==== 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 TRANSFERASE 20-APR-09 3H4J . COMPND 2 MOLECULE: SNF1-LIKE PROTEIN KINASE SSP2; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR L.CHEN,Z.-H.JIAO,L.-S.ZHENG,Y.-Y.ZHANG,S.-T.XIE,Z.-X.WANG,J. . 646 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31311.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 52 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 1 1 2 4 2 2 0 0 0 0 1 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 4 5 2 0 2 2 1 2 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 . 0 0 1 1 1 0 1 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 27 B S 0 0 131 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.4 -60.2 11.9 -10.1 2 28 B K - 0 0 169 2,-0.5 3,-0.1 1,-0.0 7,-0.0 0.415 360.0-110.3 -90.0 -0.6 -60.3 10.4 -13.7 3 29 B R S S+ 0 0 174 1,-0.3 7,-2.5 6,-0.0 2,-0.3 0.207 95.4 78.0 88.3 -10.8 -57.0 8.7 -12.9 4 30 B H E +A 9 0A 94 5,-0.3 -2,-0.5 21,-0.0 -1,-0.3 -0.884 49.3 178.3-127.7 157.1 -55.5 11.1 -15.4 5 31 B I E > -A 8 0A 11 3,-1.5 3,-1.4 -2,-0.3 72,-0.0 -0.719 68.2 -46.0-159.6 102.2 -54.3 14.7 -15.5 6 32 B G T 3 S- 0 0 58 1,-0.3 -1,-0.3 -2,-0.2 22,-0.0 -0.454 120.0 -24.2 70.7-141.0 -52.7 16.0 -18.7 7 33 B P T 3 S+ 0 0 39 0, 0.0 21,-3.7 0, 0.0 2,-0.7 0.651 123.1 94.9 -76.2 -10.9 -50.1 13.6 -20.1 8 34 B Y E < -AB 5 27A 32 -3,-1.4 -3,-1.5 19,-0.2 2,-0.5 -0.688 61.4-159.6 -90.7 110.8 -49.7 12.2 -16.6 9 35 B I E -AB 4 26A 30 17,-2.0 17,-1.7 -2,-0.7 -5,-0.3 -0.742 30.0-115.7 -87.4 125.8 -51.7 9.1 -15.6 10 36 B I E + B 0 25A 23 -7,-2.5 15,-0.2 -2,-0.5 3,-0.1 -0.110 37.3 172.0 -54.2 156.4 -52.0 8.9 -11.8 11 37 B R E - 0 0 130 13,-1.7 2,-0.2 1,-0.3 14,-0.2 0.499 57.5 -20.9-144.0 -26.2 -50.3 5.9 -10.2 12 38 B E E - B 0 24A 109 12,-1.1 12,-3.5 0, 0.0 2,-0.6 -0.810 57.2-111.4 175.5 146.4 -50.3 6.2 -6.4 13 39 B T E - B 0 23A 72 10,-0.3 10,-0.3 -2,-0.2 3,-0.1 -0.831 27.4-171.7 -94.6 124.2 -50.7 8.9 -3.7 14 40 B L E - 0 0 42 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.741 55.2 -36.0 -87.3 -26.4 -47.4 9.3 -1.9 15 41 B G E - B 0 22A 4 7,-1.4 7,-3.0 144,-0.1 2,-0.5 -0.973 60.0 -87.9-179.9 178.1 -48.3 11.6 1.0 16 42 B E E - B 0 21A 29 -2,-0.3 517,-0.5 5,-0.2 2,-0.3 -0.927 26.8-170.3-116.6 118.4 -50.4 14.5 2.2 17 43 B G E > - B 0 20A 13 3,-2.6 3,-3.4 -2,-0.5 519,-0.1 -0.788 43.2-101.2-100.6 146.3 -49.4 18.1 2.0 18 44 B S T 3 S+ 0 0 2 517,-0.3 -1,-0.1 -2,-0.3 3,-0.1 0.762 121.1 39.9 -27.6 -55.0 -51.5 20.7 3.8 19 45 B F T 3 S- 0 0 27 1,-0.2 21,-1.8 19,-0.0 -1,-0.3 0.157 129.7 -45.1 -89.3 16.0 -53.4 21.8 0.7 20 46 B G E < S-B 17 0A 18 -3,-3.4 -3,-2.6 19,-0.2 -1,-0.2 -0.855 75.9 -43.5 147.1 177.2 -53.8 18.4 -0.9 21 47 B K E -B 16 0A 86 -2,-0.3 17,-2.4 -5,-0.2 2,-0.6 -0.369 38.2-138.8 -78.5 155.8 -52.4 15.1 -1.8 22 48 B V E -BC 15 37A 2 -7,-3.0 -8,-2.4 15,-0.2 -7,-1.4 -0.976 31.5-169.8-115.4 113.3 -48.9 14.5 -3.4 23 49 B K E -BC 13 36A 35 13,-2.9 13,-4.1 -2,-0.6 2,-0.5 -0.795 22.5-128.9-112.6 152.5 -49.2 11.9 -6.1 24 50 B L E +BC 12 35A 19 -12,-3.5 -13,-1.7 -2,-0.3 -12,-1.1 -0.815 36.1 170.7 -95.7 131.6 -46.9 9.9 -8.2 25 51 B A E -BC 10 34A 0 9,-2.2 9,-0.9 -2,-0.5 2,-0.4 -0.953 24.4-143.2-140.5 161.0 -47.6 9.9 -12.0 26 52 B T E -BC 9 33A 13 -17,-1.7 -17,-2.0 -2,-0.3 7,-0.2 -0.982 33.1-106.1-129.4 131.7 -46.0 8.8 -15.2 27 53 B H E > -B 8 0A 44 5,-2.0 4,-2.7 -2,-0.4 -19,-0.2 -0.332 38.1-125.4 -54.9 130.1 -46.2 10.6 -18.5 28 54 B Y T 4 S+ 0 0 152 -21,-3.7 -1,-0.2 1,-0.2 -20,-0.1 0.682 101.3 22.4 -56.7 -27.2 -48.6 8.5 -20.5 29 55 B K T 4 S+ 0 0 152 -22,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.747 129.6 43.8-106.9 -38.1 -46.4 7.8 -23.6 30 56 B T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.706 89.4-138.1 -79.8 -27.9 -43.0 8.3 -22.0 31 57 B Q < + 0 0 107 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.294 44.5 159.9 81.3 -8.3 -43.4 6.5 -18.7 32 58 B Q - 0 0 107 -6,-0.2 -5,-2.0 1,-0.1 -1,-0.2 -0.216 37.2-135.5 -51.5 116.0 -41.5 9.3 -16.9 33 59 B K E +C 26 0A 83 -7,-0.2 54,-0.4 -3,-0.1 2,-0.3 -0.245 33.6 167.8 -64.4 165.7 -42.3 9.3 -13.3 34 60 B V E -C 25 0A 3 -9,-0.9 -9,-2.2 52,-0.2 2,-0.6 -0.932 36.4-110.3-172.0 159.1 -43.1 12.8 -11.9 35 61 B A E -CD 24 85A 1 50,-3.4 50,-3.2 -2,-0.3 2,-0.8 -0.932 23.7-153.3-110.1 121.5 -44.5 14.1 -8.6 36 62 B L E -CD 23 84A 0 -13,-4.1 -13,-2.9 -2,-0.6 2,-0.7 -0.799 8.5-161.8 -94.9 106.2 -48.0 15.7 -8.8 37 63 B K E -CD 22 83A 4 46,-3.0 46,-2.4 -2,-0.8 2,-0.5 -0.790 11.5-145.4 -94.9 118.0 -48.6 18.3 -6.1 38 64 B F E - D 0 82A 18 -17,-2.4 2,-0.5 -2,-0.7 44,-0.2 -0.672 16.7-176.1 -87.5 122.2 -52.2 19.0 -5.4 39 65 B I E - D 0 81A 2 42,-2.2 42,-3.6 -2,-0.5 2,-0.3 -0.956 21.8-136.7-120.6 119.8 -53.5 22.4 -4.4 40 66 B S E > - D 0 80A 6 -21,-1.8 4,-1.5 -2,-0.5 40,-0.2 -0.548 2.5-155.3 -70.5 125.0 -57.2 22.8 -3.7 41 67 B R H > S+ 0 0 102 38,-2.2 4,-2.5 -2,-0.3 5,-0.2 0.834 97.3 58.3 -70.8 -29.7 -58.7 26.0 -5.2 42 68 B Q H > S+ 0 0 107 37,-0.6 4,-2.1 1,-0.2 3,-0.5 0.995 109.2 40.7 -56.2 -73.4 -61.3 25.7 -2.5 43 69 B L H > S+ 0 0 34 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.739 110.9 60.7 -48.4 -29.8 -58.7 25.9 0.3 44 70 B L H ><>S+ 0 0 4 -4,-1.5 3,-1.1 2,-0.2 5,-1.0 0.986 107.1 43.2 -63.7 -56.9 -56.8 28.5 -1.6 45 71 B K H ><5S+ 0 0 168 -4,-2.5 3,-2.1 -3,-0.5 4,-0.2 0.951 107.4 62.7 -50.8 -52.2 -59.7 30.9 -1.6 46 72 B K H 3<5S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.732 97.5 57.3 -43.4 -35.7 -60.4 30.1 2.1 47 73 B S T <<5S- 0 0 34 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.168 105.2-121.9 -90.0 20.4 -57.0 31.5 3.2 48 74 B D T < 5S+ 0 0 149 -3,-2.1 2,-0.3 1,-0.1 -3,-0.1 0.801 88.4 90.6 43.2 30.9 -57.5 35.0 1.8 49 75 B M < + 0 0 93 -5,-1.0 -2,-0.2 -4,-0.2 -1,-0.1 -0.812 23.3 118.7-161.5 118.5 -54.3 34.2 -0.2 50 76 B H S > S+ 0 0 71 -2,-0.3 4,-3.0 3,-0.1 5,-0.2 0.266 70.2 75.0-148.5 -19.6 -53.9 32.7 -3.7 51 77 B M H > S+ 0 0 104 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.923 95.2 48.5 -70.7 -45.9 -52.3 35.6 -5.4 52 78 B R H > S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.851 118.2 43.5 -64.7 -30.9 -48.8 35.1 -3.8 53 79 B V H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.976 107.4 56.0 -74.8 -59.4 -49.1 31.4 -4.7 54 80 B E H X S+ 0 0 88 -4,-3.0 4,-1.1 1,-0.3 -2,-0.2 0.779 120.2 34.4 -41.4 -35.3 -50.4 31.9 -8.3 55 81 B R H X S+ 0 0 131 -4,-1.6 4,-1.5 2,-0.2 -1,-0.3 0.813 108.6 61.6 -93.8 -36.7 -47.4 34.0 -8.9 56 82 B E H X S+ 0 0 58 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.876 113.9 42.1 -56.5 -33.0 -44.8 32.3 -6.8 57 83 B I H X S+ 0 0 12 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.877 107.4 53.5 -84.5 -39.0 -45.5 29.3 -9.0 58 84 B S H < S+ 0 0 43 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.742 111.2 55.1 -67.0 -14.6 -45.7 31.0 -12.5 59 85 B Y H >< S+ 0 0 90 -4,-1.5 3,-2.0 2,-0.2 -2,-0.2 0.933 103.5 49.6 -77.9 -51.4 -42.3 32.3 -11.3 60 86 B L H >< S+ 0 0 9 -4,-1.4 3,-2.9 1,-0.3 11,-0.4 0.822 89.6 86.3 -55.8 -31.8 -40.9 28.8 -10.6 61 87 B K T 3< S+ 0 0 37 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.731 93.5 44.1 -41.3 -27.5 -42.1 27.9 -14.1 62 88 B L T < S+ 0 0 14 -3,-2.0 2,-0.6 -4,-0.1 -1,-0.3 0.164 82.3 102.6-113.4 22.4 -38.8 29.3 -15.3 63 89 B L < + 0 0 8 -3,-2.9 8,-0.6 8,-0.2 2,-0.2 -0.926 36.3 164.7-101.6 118.5 -36.1 27.9 -13.0 64 90 B R + 0 0 72 -2,-0.6 5,-0.1 251,-0.1 6,-0.0 -0.666 11.5 150.8-135.3 78.8 -34.3 25.0 -14.7 65 91 B H > - 0 0 10 3,-0.3 3,-1.6 -2,-0.2 5,-0.1 -0.880 50.2-125.1-108.1 141.4 -31.1 24.2 -12.8 66 92 B P T 3 S+ 0 0 12 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.679 108.1 40.6 -60.2 -18.0 -29.6 20.7 -12.7 67 93 B H T 3 S+ 0 0 2 46,-0.1 79,-2.7 78,-0.1 2,-0.4 0.138 101.1 76.6-120.5 22.9 -29.5 20.6 -8.9 68 94 B I B < S-f 146 0B 6 -3,-1.6 -3,-0.3 77,-0.3 2,-0.2 -1.000 90.9-106.2-130.6 130.2 -32.8 22.1 -8.0 69 95 B I - 0 0 4 77,-2.8 79,-0.2 -2,-0.4 2,-0.2 -0.398 43.8-126.9 -59.5 124.0 -36.0 20.1 -8.4 70 96 B K - 0 0 28 -2,-0.2 16,-2.9 -4,-0.1 2,-0.8 -0.440 8.4-142.8 -79.5 144.6 -37.9 21.5 -11.5 71 97 B L E -E 85 0A 2 -8,-0.6 14,-0.2 -11,-0.4 -8,-0.2 -0.922 23.2-179.0 -99.7 108.5 -41.5 22.7 -11.8 72 98 B Y E - 0 0 84 12,-3.0 2,-0.3 -2,-0.8 -1,-0.2 0.843 58.6 -21.6 -78.2 -34.0 -42.3 21.3 -15.3 73 99 B D E -E 84 0A 57 11,-0.8 11,-3.2 -3,-0.1 2,-0.5 -0.987 48.8-129.8-168.6 161.4 -45.8 22.7 -15.4 74 100 B V E -E 83 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.992 25.5-170.1-123.0 128.1 -48.8 23.9 -13.5 75 101 B I E -E 82 0A 33 7,-2.6 7,-3.4 -2,-0.5 2,-0.5 -0.971 7.0-154.9-123.8 118.8 -52.1 22.3 -14.5 76 102 B T E -E 81 0A 93 -2,-0.5 5,-0.3 5,-0.3 -2,-0.0 -0.774 10.8-173.6 -97.0 132.5 -55.4 23.7 -13.2 77 103 B T - 0 0 32 3,-4.0 -36,-0.1 -2,-0.5 -72,-0.0 -0.816 45.9 -95.4-115.1 160.1 -58.4 21.5 -12.9 78 104 B P S S+ 0 0 126 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.791 126.7 25.3 -42.0 -33.5 -61.9 22.6 -12.0 79 105 B T S S+ 0 0 62 1,-0.2 -38,-2.2 -38,-0.1 -37,-0.6 0.723 125.9 27.7-109.2 -26.0 -61.0 21.6 -8.4 80 106 B D E -D 40 0A 24 -40,-0.2 -3,-4.0 -39,-0.1 2,-0.6 -0.961 56.1-137.1-137.6 155.5 -57.2 21.8 -8.0 81 107 B I E -DE 39 76A 13 -42,-3.6 -42,-2.2 -2,-0.3 2,-0.5 -0.969 34.7-160.0-107.4 122.4 -54.2 23.6 -9.3 82 108 B V E -DE 38 75A 0 -7,-3.4 -7,-2.6 -2,-0.6 2,-0.4 -0.932 8.9-148.5-113.1 119.6 -51.6 20.8 -9.7 83 109 B M E -DE 37 74A 0 -46,-2.4 -46,-3.0 -2,-0.5 2,-1.0 -0.695 12.2-140.7 -83.9 128.8 -47.8 21.4 -9.9 84 110 B V E -DE 36 73A 0 -11,-3.2 -12,-3.0 -2,-0.4 -11,-0.8 -0.812 30.0-169.4 -93.1 99.0 -45.9 18.9 -12.0 85 111 B I E -DE 35 71A 0 -50,-3.2 -50,-3.4 -2,-1.0 -14,-0.2 -0.769 26.2-102.8-100.1 134.0 -42.7 18.4 -9.9 86 112 B E - 0 0 22 -16,-2.9 2,-0.4 -2,-0.4 -52,-0.2 -0.168 41.4-121.7 -51.7 137.3 -39.5 16.7 -10.9 87 113 B Y + 0 0 86 -54,-0.4 2,-0.3 -18,-0.0 -1,-0.1 -0.682 36.1 164.9 -90.0 133.3 -39.2 13.2 -9.4 88 114 B A - 0 0 2 -2,-0.4 51,-0.1 51,-0.1 50,-0.1 -0.921 16.6-169.6-148.6 119.6 -36.3 12.1 -7.1 89 115 B G + 0 0 37 -2,-0.3 2,-0.2 48,-0.1 50,-0.2 0.557 60.1 73.1 -86.3 -9.6 -36.3 9.0 -4.9 90 116 B G E -G 138 0B 26 48,-2.2 48,-2.1 4,-0.0 2,-0.4 -0.628 60.7-143.2-109.0 167.8 -33.2 9.4 -2.7 91 117 B E E > -G 137 0B 5 46,-0.3 4,-1.7 -2,-0.2 3,-0.3 -0.994 15.2-138.9-128.0 126.6 -32.1 11.6 0.2 92 118 B L H > S+ 0 0 0 44,-2.3 4,-2.2 -2,-0.4 -1,-0.1 0.878 101.9 50.8 -49.7 -49.1 -28.5 12.9 0.4 93 119 B F H > S+ 0 0 2 43,-0.4 4,-2.5 40,-0.4 5,-0.3 0.875 103.9 58.0 -62.2 -36.9 -28.1 12.3 4.2 94 120 B D H > S+ 0 0 61 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.933 109.9 45.6 -56.3 -42.7 -29.3 8.7 3.9 95 121 B Y H X S+ 0 0 48 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.900 108.0 59.3 -67.4 -38.3 -26.4 8.2 1.5 96 122 B I H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.961 109.5 39.8 -54.3 -57.8 -24.2 10.0 3.9 97 123 B V H < S+ 0 0 53 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.726 114.5 53.2 -69.6 -20.2 -24.7 7.6 6.8 98 124 B E H < S+ 0 0 166 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.924 117.2 37.6 -76.9 -44.9 -24.7 4.5 4.5 99 125 B K H < S- 0 0 89 -4,-2.9 2,-0.4 1,-0.4 -2,-0.2 0.734 98.6-162.9 -72.0 -15.4 -21.3 5.6 3.0 100 126 B K < + 0 0 161 -4,-1.2 -1,-0.4 -5,-0.3 2,-0.2 -0.597 67.6 13.4 60.2-120.9 -20.6 6.7 6.5 101 127 B R S S- 0 0 110 -2,-0.4 98,-0.2 99,-0.2 2,-0.1 -0.498 81.6-149.1 -93.2 129.9 -17.7 9.0 5.7 102 128 B M - 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0 0 31 -2,-0.5 4,-2.2 1,-0.2 5,-0.3 -0.053 32.3-114.8 -43.9 146.9 -66.2 20.2 16.1 550 256 A P H > S+ 0 0 117 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.808 117.7 55.9 -59.1 -25.6 -66.8 24.0 16.7 551 257 A G H > S+ 0 0 23 2,-0.2 4,-2.7 3,-0.2 5,-0.2 0.944 107.1 44.3 -70.6 -50.4 -64.9 23.4 20.0 552 258 A A H > S+ 0 0 0 2,-0.2 4,-3.7 1,-0.2 5,-0.4 0.977 111.7 53.1 -57.5 -57.6 -61.8 21.9 18.5 553 259 A Q H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.833 112.1 48.4 -47.5 -33.8 -61.7 24.6 15.8 554 260 A S H X S+ 0 0 34 -4,-1.0 4,-0.8 -5,-0.3 -1,-0.3 0.906 113.7 44.6 -73.8 -43.0 -61.9 27.0 18.7 555 261 A L H X S+ 0 0 0 -4,-2.7 4,-0.7 -3,-0.2 3,-0.4 0.910 116.4 44.7 -70.7 -41.7 -59.1 25.3 20.7 556 262 A I H >X S+ 0 0 0 -4,-3.7 3,-2.0 1,-0.2 4,-1.8 0.977 110.2 56.6 -64.4 -49.6 -56.8 25.0 17.7 557 263 A R H 3< S+ 0 0 122 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.726 107.1 51.7 -52.3 -23.3 -57.6 28.6 16.7 558 264 A R H 3< S+ 0 0 81 -4,-0.8 10,-1.7 -3,-0.4 -1,-0.3 0.601 111.2 42.6 -93.9 -10.8 -56.5 29.6 20.1 559 265 A M H << S+ 0 0 0 -3,-2.0 2,-2.6 -4,-0.7 -2,-0.2 0.843 98.6 68.1 -99.7 -45.9 -53.0 27.9 20.2 560 266 A I S < S+ 0 0 12 -4,-1.8 2,-0.5 -38,-0.1 -1,-0.2 -0.437 71.6 143.8 -74.0 73.7 -51.6 28.6 16.7 561 267 A V - 0 0 36 -2,-2.6 6,-0.1 1,-0.2 -42,-0.1 -0.945 45.6-151.9-123.0 118.2 -51.3 32.4 17.3 562 268 A A S S+ 0 0 69 -2,-0.5 -388,-0.2 4,-0.1 -1,-0.2 0.926 86.4 65.6 -44.7 -63.7 -48.4 34.4 15.9 563 269 A D S S- 0 0 75 1,-0.2 -1,-0.1 3,-0.1 3,-0.0 -0.571 74.4-158.8 -69.8 116.0 -48.4 37.0 18.6 564 270 A P S > S+ 0 0 38 0, 0.0 3,-2.4 0, 0.0 -1,-0.2 0.866 90.3 53.9 -60.4 -50.3 -47.3 35.1 21.9 565 271 A M T 3 S+ 0 0 153 1,-0.3 -2,-0.1 0, 0.0 -50,-0.0 0.865 108.3 56.1 -56.4 -32.6 -48.7 37.5 24.4 566 272 A Q T 3 S+ 0 0 122 -5,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.285 92.6 100.8 -81.8 7.7 -51.9 37.0 22.4 567 273 A R S < S- 0 0 12 -3,-2.4 -8,-0.2 -5,-0.1 -9,-0.1 -0.741 79.2-101.9-104.6 146.7 -51.8 33.2 22.9 568 274 A I - 0 0 8 -10,-1.7 2,-0.1 -2,-0.3 -7,-0.1 -0.225 37.9-131.1 -59.3 146.2 -53.8 31.0 25.2 569 275 A T > - 0 0 71 1,-0.1 4,-1.0 -51,-0.1 -1,-0.1 -0.447 23.1-101.4 -95.4 173.0 -51.9 29.8 28.3 570 276 A I H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 -121,-0.1 0.852 120.9 35.8 -62.0 -42.2 -51.6 26.2 29.6 571 277 A Q H 4 S+ 0 0 105 2,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.637 106.9 66.3 -88.8 -13.5 -54.2 26.5 32.4 572 278 A E H 4 S+ 0 0 90 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.832 110.8 42.1 -69.5 -27.9 -56.4 28.7 30.3 573 279 A I H >< S+ 0 0 0 -4,-1.0 3,-3.0 1,-0.2 -2,-0.3 0.923 102.5 61.8 -80.2 -51.7 -56.5 25.4 28.4 574 280 A R T 3< S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.527 108.5 49.0 -56.5 -3.8 -56.9 23.0 31.3 575 281 A R T 3 S+ 0 0 177 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.2 0.421 83.3 119.9-113.5 -6.7 -60.2 24.8 32.0 576 282 A D <> - 0 0 21 -3,-3.0 4,-2.3 1,-0.1 -3,-0.1 -0.410 63.5-134.3 -67.4 134.9 -61.6 24.8 28.5 577 283 A P H > S+ 0 0 101 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.952 103.3 44.9 -47.7 -68.3 -65.0 23.0 28.0 578 284 A W H >4 S+ 0 0 24 1,-0.2 3,-1.0 2,-0.2 -26,-0.1 0.911 112.6 54.9 -46.1 -53.1 -64.1 21.0 24.9 579 285 A F H 34 S+ 0 0 1 1,-0.2 -1,-0.2 -6,-0.2 -5,-0.1 0.929 103.4 52.5 -47.3 -60.4 -60.8 20.0 26.4 580 286 A N H >< S+ 0 0 49 -4,-2.3 3,-2.1 -7,-0.2 -1,-0.2 0.633 78.1 120.5 -57.0 -20.4 -62.2 18.6 29.6 581 287 A V T << S- 0 0 62 -4,-1.0 -3,-0.0 -3,-1.0 0, 0.0 -0.106 88.3 -0.7 -47.7 140.4 -64.7 16.2 28.0 582 288 A N T 3 S+ 0 0 118 1,-0.2 -1,-0.3 -144,-0.0 -2,-0.1 0.627 88.7 168.9 48.8 20.3 -64.0 12.5 28.9 583 289 A L < - 0 0 8 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.482 29.8-128.7 -67.6 112.1 -61.0 13.5 31.0 584 290 A P > - 0 0 47 0, 0.0 4,-0.9 0, 0.0 3,-0.2 0.193 22.0 -99.2 -51.0 175.1 -59.9 10.5 33.1 585 291 A D T >4 S+ 0 0 80 1,-0.2 3,-1.5 2,-0.2 61,-0.1 0.996 110.8 48.0 -63.3 -77.4 -59.3 10.5 36.9 586 292 A Y T 34 S+ 0 0 45 59,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.577 112.2 54.7 -46.3 -15.0 -55.6 10.9 37.6 587 293 A L T 34 S+ 0 0 8 -3,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.797 76.2 113.4 -93.1 -32.3 -55.4 13.8 35.2 588 294 A R S << S- 0 0 159 -3,-1.5 2,-0.2 -4,-0.9 -3,-0.0 0.005 85.8 -80.8 -43.4 144.5 -58.1 16.1 36.5 589 295 A P - 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.286 53.9-174.4 -51.9 112.7 -56.8 19.5 37.9 590 296 A M - 0 0 48 -3,-0.2 -3,-0.0 -2,-0.2 -4,-0.0 0.395 12.1-162.3 -84.6-137.1 -55.6 19.0 41.5 591 297 A E - 0 0 167 2,-0.0 -1,-0.1 0, 0.0 0, 0.0 0.019 20.1-142.1-172.1 -63.8 -54.4 21.8 43.8 592 298 A E - 0 0 70 1,-0.1 2,-0.7 46,-0.0 3,-0.0 0.742 10.4-131.9 82.4 119.6 -52.3 20.7 46.8 593 299 A V - 0 0 130 1,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.930 30.7-128.3 -90.5 115.7 -52.1 21.8 50.5 594 300 A Q + 0 0 137 -2,-0.7 -1,-0.1 1,-0.1 -2,-0.0 0.725 48.5 176.8 -32.2 -47.2 -48.4 22.2 51.1 595 301 A G - 0 0 47 2,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.196 37.4 -34.8 62.0 175.7 -48.7 19.9 54.2 596 302 A S > - 0 0 95 1,-0.1 2,-1.8 2,-0.0 3,-0.7 -0.514 45.8-140.8 -75.4 131.0 -46.0 18.7 56.5 597 303 A Y T 3 S+ 0 0 48 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 -0.562 77.2 97.0 -88.2 71.5 -42.6 17.9 55.0 598 304 A A T 3 + 0 0 61 -2,-1.8 -1,-0.2 1,-0.0 5,-0.1 0.469 31.0 121.6-134.2 -12.3 -42.1 14.8 57.2 599 305 A D < - 0 0 44 -3,-0.7 2,-0.6 1,-0.2 -2,-0.1 0.698 38.5-177.2 -23.7 -50.3 -43.1 11.9 55.0 600 306 A S > + 0 0 73 1,-0.2 4,-0.7 14,-0.0 -1,-0.2 0.149 65.9 92.1 64.9 -22.5 -39.6 10.3 55.4 601 307 A R T 4 S+ 0 0 182 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.532 104.8 25.7 -74.3 -4.8 -40.9 7.6 53.0 602 308 A I T > S+ 0 0 5 2,-0.1 4,-0.9 3,-0.1 -1,-0.2 0.418 106.1 72.7-131.2 -14.0 -39.4 10.0 50.5 603 309 A V H > S+ 0 0 21 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.642 106.5 47.0 -74.6 -12.3 -36.8 11.7 52.7 604 310 A S H X S+ 0 0 54 -4,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.813 110.6 47.6 -91.1 -41.9 -35.3 8.3 52.2 605 311 A K H 4 S+ 0 0 112 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.562 103.2 69.7 -75.9 -7.6 -36.0 8.3 48.4 606 312 A L H >X>S+ 0 0 9 -4,-0.9 3,-1.7 2,-0.2 4,-1.3 0.980 100.4 41.1 -71.9 -60.1 -34.4 11.8 48.4 607 313 A G H 3<5S+ 0 0 24 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.884 103.5 70.2 -54.6 -42.0 -30.9 10.7 49.2 608 314 A E T 3<5S+ 0 0 139 -4,-1.3 -1,-0.3 1,-0.1 -2,-0.2 0.665 115.6 21.2 -50.8 -21.3 -31.2 7.7 46.8 609 315 A A T <45S+ 0 0 21 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.760 134.0 27.6-112.1 -71.0 -31.2 10.2 43.8 610 316 A M T <5S- 0 0 52 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.951 97.3-142.6 -60.5 -50.5 -29.7 13.6 44.5 611 317 A G < + 0 0 26 -5,-0.7 -1,-0.2 -4,-0.1 -2,-0.2 -0.986 53.8 110.8 128.0-124.6 -27.4 12.2 47.2 612 318 A F - 0 0 110 -2,-0.4 2,-0.3 -3,-0.1 5,-0.0 -0.117 68.6 -75.8 53.2-141.6 -26.6 14.1 50.4 613 319 A S > - 0 0 45 1,-0.1 4,-0.8 -7,-0.0 5,-0.1 -0.954 26.3-105.9-151.2 169.1 -27.9 12.8 53.7 614 320 A E H > S+ 0 0 136 -2,-0.3 4,-3.3 2,-0.2 5,-0.2 0.968 116.6 35.1 -63.1 -58.5 -31.0 12.5 55.9 615 321 A D H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.942 117.5 52.0 -62.3 -50.6 -30.1 15.1 58.6 616 322 A Y H > S+ 0 0 136 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.727 114.5 46.8 -59.3 -21.4 -28.4 17.4 56.2 617 323 A I H >< S+ 0 0 15 -4,-0.8 3,-1.2 -3,-0.2 4,-0.3 0.915 110.9 47.4 -84.2 -51.7 -31.6 17.1 54.2 618 324 A V H 3X S+ 0 0 46 -4,-3.3 4,-0.9 1,-0.3 3,-0.4 0.676 104.9 66.7 -62.4 -14.0 -33.9 17.7 57.2 619 325 A E H 3X S+ 0 0 117 -4,-1.6 4,-0.9 1,-0.2 -1,-0.3 0.872 97.3 49.2 -73.5 -37.7 -31.5 20.6 57.8 620 326 A A H << S+ 0 0 15 -3,-1.2 7,-0.3 -4,-0.6 -1,-0.2 0.434 99.5 76.4 -79.8 2.0 -32.7 22.3 54.6 621 327 A L H 4 S+ 0 0 51 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.977 98.3 35.3 -74.8 -59.3 -36.2 21.6 56.0 622 328 A R H < S+ 0 0 158 -4,-0.9 2,-2.0 -3,-0.1 -2,-0.2 0.743 91.4 93.9 -68.9 -25.5 -36.4 24.3 58.7 623 329 A S S < S- 0 0 52 -4,-0.9 4,-0.2 1,-0.2 -1,-0.1 -0.573 76.1-155.3 -69.5 89.6 -34.4 26.8 56.6 624 330 A D + 0 0 144 -2,-2.0 3,-0.3 2,-0.1 -1,-0.2 0.750 55.0 106.9 -39.1 -53.2 -37.8 28.1 55.3 625 331 A E S S- 0 0 154 1,-0.2 5,-0.2 -3,-0.1 -2,-0.1 -0.105 96.1 -89.4 -41.1 118.4 -36.8 29.7 52.0 626 332 A N - 0 0 123 4,-0.1 -1,-0.2 1,-0.1 -2,-0.1 -0.015 63.6-161.2 -33.1 87.4 -38.1 27.5 49.1 627 333 A N - 0 0 46 -3,-0.3 -1,-0.1 -7,-0.3 -6,-0.1 0.837 30.1-107.3 -47.5-129.7 -34.9 25.5 49.0 628 334 A E S S+ 0 0 115 -8,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.064 120.9 42.9-161.5 17.9 -33.6 23.4 46.2 629 335 A V S >> S+ 0 0 23 -9,-0.2 3,-0.5 -12,-0.1 4,-0.5 0.394 104.4 60.4-137.2 -34.9 -34.5 20.3 48.2 630 336 A K H 3> S+ 0 0 36 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.771 102.0 55.7 -70.5 -24.9 -37.8 21.3 49.6 631 337 A E H 3> S+ 0 0 64 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.669 99.2 62.6 -78.5 -16.2 -39.0 21.6 46.0 632 338 A A H <> S+ 0 0 4 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.682 99.7 52.6 -79.6 -20.2 -37.9 18.0 45.6 633 339 A Y H X S+ 0 0 30 -4,-0.5 4,-3.1 -3,-0.5 5,-0.4 0.946 104.4 56.3 -75.6 -52.5 -40.5 17.0 48.2 634 340 A N H X S+ 0 0 55 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.836 113.0 42.0 -45.1 -42.7 -43.1 18.8 46.2 635 341 A L H X S+ 0 0 3 -4,-1.2 4,-2.2 2,-0.2 5,-0.3 0.992 114.3 45.9 -71.4 -64.1 -42.2 16.6 43.2 636 342 A L H X S+ 0 0 25 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.857 114.3 51.3 -47.6 -41.8 -41.8 13.2 44.8 637 343 A H H >X S+ 0 0 58 -4,-3.1 4,-2.2 1,-0.2 3,-0.7 0.971 109.7 49.0 -59.8 -53.5 -45.0 13.7 46.7 638 344 A E H 3X S+ 0 0 24 -4,-1.7 4,-2.2 -5,-0.4 -2,-0.2 0.796 109.7 52.8 -57.5 -30.5 -46.8 14.6 43.5 639 345 A N H 3< S+ 0 0 11 -4,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.808 109.6 48.4 -75.2 -30.6 -45.4 11.5 41.9 640 346 A Q H 4 S+ 0 0 73 2,-0.1 3,-1.2 -5,-0.1 4,-0.5 0.968 105.4 34.3 -80.9 -64.0 -49.3 7.1 41.5 644 350 A E H 3X S+ 0 0 94 -4,-1.8 4,-0.9 1,-0.3 -2,-0.2 0.790 104.1 78.9 -63.3 -23.6 -52.0 5.5 43.7 645 351 A K T 3< S+ 0 0 43 -4,-2.0 -59,-0.5 -5,-0.2 -1,-0.3 0.278 88.7 61.7 -67.3 15.5 -54.4 7.7 41.6 646 352 A L T <4 S+ 0 0 77 -3,-1.2 -1,-0.2 -61,-0.1 -2,-0.2 0.829 103.4 35.8-105.5 -60.7 -53.9 4.9 39.0 647 353 A E T 4 0 0 143 -4,-0.5 -2,-0.1 -3,-0.1 -3,-0.1 0.992 360.0 360.0 -57.5 -66.1 -55.2 1.6 40.4 648 354 A H < 0 0 182 -4,-0.9 -3,-0.1 0, 0.0 -4,-0.0 0.638 360.0 360.0 -99.3 360.0 -58.1 3.1 42.3