667 357 B P - 0 0 21 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.186 60.8 -74.5 -68.3 172.8 33.2 45.2 54.5 668 358 B A + 0 0 64 1,-0.2 -247,-0.0 -3,-0.1 -3,-0.0 -0.613 61.0 165.0 -72.9 112.5 31.0 47.8 56.2 669 359 B L + 0 0 0 -2,-0.7 -1,-0.2 -16,-0.1 3,-0.0 0.497 63.9 47.2-108.9 -4.9 27.5 46.9 55.0 670 360 B F + 0 0 35 1,-0.1 2,-2.2 18,-0.0 -1,-0.1 0.399 67.6 107.3-121.3 3.8 25.3 48.9 57.4 671 361 B N + 0 0 96 17,-0.0 -1,-0.1 2,-0.0 2,-0.1 -0.302 51.4 170.3 -80.2 57.6 26.7 52.5 57.5 672 362 B F - 0 0 23 -2,-2.2 2,-0.2 12,-0.1 -2,-0.0 -0.404 23.4-141.6 -69.0 143.3 23.7 53.7 55.5 673 363 B T > - 0 0 68 -2,-0.1 4,-1.7 1,-0.1 5,-0.2 -0.573 26.8-107.8-100.0 167.4 23.3 57.5 55.2 674 364 B T H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.899 122.3 56.7 -60.0 -38.7 19.9 59.4 55.2 675 365 B Q H 4 S+ 0 0 71 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.930 106.4 47.9 -56.8 -50.0 20.5 59.9 51.4 676 366 B E H 4 S+ 0 0 6 1,-0.2 3,-0.4 2,-0.1 -1,-0.2 0.806 117.6 41.5 -61.5 -34.7 20.8 56.2 50.8 677 367 B L H >< S+ 0 0 21 -4,-1.7 3,-3.0 1,-0.2 -1,-0.2 0.576 83.9 104.0 -90.1 -12.7 17.7 55.4 52.8 678 368 B S T 3< S+ 0 0 58 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.717 71.4 63.1 -42.5 -32.5 15.7 58.4 51.4 679 369 B S T 3 S- 0 0 79 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.759 131.9 -4.2 -69.1 -22.1 13.6 56.2 49.1 680 370 B N X - 0 0 54 -3,-3.0 3,-2.2 -4,-0.1 4,-0.3 -0.308 64.9-175.2-171.0 75.2 12.2 54.4 52.1 681 371 B P G > S+ 0 0 77 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.832 81.0 67.0 -43.7 -46.1 13.5 55.3 55.6 682 372 B P G > S+ 0 0 86 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.730 84.0 74.2 -52.3 -24.7 11.5 52.6 57.4 683 373 B L G X> S+ 0 0 26 -3,-2.2 4,-2.6 1,-0.3 3,-2.4 0.737 75.4 79.9 -63.0 -21.2 13.6 49.9 55.7 684 374 B A H <> S+ 0 0 20 -3,-2.4 4,-2.1 -4,-0.3 -1,-0.3 0.715 77.3 71.6 -58.4 -20.2 16.5 50.8 58.0 685 375 B T H <4 S+ 0 0 100 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.698 112.9 27.3 -69.9 -17.2 14.7 48.7 60.6 686 376 B I H <4 S+ 0 0 80 -3,-2.4 -2,-0.2 -4,-0.2 -1,-0.2 0.758 120.0 54.6-106.2 -46.3 15.8 45.7 58.6 687 377 B L H < S+ 0 0 0 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.836 103.0 58.7 -59.2 -39.9 18.9 47.0 56.9 688 378 B I S < S- 0 0 40 -4,-2.1 -1,-0.2 -5,-0.2 5,-0.1 -0.849 86.9-143.0 -99.3 105.9 20.6 48.0 60.1 689 379 B P >> - 0 0 5 0, 0.0 3,-1.6 0, 0.0 4,-0.6 -0.239 23.2-107.9 -64.4 151.8 21.0 44.9 62.3 690 380 B P G >4 S+ 0 0 103 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.912 119.7 53.9 -47.3 -50.3 20.6 45.1 66.1 691 381 B H G >4 S+ 0 0 65 1,-0.3 3,-0.9 -37,-0.2 -36,-0.0 0.753 101.3 60.3 -60.0 -23.2 24.3 44.6 66.7 692 382 B A G <4 S+ 0 0 44 -3,-1.6 -1,-0.3 1,-0.2 -22,-0.0 0.609 100.3 56.3 -79.1 -11.0 25.1 47.5 64.3 693 383 B R G << 0 0 139 -3,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.286 360.0 360.0-101.3 7.5 23.1 49.8 66.6 694 384 B I < 0 0 179 -3,-0.9 -3,-0.0 -4,-0.2 0, 0.0 -0.531 360.0 360.0 -68.6 360.0 25.2 49.0 69.7