==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-FEB-07 2OW3 . COMPND 2 MOLECULE: GLYCOGEN SYNTHASE KINASE-3 BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.C.ZHANG,L.V.BONAGA,H.YE,C.K.DERIAN,B.P.DAMIANO, . 699 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 57.1 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 . 101 14.4 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 . 2 0.3 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 . 37 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 3 1 3 1 2 3 0 0 0 0 0 2 0 0 2 0 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 1 3 2 4 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 0 148 0, 0.0 2,-1.2 0, 0.0 22,-0.0 0.000 360.0 360.0 360.0 44.6 -44.5 -22.3 82.4 2 36 A K - 0 0 162 2,-0.0 2,-0.5 23,-0.0 23,-0.2 -0.736 360.0-160.5 -93.4 85.7 -40.7 -22.4 82.8 3 37 A V - 0 0 68 -2,-1.2 2,-0.3 20,-0.1 20,-0.2 -0.575 9.9-156.0 -81.0 118.3 -40.5 -19.6 85.4 4 38 A T E -A 22 0A 40 18,-1.9 18,-1.8 -2,-0.5 2,-0.4 -0.678 11.1-161.8 -81.6 145.8 -37.2 -17.9 86.0 5 39 A T E +A 21 0A 80 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.963 16.7 162.1-136.1 116.2 -36.8 -16.2 89.4 6 40 A V E -A 20 0A 30 14,-2.4 14,-3.0 -2,-0.4 2,-0.5 -0.800 40.4-114.5-125.0 169.3 -34.3 -13.5 90.2 7 41 A V E -A 19 0A 90 -2,-0.3 2,-0.4 12,-0.2 76,-0.3 -0.940 42.3-169.1-103.1 124.9 -33.7 -10.9 92.8 8 42 A A E -A 18 0A 1 10,-2.4 10,-1.6 -2,-0.5 74,-0.2 -0.962 22.1-131.5-134.0 135.0 -33.9 -7.4 91.2 9 43 A T E -B 81 0A 18 72,-2.3 72,-1.5 -2,-0.4 6,-0.1 -0.651 35.7-113.0 -85.1 120.4 -33.1 -3.8 92.2 10 44 A P E -B 80 0A 22 0, 0.0 70,-0.3 0, 0.0 69,-0.1 -0.154 21.3-130.2 -53.9 149.5 -35.9 -1.2 91.5 11 45 A G S S+ 0 0 1 68,-2.3 68,-0.1 67,-0.2 69,-0.1 0.888 91.5 8.6 -75.4 -47.3 -35.2 1.4 88.8 12 46 A Q S S+ 0 0 72 67,-0.2 -1,-0.1 66,-0.2 3,-0.1 0.665 113.0 77.4-110.6 -21.8 -36.0 4.8 90.4 13 47 A G S S- 0 0 40 1,-0.2 2,-0.1 3,-0.0 -4,-0.0 0.175 95.2 -56.7 -75.9-165.1 -36.7 4.0 94.1 14 48 A P - 0 0 100 0, 0.0 2,-1.9 0, 0.0 -1,-0.2 -0.405 67.0 -87.2 -76.0 159.3 -34.2 3.3 96.9 15 49 A D S S+ 0 0 92 -6,-0.1 -6,-0.1 -2,-0.1 -4,-0.1 -0.406 77.8 133.3 -73.5 81.9 -31.7 0.4 96.6 16 50 A R - 0 0 181 -2,-1.9 -8,-0.1 -6,-0.1 -1,-0.1 -0.777 45.6-143.1-140.2 88.4 -33.8 -2.5 97.9 17 51 A P - 0 0 71 0, 0.0 2,-0.2 0, 0.0 -8,-0.2 -0.144 17.9-172.7 -52.3 139.9 -33.9 -5.8 95.9 18 52 A Q E -A 8 0A 103 -10,-1.6 -10,-2.4 -12,-0.0 2,-0.4 -0.769 31.6 -98.0-120.9 171.3 -37.1 -7.8 95.7 19 53 A E E -A 7 0A 159 -2,-0.2 2,-0.3 -12,-0.2 -12,-0.2 -0.782 43.4-176.9 -89.7 137.6 -37.9 -11.3 94.3 20 54 A V E -A 6 0A 14 -14,-3.0 -14,-2.4 -2,-0.4 2,-0.4 -0.999 8.0-167.6-140.3 136.8 -39.3 -11.2 90.7 21 55 A S E +A 5 0A 29 -2,-0.3 21,-1.6 -16,-0.2 22,-0.5 -0.955 13.9 156.5-130.5 145.6 -40.5 -14.0 88.4 22 56 A Y E -AC 4 41A 29 -18,-1.8 -18,-1.9 -2,-0.4 2,-0.3 -0.931 12.1-170.8-156.7 169.1 -41.4 -14.1 84.8 23 57 A T E + C 0 40A 22 17,-2.0 17,-2.6 -2,-0.3 -20,-0.1 -0.896 51.8 77.7-157.6-176.5 -41.7 -16.5 81.8 24 58 A D E - 0 0 85 -2,-0.3 2,-1.1 1,-0.2 -1,-0.1 0.875 58.6-173.3 69.1 42.3 -42.2 -16.8 77.9 25 59 A T E + 0 0 66 -23,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.563 17.9 151.2 -74.6 97.5 -38.5 -15.8 77.3 26 60 A K E - C 0 38A 124 12,-1.4 12,-2.9 -2,-1.1 2,-0.3 -0.929 46.6-108.5-122.2 154.7 -38.2 -15.4 73.5 27 61 A V E + C 0 37A 83 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.628 32.4 172.1 -83.5 135.7 -35.7 -13.2 71.6 28 62 A I E + 0 0 83 8,-2.3 2,-0.3 1,-0.3 9,-0.2 0.577 66.1 12.7-112.7 -18.6 -37.1 -10.1 69.8 29 63 A G E + C 0 36A 16 7,-1.7 7,-1.4 2,-0.0 -1,-0.3 -0.988 45.8 176.2-160.2 160.9 -33.9 -8.4 68.8 30 64 A N E + C 0 35A 128 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.673 42.0 90.7-174.0 102.7 -30.1 -8.9 68.4 31 65 A G E > S- C 0 34A 41 3,-2.5 3,-0.8 -2,-0.2 -2,-0.0 -0.736 87.1 -34.8-166.8-150.7 -27.9 -6.2 66.9 32 66 A S T 3 S+ 0 0 131 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.875 127.7 59.1 -63.0 -40.2 -25.7 -3.1 67.6 33 67 A F T 3 S- 0 0 89 1,-0.2 2,-0.4 3,-0.0 -1,-0.2 0.652 117.3-109.7 -64.6 -19.7 -28.1 -2.0 70.4 34 68 A G E < -C 31 0A 13 -3,-0.8 -3,-2.5 17,-0.1 2,-0.4 -0.962 49.0 -40.4 131.2-142.9 -27.5 -5.3 72.2 35 69 A V E -CD 30 52A 46 17,-0.6 17,-2.1 -2,-0.4 2,-0.4 -0.975 53.3-173.9-133.0 118.8 -29.6 -8.4 72.9 36 70 A V E -CD 29 51A 25 -7,-1.4 -8,-2.3 -2,-0.4 -7,-1.7 -0.924 5.7-169.8-121.2 134.5 -33.3 -8.1 73.8 37 71 A Y E -CD 27 50A 56 13,-1.3 13,-2.2 -2,-0.4 2,-0.3 -0.888 20.2-131.1-113.1 149.1 -35.9 -10.7 74.9 38 72 A Q E +CD 26 49A 27 -12,-2.9 -12,-1.4 -2,-0.3 2,-0.3 -0.745 36.6 171.7 -88.0 149.3 -39.7 -10.4 75.3 39 73 A A E - D 0 48A 0 9,-1.8 9,-2.3 -2,-0.3 2,-0.4 -0.978 28.1-128.3-156.6 166.0 -41.0 -11.7 78.6 40 74 A K E -CD 23 47A 94 -17,-2.6 -17,-2.0 -2,-0.3 2,-0.6 -0.971 22.3-125.7-125.8 127.2 -44.2 -11.9 80.8 41 75 A L E > -C 22 0A 4 5,-2.8 4,-2.0 -2,-0.4 -19,-0.2 -0.615 15.3-148.0 -75.9 117.4 -44.5 -10.9 84.5 42 76 A C T 4 S+ 0 0 64 -21,-1.6 -1,-0.2 -2,-0.6 -20,-0.1 0.896 92.1 42.5 -48.5 -51.4 -45.9 -13.9 86.4 43 77 A D T 4 S+ 0 0 123 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.987 128.1 21.0 -64.5 -63.5 -47.8 -11.7 89.0 44 78 A S T 4 S- 0 0 61 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.868 89.8-129.9 -79.4 -39.0 -49.3 -8.9 86.9 45 79 A G < + 0 0 36 -4,-2.0 -3,-0.1 1,-0.3 -1,-0.1 0.166 59.4 142.1 100.5 -12.4 -49.4 -10.5 83.4 46 80 A E - 0 0 93 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.072 49.1-116.5 -59.6 160.8 -47.8 -7.4 82.0 47 81 A L E -D 40 0A 74 -7,-0.2 50,-1.0 50,-0.2 2,-0.3 -0.679 31.8-178.1-101.8 155.2 -45.1 -7.6 79.2 48 82 A V E -DE 39 96A 1 -9,-2.3 -9,-1.8 -2,-0.2 2,-0.4 -0.955 23.9-134.1-147.0 162.4 -41.5 -6.5 79.3 49 83 A A E -DE 38 95A 14 46,-2.2 46,-2.6 -2,-0.3 2,-0.5 -0.971 19.7-158.1-117.9 138.9 -38.2 -6.2 77.3 50 84 A I E -DE 37 94A 5 -13,-2.2 -13,-1.3 -2,-0.4 2,-0.3 -0.916 1.2-158.5-125.6 106.0 -34.9 -7.4 78.8 51 85 A K E -DE 36 93A 26 42,-1.6 42,-1.5 -2,-0.5 2,-0.4 -0.663 10.8-162.2 -86.7 138.1 -31.6 -6.1 77.5 52 86 A K E +DE 35 92A 63 -17,-2.1 -17,-0.6 -2,-0.3 2,-0.3 -0.973 14.1 166.6-128.1 130.0 -28.5 -8.3 78.2 53 87 A V E - E 0 91A 34 38,-1.8 38,-3.0 -2,-0.4 2,-0.4 -1.000 40.8-114.5-147.3 139.1 -24.9 -7.3 78.1 54 88 A L E - E 0 90A 118 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.643 42.8-154.8 -68.2 124.1 -21.5 -8.5 79.2 55 89 A Q - 0 0 31 34,-1.5 2,-1.5 -2,-0.4 6,-0.1 -0.925 20.6-118.5-116.0 126.6 -20.4 -6.0 81.8 56 90 A D - 0 0 48 -2,-0.5 3,-0.1 1,-0.2 33,-0.1 -0.428 26.7-148.4 -62.7 88.9 -16.8 -5.2 82.8 57 91 A K S S+ 0 0 158 -2,-1.5 2,-1.3 1,-0.3 -1,-0.2 0.705 91.8 59.8 -27.9 -46.9 -17.0 -6.2 86.5 58 92 A R S S+ 0 0 93 -3,-0.0 -1,-0.3 2,-0.0 2,-0.2 -0.400 104.1 55.7 -88.2 57.4 -14.5 -3.6 87.4 59 93 A F S S- 0 0 176 -2,-1.3 0, 0.0 -3,-0.1 0, 0.0 -0.884 76.7-106.9-178.4 150.2 -16.5 -0.6 86.2 60 94 A K - 0 0 154 -2,-0.2 2,-0.4 1,-0.0 -4,-0.1 -0.020 37.4-116.9 -63.4 177.9 -19.8 1.4 86.3 61 95 A N > - 0 0 25 1,-0.1 4,-1.9 -6,-0.1 5,-0.2 -0.993 10.9-156.1-128.6 127.2 -22.4 1.4 83.4 62 96 A R H > S+ 0 0 139 -2,-0.4 4,-0.8 1,-0.2 -1,-0.1 0.797 93.4 46.2 -74.4 -31.7 -23.2 4.5 81.4 63 97 A E H > S+ 0 0 25 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.917 113.1 48.0 -74.4 -47.9 -26.7 3.4 80.2 64 98 A L H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.953 111.8 48.9 -58.5 -51.1 -27.9 2.0 83.6 65 99 A Q H < S+ 0 0 76 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.740 110.8 51.4 -67.9 -23.5 -26.8 5.1 85.6 66 100 A I H >< S+ 0 0 13 -4,-0.8 3,-0.9 -3,-0.2 -1,-0.2 0.892 110.6 47.5 -75.0 -41.8 -28.5 7.5 83.1 67 101 A M H >< S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 11,-0.3 0.780 99.1 68.4 -72.2 -25.9 -31.9 5.6 83.2 68 102 A R T 3< S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.625 97.5 52.4 -72.1 -13.5 -32.0 5.4 87.0 69 103 A K T < S+ 0 0 98 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.3 0.102 97.0 94.9-103.2 22.3 -32.5 9.2 87.3 70 104 A L < + 0 0 9 -3,-1.5 8,-0.3 -59,-0.1 2,-0.1 -0.937 31.6 155.2-123.7 134.6 -35.5 9.2 84.8 71 105 A D + 0 0 108 -2,-0.4 2,-0.3 6,-0.1 5,-0.1 -0.599 26.5 134.9-153.1 87.1 -39.2 9.0 85.2 72 106 A H > - 0 0 16 3,-0.3 3,-1.5 -2,-0.1 -2,-0.0 -0.987 53.1-134.4-135.3 143.3 -41.2 10.5 82.3 73 107 A C T 3 S+ 0 0 64 -2,-0.3 4,-0.1 1,-0.3 58,-0.0 0.473 107.8 55.5 -83.0 -3.1 -44.2 9.0 80.6 74 108 A N T 3 S+ 0 0 6 86,-0.1 87,-2.2 2,-0.1 2,-0.4 0.110 101.3 72.7-104.1 15.6 -42.7 9.8 77.1 75 109 A I B < S-g 161 0B 4 -3,-1.5 -3,-0.3 85,-0.3 87,-0.2 -0.999 97.4-105.5-130.7 130.4 -39.6 7.9 78.1 76 110 A V - 0 0 8 85,-2.3 2,-0.3 -2,-0.4 -2,-0.1 -0.307 43.8-123.4 -60.2 125.4 -39.6 4.1 78.3 77 111 A R - 0 0 98 -4,-0.1 19,-1.8 -6,-0.1 2,-0.6 -0.538 8.8-139.8 -80.1 133.6 -39.5 3.3 82.1 78 112 A L E + F 0 95A 3 -8,-0.3 17,-0.2 -11,-0.3 -67,-0.2 -0.843 22.4 178.4 -87.2 117.8 -36.8 1.1 83.7 79 113 A R E - 0 0 19 15,-2.6 -68,-2.3 -2,-0.6 2,-0.3 0.922 58.0 -18.1 -86.3 -53.6 -38.6 -1.1 86.2 80 114 A Y E -BF 10 94A 39 14,-1.1 14,-3.1 -70,-0.3 -1,-0.3 -0.943 51.0-156.2-146.6 166.5 -35.7 -3.2 87.6 81 115 A F E +BF 9 93A 10 -72,-1.5 -72,-2.3 -2,-0.3 2,-0.3 -0.980 18.7 158.0-144.1 156.8 -32.1 -4.4 86.9 82 116 A F E - F 0 92A 9 10,-1.7 10,-2.7 -2,-0.3 2,-0.2 -0.966 28.3-115.0-165.0 172.9 -30.0 -7.4 88.0 83 117 A Y E F 0 91A 132 -76,-0.3 8,-0.2 -2,-0.3 -76,-0.2 -0.619 360.0 360.0-116.9 172.6 -27.0 -9.5 87.2 84 118 A S 0 0 83 6,-1.4 6,-2.5 -2,-0.2 -2,-0.0 -0.921 360.0 360.0-166.5 360.0 -26.3 -13.1 86.2 85 ! 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 86 123 A K 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.6 -20.4 -15.7 78.0 87 124 A D + 0 0 140 3,-0.0 2,-0.4 2,-0.0 3,-0.1 0.340 360.0 41.7 0.4 -66.8 -19.1 -17.5 81.1 88 125 A E S S- 0 0 125 1,-0.2 -33,-0.2 0, 0.0 -1,-0.0 -0.818 101.8 -17.4-117.1 139.2 -19.0 -14.6 83.7 89 126 A V - 0 0 52 -2,-0.4 -34,-1.5 1,-0.1 2,-0.3 0.929 49.9-176.0 45.7 102.1 -21.2 -11.6 84.7 90 127 A Y E -E 54 0A 54 -6,-2.5 -6,-1.4 -36,-0.2 2,-0.4 -0.878 19.2-134.3-111.8 152.5 -24.0 -10.1 82.6 91 128 A L E -EF 53 83A 2 -38,-3.0 -38,-1.8 -2,-0.3 2,-0.4 -0.890 19.4-162.5-104.0 138.5 -26.1 -7.0 83.3 92 129 A N E -EF 52 82A 10 -10,-2.7 -10,-1.7 -2,-0.4 2,-0.4 -0.959 6.5-166.3-121.7 140.6 -29.9 -7.2 82.8 93 130 A L E -EF 51 81A 2 -42,-1.5 -42,-1.6 -2,-0.4 2,-0.6 -0.984 11.2-149.5-127.4 119.6 -32.4 -4.3 82.5 94 131 A V E +EF 50 80A 12 -14,-3.1 -15,-2.6 -2,-0.4 -14,-1.1 -0.809 26.5 179.6 -94.0 122.2 -36.2 -4.8 82.7 95 132 A L E -EF 49 78A 26 -46,-2.6 -46,-2.2 -2,-0.6 -17,-0.2 -0.847 34.7 -93.2-126.7 150.2 -38.1 -2.3 80.6 96 133 A D E -E 48 0A 34 -19,-1.8 2,-0.4 -2,-0.3 -48,-0.2 -0.364 46.2-127.2 -56.4 138.0 -41.7 -1.5 79.7 97 134 A Y + 0 0 72 -50,-1.0 -50,-0.2 -58,-0.1 -1,-0.1 -0.765 30.4 173.0 -95.8 138.9 -42.8 -3.3 76.5 98 135 A V - 0 0 26 -2,-0.4 55,-0.1 1,-0.1 54,-0.0 -0.980 17.5-156.7-141.8 130.5 -44.4 -1.5 73.5 99 136 A P + 0 0 77 0, 0.0 2,-0.2 0, 0.0 54,-0.1 0.828 66.6 54.4 -85.6 -32.8 -45.1 -3.4 70.2 100 137 A E E -H 152 0B 51 52,-0.8 52,-2.6 4,-0.0 2,-0.3 -0.630 59.7-157.5-102.5 160.8 -45.2 -0.7 67.5 101 138 A T E > -H 151 0B 23 50,-0.3 4,-1.4 -2,-0.2 50,-0.2 -0.861 29.5-118.7-125.9 162.8 -42.8 2.1 66.3 102 139 A V H > S+ 0 0 2 48,-2.7 4,-2.8 45,-0.6 5,-0.2 0.897 114.1 57.1 -66.9 -41.7 -43.2 5.4 64.4 103 140 A Y H > S+ 0 0 85 44,-1.2 4,-2.9 47,-0.3 5,-0.2 0.946 106.3 48.6 -52.1 -55.0 -40.9 4.1 61.6 104 141 A R H > S+ 0 0 107 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 113.4 47.3 -50.7 -45.2 -43.1 1.1 61.0 105 142 A V H X S+ 0 0 28 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.896 112.6 47.8 -70.4 -41.6 -46.3 3.2 60.9 106 143 A A H X S+ 0 0 28 -4,-2.8 4,-2.1 1,-0.2 3,-0.2 0.935 108.8 56.1 -60.8 -48.6 -44.7 5.8 58.5 107 144 A R H X S+ 0 0 104 -4,-2.9 4,-2.0 -5,-0.2 5,-0.2 0.830 103.3 55.1 -49.4 -41.5 -43.5 2.9 56.3 108 145 A H H X S+ 0 0 92 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.913 110.1 43.3 -65.4 -46.0 -47.0 1.5 55.9 109 146 A Y H <>S+ 0 0 75 -4,-1.4 5,-1.6 -3,-0.2 -1,-0.2 0.897 114.3 53.2 -63.5 -41.6 -48.6 4.8 54.6 110 147 A S H ><5S+ 0 0 50 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.945 106.1 46.4 -64.0 -56.4 -45.6 5.4 52.3 111 148 A R H 3<5S+ 0 0 155 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.694 110.9 54.9 -66.9 -18.9 -45.3 2.1 50.3 112 149 A A T 3<5S- 0 0 72 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.242 119.8-113.1 -91.0 10.9 -49.1 2.2 49.8 113 150 A K T < 5S+ 0 0 183 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.967 74.8 121.9 55.3 63.0 -48.7 5.7 48.3 114 151 A Q < - 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0 0 18 -4,-2.0 2,-2.7 -5,-0.2 3,-0.6 -0.782 59.3-141.1-161.6 110.7 62.8 -23.2 1.5 601 286 B P T 3 S+ 0 0 85 0, 0.0 -4,-0.2 0, 0.0 -3,-0.1 -0.230 86.1 81.9 -77.0 55.8 62.0 -26.0 3.9 602 287 B N T 3 S+ 0 0 128 -2,-2.7 2,-0.4 -6,-0.4 -5,-0.1 0.134 73.7 81.4-140.4 17.1 59.4 -23.9 5.8 603 288 B Y < + 0 0 111 -3,-0.6 3,-0.1 -7,-0.1 -3,-0.1 -0.990 23.6 122.9-138.3 134.4 56.2 -24.2 3.8 604 289 B T + 0 0 95 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.266 59.8 85.0-144.8 -53.7 53.3 -26.6 3.3 605 290 B E S S- 0 0 188 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 -0.423 72.5-150.5 -56.8 115.3 50.1 -24.7 4.0 606 291 B F - 0 0 49 -2,-0.3 -1,-0.1 1,-0.1 4,-0.0 -0.837 19.6-162.8-103.1 118.7 49.4 -23.1 0.7 607 292 B K S S+ 0 0 100 -2,-0.6 -1,-0.1 2,-0.0 -2,-0.0 0.786 80.5 59.0 -64.3 -27.0 47.5 -19.8 0.7 608 293 B F S S- 0 0 65 1,-0.1 -2,-0.1 -3,-0.1 2,-0.0 -0.598 88.7-107.9-103.2 165.7 46.8 -20.4 -3.0 609 294 B P - 0 0 82 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.101 37.3 -88.7 -84.5-178.2 45.0 -23.3 -4.8 610 295 B Q + 0 0 142 -20,-0.1 2,-0.3 -4,-0.0 -21,-0.0 -0.850 51.0 176.7-103.6 108.9 46.3 -26.2 -7.0 611 296 B I - 0 0 89 -2,-0.7 -21,-1.7 1,-0.1 2,-0.0 -0.766 30.6 -95.9-118.6 154.2 46.5 -25.3 -10.7 612 297 B K - 0 0 185 -2,-0.3 2,-0.9 -23,-0.2 -23,-0.3 -0.293 32.8-115.9 -68.2 148.7 47.6 -27.0 -13.9 613 298 B A - 0 0 71 -25,-0.2 -25,-0.2 -24,-0.1 -26,-0.1 -0.774 33.8-133.2 -87.7 104.9 51.1 -26.6 -15.4 614 299 B H - 0 0 97 -2,-0.9 2,-0.2 -28,-0.4 5,-0.1 -0.238 26.4-105.9 -58.1 141.0 50.6 -25.0 -18.8 615 300 B P > - 0 0 75 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.521 16.7-128.5 -79.1 140.8 52.5 -26.6 -21.7 616 301 B W G >> S+ 0 0 60 1,-0.2 4,-0.9 -2,-0.2 3,-0.8 0.715 102.3 65.9 -54.8 -27.7 55.6 -24.9 -23.1 617 302 B T G 34 S+ 0 0 114 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.886 102.1 44.0 -67.8 -42.0 54.3 -25.2 -26.7 618 303 B K G <4 S+ 0 0 168 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.325 100.7 73.2 -88.2 7.5 51.3 -22.9 -26.3 619 304 B V T <4 S+ 0 0 31 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.892 101.2 38.6 -78.3 -45.5 53.4 -20.3 -24.4 620 305 B F S < S- 0 0 16 -4,-0.9 -53,-0.1 -3,-0.3 -57,-0.0 -0.409 100.5 -72.9-102.7 174.9 55.3 -19.1 -27.5 621 306 B R > - 0 0 149 -2,-0.1 3,-0.9 1,-0.1 -1,-0.2 -0.117 44.1-110.9 -58.8 161.8 54.4 -18.5 -31.1 622 307 B P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.766 116.2 54.0 -64.9 -25.4 53.8 -21.4 -33.6 623 308 B R T 3 S+ 0 0 214 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.415 77.7 124.2 -93.0 -0.1 57.1 -20.6 -35.4 624 309 B T < - 0 0 31 -3,-0.9 -4,-0.0 -7,-0.1 -58,-0.0 -0.314 66.5-110.2 -62.5 139.9 59.4 -20.7 -32.4 625 310 B P > - 0 0 36 0, 0.0 4,-1.4 0, 0.0 5,-0.1 -0.343 18.7-122.7 -70.6 157.9 62.4 -23.1 -32.7 626 311 B P H > S+ 0 0 95 0, 0.0 4,-1.6 0, 0.0 28,-0.1 0.746 107.0 53.3 -73.7 -24.2 62.4 -26.3 -30.5 627 312 B E H > S+ 0 0 68 2,-0.2 4,-3.7 3,-0.2 5,-0.3 0.882 104.4 54.2 -79.2 -41.0 65.8 -25.6 -28.8 628 313 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.945 114.1 43.1 -52.3 -50.8 64.8 -22.1 -27.6 629 314 B I H X S+ 0 0 33 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.869 115.9 49.9 -62.5 -40.6 61.8 -23.7 -26.0 630 315 B A H X S+ 0 0 42 -4,-1.6 4,-1.1 2,-0.2 3,-0.4 0.978 110.6 46.9 -63.4 -57.7 64.0 -26.6 -24.7 631 316 B L H >< S+ 0 0 0 -4,-3.7 3,-0.7 1,-0.2 4,-0.3 0.881 108.7 57.1 -51.5 -44.9 66.8 -24.4 -23.2 632 317 B C H >X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.3 3,-1.7 0.886 101.9 53.8 -57.0 -45.3 64.2 -22.2 -21.5 633 318 B S H 3< S+ 0 0 27 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.774 105.5 54.7 -60.9 -30.5 62.6 -25.1 -19.6 634 319 B R T << S+ 0 0 117 -4,-1.1 10,-1.8 -3,-0.7 -1,-0.3 0.441 113.9 42.3 -83.1 -2.8 66.0 -26.1 -18.2 635 320 B L T <4 S+ 0 0 0 -3,-1.7 2,-1.7 -4,-0.3 -2,-0.2 0.760 106.2 58.7-102.9 -48.8 66.4 -22.5 -16.9 636 321 B L S < S+ 0 0 0 -4,-2.8 2,-0.5 -77,-0.1 -1,-0.1 -0.527 75.3 143.9 -87.8 72.9 62.9 -21.8 -15.4 637 322 B E - 0 0 57 -2,-1.7 5,-0.2 -3,-0.2 6,-0.1 -0.952 52.6-141.8-118.1 123.8 62.8 -24.7 -13.0 638 323 B Y S S+ 0 0 7 -2,-0.5 -97,-0.1 -50,-0.1 -1,-0.1 0.867 88.9 79.3 -46.2 -42.7 61.2 -24.5 -9.5 639 324 B T S > S- 0 0 24 1,-0.2 3,-2.2 3,-0.1 4,-0.1 -0.608 73.4-153.3 -75.8 110.7 64.1 -26.7 -8.1 640 325 B P G > S+ 0 0 16 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.798 95.3 48.7 -52.9 -33.9 67.1 -24.3 -7.6 641 326 B T G 3 S+ 0 0 113 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.1 0.362 99.7 68.6 -89.6 3.9 69.6 -27.2 -8.1 642 327 B A G < S+ 0 0 41 -3,-2.2 2,-0.3 -5,-0.2 -1,-0.2 0.234 78.0 101.0-104.0 11.2 67.9 -28.5 -11.3 643 328 B R S < S- 0 0 18 -3,-0.6 -8,-0.2 -4,-0.1 -9,-0.1 -0.776 79.4-100.1-103.0 144.0 68.9 -25.5 -13.5 644 329 B L - 0 0 11 -10,-1.8 -1,-0.1 -2,-0.3 -2,-0.1 -0.127 36.0-114.5 -54.1 148.9 71.7 -25.5 -16.0 645 330 B T > - 0 0 46 1,-0.1 4,-2.2 -90,-0.0 5,-0.2 -0.437 29.8-109.7 -72.8 161.2 75.0 -23.9 -15.1 646 331 B P H > S+ 0 0 14 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.910 123.4 48.5 -57.0 -39.0 75.9 -20.8 -17.1 647 332 B L H > S+ 0 0 3 2,-0.2 4,-1.0 1,-0.2 -165,-0.0 0.876 110.0 49.7 -70.3 -39.9 78.7 -22.9 -18.7 648 333 B E H 4 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.821 108.8 54.4 -65.4 -32.6 76.3 -25.8 -19.5 649 334 B A H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.806 103.4 55.1 -69.4 -32.1 73.9 -23.2 -21.0 650 335 B C H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 107.3 51.4 -67.9 -27.6 76.7 -22.0 -23.3 651 336 B A T 3< S+ 0 0 21 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.444 84.9 118.7 -87.4 -2.3 77.1 -25.7 -24.4 652 337 B H S X S- 0 0 35 -3,-0.8 3,-1.2 -4,-0.2 -3,-0.1 -0.235 76.3-116.6 -64.6 155.3 73.4 -26.0 -25.2 653 338 B S G > S+ 0 0 55 1,-0.2 3,-2.6 2,-0.1 4,-0.3 0.873 107.1 76.4 -63.7 -38.1 72.4 -26.8 -28.9 654 339 B F G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 -1,-0.2 0.763 95.9 52.3 -41.1 -31.2 70.5 -23.5 -29.3 655 340 B F G < S+ 0 0 0 -3,-1.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.033 76.8 105.7 -98.7 30.6 74.0 -21.9 -29.5 656 341 B D S X S+ 0 0 90 -3,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.888 71.2 61.0 -75.1 -41.0 75.3 -24.3 -32.3 657 342 B E G > S+ 0 0 76 -3,-0.3 3,-1.9 -4,-0.3 -1,-0.2 0.824 94.8 63.0 -55.5 -35.4 75.1 -21.7 -35.1 658 343 B L G 3 S+ 0 0 4 1,-0.3 -1,-0.3 16,-0.0 -2,-0.2 0.501 101.0 54.0 -70.7 -4.5 77.6 -19.4 -33.2 659 344 B R G < S+ 0 0 27 -3,-2.2 -1,-0.3 34,-0.1 -2,-0.2 0.206 80.9 114.7-109.4 10.8 80.1 -22.3 -33.7 660 345 B D X - 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