==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-OCT-09 3K5W . COMPND 2 MOLECULE: CARBOHYDRATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR L.SATYANARAYANA,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX . 461 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 3.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 39 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 0 1 1 0 2 1 0 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 2 3 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 PARALLEL BRIDGES PER LADDER . 1 1 0 1 1 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 . 1 0 0 0 0 1 0 0 0 1 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 S 0 0 55 0, 0.0 2,-0.4 0, 0.0 211,-0.2 0.000 360.0 360.0 360.0 127.8 33.7 -8.7 22.5 2 2 A L E -A 211 0A 46 209,-2.7 209,-2.8 172,-0.0 2,-0.1 -0.916 360.0-113.8-114.0 140.7 36.5 -6.7 21.0 3 3 A S E -A 210 0A 20 -2,-0.4 172,-0.8 207,-0.2 2,-0.4 -0.410 32.7-153.2 -67.9 143.3 40.1 -6.9 22.1 4 4 A V E -k 175 0B 0 205,-2.2 205,-0.4 170,-0.1 2,-0.3 -0.957 11.7-173.3-124.3 141.7 41.4 -3.7 23.8 5 5 A Y E -k 176 0B 16 170,-2.6 172,-1.9 -2,-0.4 173,-0.2 -0.976 28.1-145.4-134.1 147.5 45.0 -2.4 23.9 6 6 A E S S+ 0 0 88 -2,-0.3 2,-0.3 1,-0.3 172,-0.3 0.865 97.3 5.9 -74.9 -37.2 46.7 0.5 25.8 7 7 A K - 0 0 113 -3,-0.1 -1,-0.3 169,-0.1 3,-0.2 -0.990 57.9-154.1-144.2 143.8 49.0 0.9 22.8 8 8 A V > + 0 0 5 -2,-0.3 4,-2.4 -3,-0.2 5,-0.3 0.187 65.7 112.1-102.7 15.2 49.0 -0.9 19.4 9 9 A N H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.953 78.5 46.5 -51.3 -57.2 52.7 -0.3 19.0 10 10 A A H > S+ 0 0 58 1,-0.2 4,-3.0 -3,-0.2 -1,-0.2 0.877 111.6 53.2 -53.9 -40.7 53.6 -4.0 19.3 11 11 A L H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.870 109.8 45.6 -65.4 -38.7 50.7 -4.8 16.9 12 12 A D H X S+ 0 0 54 -4,-2.4 4,-1.1 -3,-0.3 -1,-0.2 0.929 113.8 50.9 -67.4 -45.2 52.0 -2.5 14.1 13 13 A K H >X S+ 0 0 130 -4,-2.6 4,-2.8 -5,-0.3 3,-1.0 0.942 112.9 45.5 -53.7 -52.8 55.5 -3.8 14.7 14 14 A R H 3X>S+ 0 0 53 -4,-3.0 5,-1.9 1,-0.3 4,-1.8 0.719 103.1 63.8 -65.8 -24.8 54.2 -7.3 14.4 15 15 A A H 3<5S+ 0 0 1 -4,-1.3 6,-2.8 3,-0.2 -1,-0.3 0.787 114.7 34.2 -70.2 -25.6 52.1 -6.4 11.3 16 16 A I H <<5S+ 0 0 50 -4,-1.1 4,-0.3 -3,-1.0 -2,-0.2 0.850 126.0 37.5 -94.4 -44.4 55.4 -5.7 9.6 17 17 A E H <5S+ 0 0 121 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.856 132.6 21.3 -79.9 -38.1 57.7 -8.3 11.2 18 18 A E T <5S+ 0 0 123 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.813 131.9 37.9 -98.7 -39.4 55.4 -11.3 11.4 19 19 A L S - 0 0 54 -2,-0.2 4,-2.0 1,-0.1 3,-0.1 -0.693 19.0-116.2-103.3 161.3 54.4 -2.7 4.8 23 23 A E H > S+ 0 0 99 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.891 116.8 59.6 -62.3 -36.3 53.8 0.7 6.4 24 24 A D H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 106.8 45.9 -57.1 -44.1 52.4 1.9 3.0 25 25 A I H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.867 111.1 52.2 -68.6 -38.5 49.8 -0.9 3.0 26 26 A L H X S+ 0 0 18 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.973 114.6 42.4 -62.0 -51.2 48.8 -0.1 6.7 27 27 A X H X S+ 0 0 13 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.877 111.6 53.4 -61.5 -43.4 48.3 3.6 5.9 28 28 A E H X S+ 0 0 41 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.909 112.4 46.3 -60.7 -40.3 46.5 3.0 2.6 29 29 A N H X S+ 0 0 25 -4,-2.0 4,-2.5 167,-0.2 -2,-0.2 0.902 108.8 53.8 -68.4 -41.2 44.1 0.7 4.4 30 30 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 107.9 53.1 -57.7 -39.8 43.7 3.3 7.2 31 31 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.824 107.3 50.6 -65.7 -31.4 42.8 5.7 4.4 32 32 A X H X S+ 0 0 74 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.901 106.5 53.6 -73.0 -40.7 40.2 3.3 3.2 33 33 A A H X S+ 0 0 13 -4,-2.5 4,-1.5 162,-0.3 -2,-0.2 0.897 111.5 46.8 -58.8 -40.2 38.6 3.0 6.6 34 34 A L H X S+ 0 0 1 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.903 110.7 52.3 -68.1 -40.7 38.4 6.8 6.7 35 35 A E H X S+ 0 0 23 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.922 106.4 52.9 -60.7 -45.3 36.9 6.8 3.2 36 36 A R H X S+ 0 0 117 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.872 108.3 52.2 -58.2 -38.6 34.3 4.3 4.2 37 37 A A H < S+ 0 0 1 -4,-1.5 4,-0.5 -5,-0.2 -1,-0.2 0.842 110.2 47.5 -68.7 -34.4 33.3 6.6 7.1 38 38 A V H >X S+ 0 0 0 -4,-1.8 3,-1.0 2,-0.2 4,-0.9 0.920 111.0 50.1 -72.8 -43.2 33.0 9.6 4.8 39 39 A L H 3< S+ 0 0 66 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.779 109.5 54.0 -64.2 -27.6 30.9 7.7 2.3 40 40 A Q T 3< S+ 0 0 111 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.593 120.9 27.8 -83.4 -12.9 28.6 6.5 5.1 41 41 A N T <4 S+ 0 0 68 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.258 116.7 50.9-133.8 14.6 27.9 10.0 6.5 42 42 A A S < S- 0 0 12 -4,-0.9 -1,-0.2 -3,-0.1 2,-0.0 -0.969 74.3-117.7-155.6 137.0 28.2 12.4 3.5 43 43 A S > - 0 0 101 -2,-0.3 3,-2.2 1,-0.1 2,-1.5 -0.321 45.5 -86.9 -73.4 156.5 26.8 12.6 -0.0 44 44 A L T 3 S+ 0 0 127 1,-0.3 28,-0.2 -5,-0.1 -1,-0.1 -0.432 119.8 30.8 -64.4 87.1 28.9 12.5 -3.2 45 45 A G T 3 S+ 0 0 37 -2,-1.5 -1,-0.3 26,-0.3 28,-0.2 0.153 84.4 132.6 149.1 -18.4 29.7 16.2 -3.6 46 46 A A < - 0 0 12 -3,-2.2 27,-2.4 25,-0.2 2,-0.5 0.014 63.1-100.5 -56.1 164.7 29.9 17.5 -0.0 47 47 A K E -l 73 0C 45 25,-0.2 66,-2.6 27,-0.1 67,-1.4 -0.788 38.5-167.1 -91.5 127.6 32.7 19.6 1.3 48 48 A V E -lm 74 114C 0 25,-3.2 27,-2.0 -2,-0.5 2,-0.5 -0.969 5.7-163.5-122.4 123.0 35.2 17.7 3.4 49 49 A I E -lm 75 115C 0 65,-1.9 67,-3.1 -2,-0.5 2,-0.5 -0.900 5.1-169.9-106.6 130.7 37.9 19.4 5.5 50 50 A I E -lm 76 116C 0 25,-2.3 27,-2.4 -2,-0.5 2,-0.6 -0.974 9.4-153.8-122.8 120.3 40.8 17.3 6.7 51 51 A L E -lm 77 117C 1 65,-2.6 67,-1.5 -2,-0.5 2,-0.5 -0.823 15.8-157.4 -93.2 123.7 43.2 18.7 9.4 52 52 A C E -lm 78 118C 0 25,-2.9 28,-1.3 -2,-0.6 27,-1.1 -0.898 6.7-164.0-111.0 128.0 46.7 17.1 9.1 53 53 A G - 0 0 0 65,-2.6 67,-0.1 -2,-0.5 27,-0.1 -0.035 37.5 -96.9 -84.9-163.9 49.3 16.9 11.8 54 54 A S S S+ 0 0 26 65,-0.4 29,-2.1 28,-0.1 30,-1.8 0.524 94.3 56.9 -99.2 -8.4 53.0 16.2 11.3 55 55 A G S > S- 0 0 24 64,-0.5 4,-1.4 28,-0.2 -2,-0.1 -0.140 108.9 -63.1-104.8-155.9 53.2 12.5 12.0 56 56 A D H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.723 127.5 62.2 -64.1 -25.7 51.6 9.3 10.7 57 57 A N H >> S+ 0 0 13 2,-0.2 4,-1.5 1,-0.2 3,-0.5 0.973 106.7 44.3 -64.4 -52.3 48.2 10.4 11.8 58 58 A G H 3> S+ 0 0 0 61,-0.4 4,-1.8 1,-0.3 -2,-0.2 0.837 106.4 63.8 -58.8 -31.7 48.4 13.4 9.5 59 59 A G H 3X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 3,-0.3 0.929 98.9 52.2 -57.2 -45.5 49.8 10.8 7.0 60 60 A D H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 3,-0.7 0.918 108.1 52.5 -50.1 -46.5 42.5 13.5 0.8 66 66 A R H >< S+ 0 0 50 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.939 108.0 49.8 -55.3 -50.9 44.2 11.7 -2.1 67 67 A R H 3< S+ 0 0 74 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.656 108.6 53.1 -65.4 -19.4 41.5 9.1 -2.2 68 68 A L H XX S+ 0 0 0 -4,-1.4 3,-2.7 -3,-0.7 4,-1.1 0.678 74.3 120.9 -92.1 -19.3 38.6 11.6 -2.2 69 69 A V B << S+r 72 0D 63 -4,-1.2 4,-0.1 -3,-0.8 30,-0.1 -0.193 80.6 20.1 -47.7 126.6 39.7 13.8 -5.1 70 70 A G T 34 S+ 0 0 77 2,-0.6 -1,-0.3 -25,-0.0 3,-0.1 0.133 121.2 58.0 99.1 -21.4 36.9 13.7 -7.7 71 71 A R T <4 S+ 0 0 87 -3,-2.7 -26,-0.3 1,-0.2 2,-0.3 0.476 112.9 22.1-116.1 -8.9 34.0 12.6 -5.4 72 72 A F B < S-r 69 0D 15 -4,-1.1 2,-0.9 -28,-0.2 -2,-0.6 -0.974 80.1-105.2-152.5 160.9 34.2 15.4 -2.9 73 73 A R E -l 47 0C 154 -27,-2.4 -25,-3.2 -2,-0.3 2,-0.4 -0.839 48.6-166.2 -93.9 107.3 35.4 19.0 -2.5 74 74 A V E +l 48 0C 19 -2,-0.9 26,-0.6 -27,-0.2 2,-0.4 -0.824 20.2 178.9-105.9 134.1 38.5 18.5 -0.3 75 75 A L E -ln 49 100C 14 -27,-2.0 -25,-2.3 -2,-0.4 2,-0.6 -0.995 13.2-158.6-129.5 121.1 40.5 21.1 1.6 76 76 A V E -ln 50 101C 0 24,-2.9 26,-3.2 -2,-0.4 2,-0.7 -0.903 1.7-157.3-106.2 124.7 43.4 20.0 3.6 77 77 A F E -ln 51 102C 18 -27,-2.4 -25,-2.9 -2,-0.6 2,-1.5 -0.898 10.5-146.4-101.2 114.4 44.7 22.2 6.4 78 78 A E E +ln 52 103C 11 24,-2.4 26,-0.7 -2,-0.7 -25,-0.1 -0.643 20.1 179.4 -80.1 88.2 48.3 21.5 7.2 79 79 A X S S+ 0 0 13 -2,-1.5 2,-0.3 -27,-1.1 -26,-0.2 0.828 72.0 15.1 -59.8 -35.3 48.1 22.2 11.0 80 80 A K S S- 0 0 67 -28,-1.3 -1,-0.1 -3,-0.1 3,-0.1 -0.987 93.0 -99.4-139.8 146.7 51.8 21.3 11.4 81 81 A L - 0 0 127 -2,-0.3 2,-0.2 1,-0.1 7,-0.1 -0.304 53.6 -93.0 -62.7 152.7 54.6 21.0 8.8 82 82 A T + 0 0 22 1,-0.2 -28,-0.1 5,-0.1 -27,-0.1 -0.449 53.4 156.6 -71.6 139.3 55.3 17.4 7.9 83 83 A K + 0 0 164 -29,-2.1 -28,-0.2 -2,-0.2 -1,-0.2 0.618 48.6 78.8-123.4 -61.3 58.1 15.6 9.8 84 84 A S S > S- 0 0 24 -30,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.137 80.2-125.6 -52.1 146.7 57.5 11.8 9.7 85 85 A P H > S+ 0 0 104 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.948 110.0 51.0 -63.9 -46.2 58.6 10.3 6.4 86 86 A X H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.878 110.0 52.1 -57.6 -36.9 55.3 8.6 5.7 87 87 A C H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.917 110.3 46.7 -66.1 -43.4 53.6 11.9 6.3 88 88 A Q H X S+ 0 0 103 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.883 112.1 51.2 -67.1 -37.0 55.9 13.7 3.8 89 89 A L H X S+ 0 0 75 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.953 111.2 47.0 -64.3 -49.0 55.4 11.0 1.2 90 90 A Q H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.800 109.1 55.1 -63.2 -30.5 51.6 11.2 1.5 91 91 A K H X S+ 0 0 39 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.936 109.2 47.0 -68.9 -43.6 51.7 15.0 1.3 92 92 A E H X S+ 0 0 89 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.891 111.9 51.2 -62.5 -40.4 53.6 14.8 -2.0 93 93 A R H X S+ 0 0 71 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.914 109.1 50.9 -63.9 -42.5 51.2 12.2 -3.2 94 94 A A H ><>S+ 0 0 0 -4,-2.3 5,-1.9 2,-0.2 3,-0.6 0.940 110.2 48.2 -60.3 -50.0 48.2 14.4 -2.3 95 95 A K H ><5S+ 0 0 107 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.932 114.2 46.8 -56.5 -46.4 49.7 17.4 -4.2 96 96 A K H 3<5S+ 0 0 169 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.706 107.2 59.0 -69.3 -18.3 50.4 15.3 -7.2 97 97 A A T <<5S- 0 0 35 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.201 123.6-100.8 -95.5 15.3 46.9 13.8 -6.9 98 98 A G T < 5 + 0 0 56 -3,-1.5 2,-0.4 1,-0.2 -3,-0.2 0.848 67.3 156.9 71.6 35.5 45.3 17.3 -7.3 99 99 A V < - 0 0 14 -5,-1.9 2,-0.9 -6,-0.1 -1,-0.2 -0.762 43.1-128.0 -94.9 138.1 44.5 17.9 -3.6 100 100 A V E +n 75 0C 73 -26,-0.6 -24,-2.9 -2,-0.4 2,-0.5 -0.759 32.8 179.4 -87.8 109.7 44.0 21.4 -2.3 101 101 A I E -n 76 0C 37 -2,-0.9 2,-0.4 -26,-0.2 -24,-0.2 -0.950 1.8-178.1-114.4 125.9 46.3 21.8 0.6 102 102 A K E -n 77 0C 110 -26,-3.2 -24,-2.4 -2,-0.5 2,-0.5 -0.922 28.3-121.5-123.1 148.7 46.5 25.1 2.5 103 103 A T E -n 78 0C 104 -2,-0.4 -24,-0.1 -26,-0.2 2,-0.1 -0.764 36.2-132.3 -86.7 130.4 48.6 26.1 5.4 104 104 A Y + 0 0 40 -26,-0.7 2,-0.3 -2,-0.5 3,-0.1 -0.408 26.9 175.5 -85.5 160.6 46.4 27.2 8.3 105 105 A E - 0 0 127 -2,-0.1 -26,-0.0 1,-0.1 -2,-0.0 -0.918 39.3-119.3-164.3 137.5 46.7 30.3 10.5 106 106 A E 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.834 360.0 360.0 -45.1 -44.7 44.6 31.9 13.3 107 107 A N 0 0 192 -3,-0.1 -1,-0.2 0, 0.0 0, 0.0 -0.395 360.0 360.0 -64.4 360.0 43.9 35.1 11.3 108 ! 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 0.0 109 112 A N 0 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.4 35.0 29.3 6.1 110 113 A L + 0 0 35 2,-0.0 2,-0.3 31,-0.0 30,-0.2 0.184 360.0 133.6 -77.1 20.0 35.9 26.1 8.1 111 114 A E + 0 0 130 30,-0.1 2,-0.3 28,-0.1 30,-0.2 -0.560 27.0 144.8 -73.9 132.5 32.3 25.3 7.1 112 115 A C E - o 0 141C 8 28,-2.0 30,-1.8 -2,-0.3 3,-0.2 -0.975 58.4-119.6-161.5 168.1 32.1 21.8 5.8 113 116 A D E S+ 0 0 55 -66,-2.6 30,-1.7 1,-0.3 2,-0.3 0.799 103.8 12.2 -84.7 -32.9 29.9 18.7 5.6 114 117 A V E -mo 48 143C 1 -67,-1.4 -65,-1.9 28,-0.2 2,-0.4 -0.937 66.9-162.0-151.2 123.3 32.4 16.5 7.4 115 118 A L E -mo 49 144C 0 28,-3.0 30,-2.9 -2,-0.3 2,-0.5 -0.863 11.1-153.8-104.3 137.4 35.6 17.5 9.2 116 119 A I E -mo 50 145C 0 -67,-3.1 -65,-2.6 -2,-0.4 2,-0.8 -0.954 6.4-144.4-122.2 122.3 38.3 15.0 9.9 117 120 A D E +mo 51 146C 0 28,-2.7 30,-2.4 -2,-0.5 32,-0.2 -0.708 37.6 147.4 -83.9 108.0 40.7 15.2 12.7 118 121 A C E +m 52 0C 0 -67,-1.5 -65,-2.6 -2,-0.8 -57,-0.2 -0.111 37.4 108.2-130.5 36.1 44.2 13.9 11.7 119 122 A V S S+ 0 0 5 1,-0.3 -64,-0.5 -67,-0.3 -65,-0.4 0.971 84.4 3.8 -80.8 -59.4 46.4 16.1 13.8 120 123 A I - 0 0 53 29,-0.2 -1,-0.3 -67,-0.1 29,-0.2 -0.994 65.4-172.1-132.5 140.2 47.8 14.0 16.6 121 124 A G > - 0 0 10 -2,-0.4 3,-0.7 -3,-0.1 32,-0.3 0.492 59.1 -33.3 -96.6-122.1 47.4 10.2 17.1 122 125 A S T 3 S+ 0 0 41 1,-0.2 33,-0.2 29,-0.1 26,-0.0 0.195 122.7 68.6 -91.8 13.6 48.3 7.9 20.0 123 126 A H T 3 + 0 0 120 31,-0.1 -1,-0.2 2,-0.1 31,-0.1 0.189 63.6 147.2-117.0 15.4 51.5 9.7 20.9 124 127 A F < - 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0 0 47 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.0 -0.478 56.2 -98.4 -73.8 156.7 25.7 -18.2 36.1 425 429 A T > - 0 0 74 -2,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.430 35.3-106.7 -73.7 156.4 29.3 -17.8 37.2 426 430 A P H > S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.906 122.1 46.7 -49.3 -46.7 30.0 -14.7 39.2 427 431 A L H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.931 113.6 48.0 -62.7 -45.8 31.8 -13.1 36.2 428 432 A D H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.826 109.4 53.9 -64.5 -32.0 29.1 -14.1 33.8 429 433 A A H X S+ 0 0 0 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.839 111.6 44.9 -72.0 -31.6 26.4 -12.7 36.1 430 434 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.912 114.3 48.9 -76.3 -43.5 28.2 -9.4 36.2 431 435 A I H X S+ 0 0 16 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.948 118.2 37.1 -61.1 -52.0 28.8 -9.2 32.5 432 436 A N H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.872 115.4 52.3 -73.4 -35.8 25.3 -10.1 31.4 433 437 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.3 -1,-0.2 0.942 110.0 50.6 -63.5 -44.5 23.5 -8.2 34.1 434 438 A S H < S+ 0 0 3 -4,-2.2 5,-0.2 1,-0.2 -1,-0.2 0.877 114.8 44.1 -58.9 -39.3 25.5 -5.1 33.2 435 439 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 5,-0.3 0.885 113.4 47.2 -74.1 -43.5 24.6 -5.6 29.5 436 440 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.974 110.9 59.2 -60.4 -53.3 20.8 -6.3 30.0 437 441 A H H < S+ 0 0 13 -4,-2.8 2,-1.3 -5,-0.3 -38,-0.1 -0.498 114.7 26.8 -66.5 146.5 20.8 -3.3 32.3 438 442 A A H > S+ 0 0 2 1,-0.2 4,-1.1 -2,-0.1 -1,-0.2 -0.459 114.5 61.9 93.8 -65.5 22.0 -0.5 30.0 439 443 A L H >< S+ 0 0 16 -4,-1.9 3,-0.6 -2,-1.3 4,-0.2 0.909 108.2 48.3 -57.7 -37.6 20.7 -2.0 26.8 440 444 A A G >< S+ 0 0 0 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.3 0.776 101.9 61.9 -71.9 -27.9 17.4 -1.7 28.6 441 445 A S G >4 S+ 0 0 2 1,-0.2 3,-0.7 -5,-0.2 -1,-0.2 0.724 92.1 66.8 -71.6 -19.1 18.2 1.9 29.5 442 446 A L G << S+ 0 0 85 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.632 82.7 79.0 -74.9 -12.0 18.3 2.7 25.8 443 447 A E G < + 0 0 104 -3,-1.2 2,-0.5 -4,-0.2 -1,-0.2 0.107 69.3 104.2 -84.6 21.3 14.5 2.0 25.6 444 448 A F < - 0 0 29 -3,-0.7 3,-0.1 1,-0.2 6,-0.1 -0.905 62.5-148.3-109.4 127.7 13.4 5.4 27.1 445 449 A K S S+ 0 0 201 -2,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.954 92.3 32.9 -53.6 -52.2 12.0 8.1 24.9 446 450 A N S > S- 0 0 68 -3,-0.1 3,-2.0 1,-0.1 -1,-0.2 -0.924 73.0-144.6-113.1 126.2 13.4 10.8 27.2 447 451 A N T 3 S+ 0 0 100 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.295 100.3 58.4 -70.3 13.4 16.7 10.3 29.0 448 452 A Y T 3 S+ 0 0 162 1,-0.1 -1,-0.3 -45,-0.1 -3,-0.0 0.475 94.0 65.0-114.3 -9.8 15.3 12.3 31.9 449 453 A A < + 0 0 44 -3,-2.0 2,-0.5 2,-0.0 -2,-0.1 0.047 65.7 133.2-103.9 26.0 12.3 10.0 32.6 450 454 A L + 0 0 0 -48,-0.2 -42,-0.1 -3,-0.1 -45,-0.1 -0.658 28.2 173.2 -81.2 122.2 14.1 6.8 33.6 451 455 A T > - 0 0 54 -2,-0.5 4,-2.9 1,-0.1 5,-0.2 -0.941 41.4-113.4-128.4 151.7 12.6 5.3 36.8 452 456 A P H > S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.893 115.0 43.1 -46.7 -53.6 13.4 1.9 38.6 453 457 A L H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.900 115.2 48.6 -65.4 -41.0 10.0 0.3 37.9 454 458 A D H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.892 109.2 55.2 -64.4 -38.1 9.8 1.5 34.3 455 459 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.836 104.7 53.3 -64.4 -32.3 13.4 0.2 33.8 456 460 A I H X S+ 0 0 5 -4,-1.5 4,-2.4 -5,-0.2 -1,-0.2 0.894 105.7 52.3 -70.1 -41.2 12.3 -3.3 35.0 457 461 A E H X S+ 0 0 86 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.924 107.4 52.9 -60.0 -43.8 9.4 -3.5 32.5 458 462 A K H < S+ 0 0 66 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.870 108.8 51.2 -58.2 -37.8 11.9 -2.7 29.8 459 463 A I H >< S+ 0 0 9 -4,-1.4 3,-1.7 1,-0.2 -1,-0.2 0.911 99.9 62.0 -66.7 -42.0 14.0 -5.5 31.1 460 464 A K H 3< S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.790 118.0 30.7 -55.5 -25.8 11.0 -7.9 31.0 461 465 A Q T 3< S+ 0 0 129 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.179 78.2 154.5-121.8 21.2 11.0 -7.3 27.3 462 466 A L < 0 0 25 -3,-1.7 -3,-0.1 -5,-0.1 -22,-0.1 -0.222 360.0 360.0 -48.0 132.3 14.6 -6.7 26.4 463 467 A E 0 0 193 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.341 360.0 360.0 -73.9 360.0 14.9 -7.6 22.7