==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JUN-12 4FV7 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY,VERTEX-CRYSTALLOGRAPHERS . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 3 0 1 0 1 1 1 1 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 2 0 0 2 1 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 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 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 9 A P 0 0 124 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 155.9 22.6 14.0 35.0 2 10 A E E -A 9 0A 53 7,-0.7 7,-2.5 6,-0.0 2,-0.3 -0.670 360.0-142.4 -96.0 149.2 23.6 15.6 31.7 3 11 A M E -A 8 0A 109 -2,-0.3 5,-0.2 5,-0.2 15,-0.1 -0.764 14.5-176.6-104.2 153.3 21.3 17.9 29.6 4 12 A V S S- 0 0 42 3,-1.4 -1,-0.1 -2,-0.3 16,-0.1 0.717 79.1 -16.0-115.9 -52.9 21.3 17.8 25.8 5 13 A R S S- 0 0 183 2,-0.4 -2,-0.1 3,-0.0 3,-0.0 0.461 121.9 -46.4-111.7-100.6 18.8 20.6 24.8 6 14 A G S S+ 0 0 73 -3,-0.1 2,-0.3 2,-0.1 -3,-0.0 0.039 117.1 93.1-122.3 17.1 16.6 21.7 27.7 7 15 A Q S S- 0 0 85 2,-0.0 -3,-1.4 0, 0.0 -2,-0.4 -0.930 79.4-112.2-120.3 140.9 15.8 18.1 28.7 8 16 A V E -A 3 0A 56 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.426 22.5-168.1 -66.6 136.1 17.4 15.8 31.3 9 17 A F E -A 2 0A 1 -7,-2.5 2,-1.7 -2,-0.1 -7,-0.7 -0.687 8.7-174.7-130.1 74.4 19.2 12.7 29.7 10 18 A D + 0 0 81 -2,-0.2 82,-0.1 1,-0.2 -7,-0.1 -0.487 43.1 114.6 -79.1 75.8 19.8 10.6 32.8 11 19 A V > + 0 0 7 -2,-1.7 4,-1.4 4,-0.2 3,-0.3 0.471 54.9 148.0-120.6 -11.0 21.9 7.7 31.4 12 20 A G T 4 + 0 0 40 -3,-0.4 4,-0.1 1,-0.2 0, 0.0 -0.266 40.1 25.9 -78.6 162.4 25.2 8.4 33.3 13 21 A P T 4 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.997 128.5 42.3 -82.1 -11.0 27.8 7.4 34.6 14 22 A R T 4 S+ 0 0 82 -3,-0.3 21,-2.8 1,-0.2 2,-0.6 0.900 121.0 44.6 -61.9 -39.2 27.7 4.3 32.4 15 23 A Y E < S+B 34 0B 5 -4,-1.4 -4,-0.2 19,-0.2 2,-0.2 -0.933 76.1 152.3-113.3 118.8 26.7 6.4 29.3 16 24 A T E +B 33 0B 45 17,-2.1 17,-3.6 -2,-0.6 -2,-0.0 -0.690 39.3 59.7-130.7-178.5 28.6 9.7 28.7 17 25 A N E S- 0 0 111 15,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.940 73.0-161.1 56.9 55.7 29.6 12.1 25.8 18 26 A L E + 0 0 38 14,-0.1 2,-0.3 -3,-0.1 14,-0.2 -0.443 17.0 178.7 -73.3 138.9 26.0 12.7 24.7 19 27 A S E -B 31 0B 59 12,-1.7 12,-2.7 -2,-0.2 2,-0.2 -0.992 32.0-114.1-141.3 129.3 25.1 14.1 21.2 20 28 A Y E +B 30 0B 93 -2,-0.3 10,-0.3 10,-0.2 8,-0.0 -0.452 34.4 170.0 -67.7 129.6 21.6 14.8 19.8 21 29 A I E - 0 0 85 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.724 47.1-103.7-105.7 -44.0 20.7 12.5 16.8 22 30 A G E -B 29 0B 14 7,-1.7 7,-3.0 0, 0.0 -1,-0.3 -0.992 41.0 -57.5 153.4-144.0 17.0 13.2 16.3 23 31 A E E -B 28 0B 132 -2,-0.3 5,-0.2 5,-0.2 4,-0.2 -0.995 25.4-142.6-142.9 149.4 13.5 11.7 17.1 24 32 A G - 0 0 27 3,-1.7 3,-0.1 2,-0.6 5,-0.1 0.063 66.0 -67.0 -84.6-157.6 11.5 8.5 16.3 25 33 A A S S- 0 0 52 1,-0.2 2,-0.3 114,-0.0 -1,-0.0 0.835 131.8 -3.9 -60.0 -28.0 7.7 8.5 15.7 26 34 A Y S S+ 0 0 29 1,-0.1 -2,-0.6 28,-0.0 -1,-0.2 -0.880 113.1 54.6-149.2 165.2 8.0 9.6 19.4 27 35 A G S S- 0 0 12 -2,-0.3 -3,-1.7 -4,-0.2 2,-0.4 0.422 74.9 -91.7 80.4 149.2 11.0 9.9 21.8 28 36 A M E -BC 23 45B 9 17,-1.6 17,-3.3 -5,-0.2 2,-0.4 -0.812 35.0-151.9 -99.8 127.3 14.4 11.7 21.7 29 37 A V E +BC 22 44B 27 -7,-3.0 -8,-2.7 -2,-0.4 -7,-1.7 -0.845 18.4 170.1-107.7 133.7 17.5 9.9 20.2 30 38 A C E -BC 20 43B 0 13,-2.5 13,-3.6 -2,-0.4 2,-0.3 -0.954 29.4-127.6-133.9 155.6 21.1 10.6 21.3 31 39 A S E +BC 19 42B 15 -12,-2.7 -12,-1.7 -2,-0.3 2,-0.3 -0.739 35.6 174.0 -98.3 150.0 24.5 8.9 20.7 32 40 A A E - C 0 41B 0 9,-2.4 9,-3.2 -2,-0.3 2,-0.5 -0.982 34.5-110.6-153.5 157.9 26.6 8.1 23.8 33 41 A Y E -BC 16 40B 77 -17,-3.6 -17,-2.1 -2,-0.3 2,-0.9 -0.850 25.4-141.4 -96.5 124.8 29.8 6.3 24.8 34 42 A D E >> -BC 15 39B 3 5,-2.7 4,-1.1 -2,-0.5 5,-0.8 -0.819 12.5-167.0 -85.6 102.1 29.2 3.1 26.8 35 43 A N T 45S+ 0 0 83 -21,-2.8 -1,-0.2 -2,-0.9 -20,-0.1 0.705 85.1 51.5 -64.7 -21.5 32.1 3.3 29.4 36 44 A V T 45S+ 0 0 95 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.949 120.9 27.7 -81.4 -54.7 31.4 -0.4 30.3 37 45 A N T 45S- 0 0 97 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.358 100.6-130.5 -93.4 5.9 31.6 -2.1 26.7 38 46 A K T <5 + 0 0 60 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.811 69.7 107.2 47.8 46.7 33.9 0.7 25.3 39 47 A V E + 0 0 1 0, 0.0 3,-1.6 0, 0.0 7,-0.5 0.482 31.7 100.6-103.8 -4.4 4.9 8.1 28.0 49 57 A F T 3 S+ 0 0 24 40,-0.4 282,-0.1 1,-0.3 281,-0.1 0.647 73.4 63.5 -65.4 -17.0 3.3 7.7 31.4 50 58 A E T 3 S+ 0 0 154 -3,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.607 103.9 51.7 -81.6 -11.0 0.9 10.7 31.2 51 59 A H <> - 0 0 121 -3,-1.6 4,-2.1 1,-0.1 5,-0.1 -0.986 66.0-146.6-133.9 137.8 -1.1 9.2 28.2 52 60 A Q H > S+ 0 0 76 -2,-0.4 4,-2.4 2,-0.2 5,-0.1 0.904 102.5 49.6 -61.5 -48.6 -2.8 5.8 27.6 53 61 A T H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.865 112.5 47.7 -62.0 -39.9 -2.0 5.7 23.8 54 62 A Y H > S+ 0 0 57 2,-0.2 4,-2.8 -6,-0.2 -1,-0.2 0.908 111.5 51.1 -66.9 -42.2 1.7 6.6 24.4 55 63 A C H X S+ 0 0 0 -4,-2.1 4,-2.6 -7,-0.5 -2,-0.2 0.895 110.1 49.9 -59.7 -44.5 1.9 3.8 27.1 56 64 A Q H X S+ 0 0 29 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.908 113.9 44.3 -59.9 -48.3 0.3 1.3 24.7 57 65 A R H X S+ 0 0 50 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.896 114.2 49.4 -66.1 -43.6 2.8 2.1 21.9 58 66 A T H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.913 112.8 48.0 -61.2 -46.5 5.8 2.2 24.3 59 67 A L H X S+ 0 0 13 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 114.5 45.2 -59.5 -51.6 4.8 -1.2 25.8 60 68 A R H X S+ 0 0 48 -4,-2.4 4,-3.4 2,-0.2 5,-0.2 0.919 112.8 51.2 -57.5 -51.2 4.3 -2.8 22.2 61 69 A E H X S+ 0 0 7 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.917 115.5 41.3 -53.4 -49.7 7.6 -1.3 20.9 62 70 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.924 116.1 49.4 -66.4 -48.4 9.6 -2.7 23.9 63 71 A K H X S+ 0 0 65 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.929 115.3 44.9 -55.5 -47.7 7.7 -6.1 23.9 64 72 A I H X S+ 0 0 6 -4,-3.4 4,-2.5 2,-0.2 -2,-0.2 0.948 113.9 47.6 -62.4 -52.8 8.4 -6.4 20.1 65 73 A L H < S+ 0 0 5 -4,-2.7 11,-0.4 1,-0.2 -1,-0.2 0.857 114.5 47.1 -58.4 -41.2 12.1 -5.4 20.2 66 74 A L H < S+ 0 0 24 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.9 45.7 -72.1 -31.2 12.8 -7.8 23.2 67 75 A R H < S+ 0 0 106 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.864 99.9 83.7 -78.3 -37.6 11.0 -10.7 21.6 68 76 A F < + 0 0 12 -4,-2.5 2,-0.3 -5,-0.2 62,-0.0 -0.407 48.3 174.7 -73.9 138.6 12.6 -10.2 18.1 69 77 A R + 0 0 228 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.817 26.4 130.9-143.8 99.2 16.1 -11.6 17.4 70 78 A H B > -F 73 0C 18 3,-0.5 3,-1.8 -2,-0.3 56,-0.0 -0.980 59.7-125.6-154.7 141.1 17.1 -11.1 13.7 71 79 A E T 3 S+ 0 0 131 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.755 112.1 48.4 -55.8 -32.4 20.2 -9.7 11.8 72 80 A N T 3 S+ 0 0 6 82,-0.1 83,-2.8 50,-0.1 2,-0.4 0.157 103.3 69.4 -99.5 16.8 18.1 -7.2 9.9 73 81 A I B < S-Fg 70 155C 6 -3,-1.8 -3,-0.5 81,-0.3 2,-0.2 -0.995 86.7-122.7-132.3 122.8 16.2 -5.8 13.0 74 82 A I - 0 0 3 81,-1.9 2,-0.2 -2,-0.4 -6,-0.1 -0.484 31.6-150.0 -72.8 132.6 18.1 -3.8 15.5 75 83 A G - 0 0 35 -2,-0.2 2,-0.5 -4,-0.1 21,-0.4 -0.472 18.1 -98.5 -95.1 173.2 17.9 -5.3 19.0 76 84 A I - 0 0 25 -11,-0.4 19,-0.2 -2,-0.2 3,-0.1 -0.826 28.0-178.6 -96.1 129.6 17.9 -3.8 22.5 77 85 A N S S- 0 0 67 17,-3.0 2,-0.3 -2,-0.5 18,-0.2 0.795 70.4 -11.7 -87.4 -40.0 21.3 -3.9 24.4 78 86 A D E -E 94 0B 21 16,-1.2 16,-3.3 2,-0.0 2,-0.4 -0.979 51.7-144.2-159.6 158.5 20.0 -2.2 27.6 79 87 A I E -E 93 0B 1 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.987 16.6-159.1-133.5 121.8 17.0 -0.4 29.1 80 88 A I E +E 92 0B 36 12,-2.8 12,-2.8 -2,-0.4 2,-0.3 -0.913 29.7 135.6-104.6 126.8 17.6 2.4 31.7 81 89 A R - 0 0 18 -2,-0.5 10,-0.1 10,-0.2 7,-0.1 -0.961 58.0 -74.0-160.2 162.1 14.8 3.4 34.1 82 90 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 260,-0.0 -0.200 42.4-117.5 -58.5 151.8 14.4 4.2 37.8 83 91 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.613 96.1 48.9 -69.0 -11.4 14.5 1.2 40.3 84 92 A T S > S- 0 0 46 1,-0.1 4,-1.3 0, 0.0 -2,-0.1 -0.958 78.6-128.2-130.5 151.6 10.8 1.9 41.4 85 93 A I T 4 S+ 0 0 45 -2,-0.3 3,-0.4 1,-0.2 -1,-0.1 0.910 112.1 54.1 -59.0 -43.9 7.5 2.6 39.6 86 94 A E T 4 S+ 0 0 160 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.886 113.5 41.6 -58.4 -44.3 7.0 5.8 41.7 87 95 A Q T 4 S+ 0 0 131 2,-0.0 2,-0.8 1,-0.0 -1,-0.2 0.656 93.8 100.0 -79.4 -17.5 10.5 7.2 40.7 88 96 A M < + 0 0 1 -4,-1.3 3,-0.1 -3,-0.4 247,-0.1 -0.622 26.9 140.2 -78.8 110.6 10.1 6.0 37.0 89 97 A K + 0 0 62 -2,-0.8 -40,-0.4 1,-0.2 2,-0.3 0.550 69.2 34.9-115.4 -20.9 9.1 9.0 34.7 90 98 A D - 0 0 42 -43,-0.1 -8,-0.5 -42,-0.1 2,-0.4 -0.896 61.1-151.1-135.4 159.8 11.3 8.1 31.7 91 99 A V E -D 46 0B 0 -45,-2.2 -45,-3.2 -2,-0.3 2,-0.5 -0.998 9.5-159.0-132.0 130.3 12.6 5.0 29.9 92 100 A Y E -DE 45 80B 7 -12,-2.8 -12,-2.8 -2,-0.4 2,-0.5 -0.969 5.6-159.0-114.5 120.4 15.9 4.9 28.0 93 101 A I E -DE 44 79B 6 -49,-2.4 -49,-2.3 -2,-0.5 2,-0.4 -0.887 8.1-153.9-101.9 126.3 16.4 2.2 25.3 94 102 A V E +DE 43 78B 0 -16,-3.3 -17,-3.0 -2,-0.5 -16,-1.2 -0.851 20.3 164.6-104.4 130.9 20.0 1.4 24.3 95 103 A Q E -D 42 0B 34 -53,-2.6 -53,-3.1 -2,-0.4 -19,-0.1 -0.935 46.9 -82.6-136.8 158.7 21.0 -0.0 20.9 96 104 A D E -D 41 0B 82 -21,-0.4 2,-0.5 -2,-0.3 -55,-0.2 -0.352 54.8-107.1 -57.5 139.9 24.2 -0.4 18.9 97 105 A L - 0 0 57 -57,-1.1 2,-0.3 -65,-0.1 -1,-0.1 -0.653 32.2-154.5 -78.1 119.7 25.1 2.9 17.1 98 106 A M - 0 0 23 -2,-0.5 50,-0.2 1,-0.1 3,-0.0 -0.744 15.1-131.9 -91.0 142.1 24.5 2.5 13.4 99 107 A E S S- 0 0 116 48,-0.4 2,-0.2 -2,-0.3 49,-0.2 0.841 72.5 -24.2 -66.3 -38.4 26.6 4.9 11.2 100 108 A T E -H 147 0C 39 47,-2.2 47,-2.7 -3,-0.0 2,-0.3 -0.851 58.1-115.1-157.7-172.4 23.8 6.2 9.0 101 109 A D E > -H 146 0C 24 45,-0.3 4,-2.1 -2,-0.2 45,-0.2 -0.878 32.7-108.4-133.9 166.5 20.3 5.6 7.5 102 110 A L H > S+ 0 0 0 43,-2.3 4,-2.8 40,-1.2 41,-0.2 0.843 116.8 59.0 -67.5 -30.4 19.0 5.1 3.9 103 111 A Y H > S+ 0 0 105 39,-0.8 4,-1.2 42,-0.2 -1,-0.2 0.956 109.3 42.4 -60.5 -52.9 17.3 8.6 4.0 104 112 A K H > S+ 0 0 112 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.886 115.6 50.6 -62.2 -40.3 20.7 10.4 4.6 105 113 A L H >X S+ 0 0 22 -4,-2.1 4,-2.5 1,-0.2 3,-1.0 0.944 108.3 51.3 -62.8 -48.2 22.4 8.1 2.0 106 114 A L H 3< S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.701 97.5 69.3 -64.3 -23.5 19.8 8.8 -0.7 107 115 A K H 3< S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.884 124.5 4.7 -60.6 -41.5 20.1 12.6 -0.2 108 116 A T H << S+ 0 0 111 -3,-1.0 2,-0.5 -4,-0.7 -2,-0.2 0.432 113.8 82.6-125.9 -4.7 23.7 12.6 -1.7 109 117 A Q < - 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0 0 27 -3,-1.8 5,-0.1 -4,-0.3 16,-0.1 -0.556 64.3-121.8 -78.2 128.9 0.9 5.1 2.9 185 193 A A >> - 0 0 0 -2,-0.3 3,-1.4 14,-0.1 4,-0.6 -0.253 26.4-112.4 -64.8 148.4 -0.9 2.5 0.7 186 194 A P H >> S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.859 114.4 62.5 -56.1 -34.3 -3.8 3.9 -1.4 187 195 A E H >>>S+ 0 0 6 99,-0.3 4,-3.0 1,-0.2 5,-1.9 0.729 88.0 70.9 -65.3 -22.1 -6.4 1.8 0.7 188 196 A I H <45S+ 0 0 1 -3,-1.4 -13,-0.4 1,-0.2 -1,-0.2 0.905 103.7 42.2 -56.8 -42.9 -5.4 3.8 3.9 189 197 A M H <<5S+ 0 0 0 -3,-0.9 -15,-1.8 -4,-0.6 -1,-0.2 0.579 124.7 38.4 -76.8 -16.7 -7.2 6.9 2.4 190 198 A L H <<5S- 0 0 1 -4,-0.5 -2,-0.2 -3,-0.5 60,-0.2 0.866 134.7 -33.9-105.1 -54.3 -10.1 4.7 1.2 191 199 A N T <5S+ 0 0 15 -4,-3.0 -20,-1.5 -18,-0.1 2,-0.4 0.281 96.2 102.4-161.4 17.1 -11.2 1.9 3.6 192 200 A S B < -K 170 0E 2 -5,-1.9 -22,-0.2 -22,-0.2 -17,-0.1 -0.949 46.7-160.7-122.6 140.1 -8.2 0.5 5.5 193 201 A K - 0 0 78 -24,-2.1 -23,-0.1 -2,-0.4 -1,-0.1 0.383 55.1-110.9 -86.8 -2.9 -6.9 0.9 9.1 194 202 A G S S+ 0 0 0 -25,-0.3 -25,-0.1 1,-0.1 -24,-0.1 0.863 78.0 133.1 71.1 37.0 -3.5 -0.5 8.0 195 203 A Y + 0 0 39 -30,-0.1 -30,-2.9 -26,-0.1 2,-0.3 0.134 48.2 82.3-103.4 16.7 -4.0 -3.8 10.0 196 204 A T S > S- 0 0 25 -32,-0.2 3,-1.9 -31,-0.1 4,-0.3 -0.913 83.8-119.4-124.4 152.1 -2.9 -6.2 7.2 197 205 A K T >> S+ 0 0 76 -2,-0.3 3,-1.4 1,-0.3 4,-1.2 0.774 106.6 74.0 -57.0 -31.8 0.6 -7.2 6.1 198 206 A S H 3> S+ 0 0 22 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.712 84.7 67.8 -57.6 -21.5 -0.0 -5.8 2.6 199 207 A I H <> S+ 0 0 5 -3,-1.9 4,-1.4 1,-0.2 -1,-0.3 0.884 101.0 46.2 -68.8 -35.2 0.4 -2.3 4.1 200 208 A D H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.3 -1,-0.2 0.855 107.3 57.1 -73.7 -37.9 4.1 -2.9 4.7 201 209 A I H X S+ 0 0 2 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.884 104.4 52.7 -60.5 -42.5 4.7 -4.3 1.2 202 210 A W H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.928 109.3 49.9 -55.3 -51.0 3.4 -1.0 -0.3 203 211 A S H X S+ 0 0 8 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.883 109.8 49.7 -57.0 -43.0 5.9 0.9 1.9 204 212 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.892 108.7 53.5 -63.6 -39.9 8.8 -1.4 0.7 205 213 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 108.6 49.3 -58.1 -43.9 7.6 -0.8 -2.9 206 214 A C H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 11,-0.4 0.863 110.8 50.7 -61.7 -40.0 7.8 3.0 -2.3 207 215 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.918 109.0 50.9 -65.1 -43.8 11.4 2.5 -0.8 208 216 A L H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.938 110.5 48.5 -59.9 -48.5 12.4 0.5 -3.9 209 217 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 6,-0.2 0.901 112.4 50.3 -55.4 -41.4 11.2 3.3 -6.2 210 218 A E H X>S+ 0 0 9 -4,-2.1 4,-3.0 1,-0.2 5,-0.5 0.855 107.0 52.8 -67.9 -37.7 13.1 5.8 -4.1 211 219 A M H <5S+ 0 0 1 -4,-2.3 -100,-0.4 1,-0.2 -1,-0.2 0.800 107.4 54.5 -66.9 -29.1 16.3 3.8 -4.2 212 220 A L H <5S+ 0 0 28 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.815 127.7 14.7 -74.2 -31.2 16.0 3.8 -8.0 213 221 A S H <5S- 0 0 51 -4,-1.2 -2,-0.2 2,-0.3 -3,-0.2 0.534 92.5-120.7-124.7 -8.3 15.8 7.6 -8.4 214 222 A N T <5S+ 0 0 51 -4,-3.0 -3,-0.1 1,-0.2 -4,-0.1 0.805 86.2 91.4 69.6 28.3 16.9 9.3 -5.0 215 223 A R S S- 0 0 105 1,-0.1 4,-1.5 -41,-0.0 -1,-0.2 -0.938 94.8 -74.2-161.3 170.3 -1.6 16.5 2.3 223 231 A Y H > S+ 0 0 41 -2,-0.3 4,-0.5 1,-0.2 3,-0.5 0.820 126.1 29.3 -38.5 -67.5 -3.9 13.6 3.1 224 232 A L H >> S+ 0 0 40 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.795 110.0 68.6 -73.7 -29.2 -5.9 13.2 -0.2 225 233 A D H 3> S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.821 92.3 63.8 -54.3 -34.4 -3.0 14.6 -2.4 226 234 A Q H 3X S+ 0 0 0 -4,-1.5 4,-1.7 -3,-0.5 -1,-0.2 0.889 103.0 46.1 -57.3 -42.1 -1.2 11.3 -1.5 227 235 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.3 0.946 113.5 44.5 -63.5 -50.0 -0.5 7.2 -6.5 231 239 A L H 3X S+ 0 0 3 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.773 102.7 68.0 -68.4 -24.5 -3.3 7.2 -9.2 232 240 A G H 3< S+ 0 0 36 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.764 115.4 26.1 -62.6 -26.4 -1.2 9.6 -11.3 233 241 A I H << S+ 0 0 23 -3,-1.3 30,-3.3 -4,-0.7 -2,-0.2 0.834 127.9 40.7-104.0 -49.1 1.4 6.7 -11.8 234 242 A L H < S- 0 0 23 -4,-2.6 28,-0.2 28,-0.2 -3,-0.2 0.742 104.2-138.6 -70.8 -25.6 -0.7 3.5 -11.5 235 243 A G < - 0 0 4 -4,-1.6 26,-0.2 -5,-0.4 -1,-0.2 -0.177 44.9 -28.8 87.1 177.4 -3.6 5.0 -13.4 236 244 A S S S- 0 0 45 24,-3.2 26,-0.1 1,-0.1 23,-0.1 -0.358 75.5-105.3 -61.0 139.7 -7.3 4.6 -12.6 237 245 A P - 0 0 23 0, 0.0 -1,-0.1 0, 0.0 23,-0.0 -0.314 37.6-108.4 -67.4 148.1 -8.2 1.4 -10.8 238 246 A S > - 0 0 56 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.170 27.8-106.1 -67.2 164.6 -10.0 -1.3 -12.8 239 247 A Q H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.902 122.4 54.9 -58.8 -40.4 -13.7 -2.2 -12.3 240 248 A E H > S+ 0 0 124 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.900 109.5 45.3 -60.0 -45.8 -12.6 -5.4 -10.5 241 249 A D H 4 S+ 0 0 19 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.820 113.3 50.5 -70.4 -31.0 -10.4 -3.5 -8.0 242 250 A L H >< S+ 0 0 11 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.885 103.5 58.4 -71.3 -37.4 -13.3 -1.0 -7.5 243 251 A N H 3< S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.774 98.0 62.0 -63.1 -26.5 -15.8 -3.8 -6.8 244 252 A X T 3< S+ 0 0 124 -4,-1.0 2,-0.9 -5,-0.2 -1,-0.3 0.720 89.5 78.0 -69.2 -22.6 -13.4 -4.9 -4.0 245 253 A I < + 0 0 10 -3,-1.7 -1,-0.1 -4,-0.3 6,-0.1 -0.794 56.2 172.8 -91.9 100.9 -14.2 -1.5 -2.3 246 254 A I + 0 0 137 -2,-0.9 2,-0.3 -55,-0.1 -1,-0.2 0.815 47.5 102.3 -77.8 -32.2 -17.6 -1.9 -0.7 247 255 A N > - 0 0 50 1,-0.1 4,-2.6 -76,-0.1 5,-0.2 -0.393 65.1-151.0 -60.3 115.0 -17.6 1.5 1.1 248 256 A L H > S+ 0 0 117 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.848 91.1 51.9 -56.2 -45.9 -19.8 3.8 -1.1 249 257 A K H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 113.6 44.6 -61.2 -42.6 -18.0 7.1 -0.2 250 258 A A H > S+ 0 0 0 -60,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.946 116.6 45.7 -67.8 -46.5 -14.6 5.7 -1.1 251 259 A R H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.916 113.5 48.6 -62.1 -46.0 -15.9 4.0 -4.4 252 260 A N H X S+ 0 0 86 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.815 108.3 55.5 -66.1 -32.4 -17.9 7.1 -5.5 253 261 A Y H >X S+ 0 0 46 -4,-1.8 4,-0.6 -5,-0.2 3,-0.5 0.964 110.5 44.3 -61.6 -51.5 -14.8 9.3 -4.9 254 262 A L H >< S+ 0 0 10 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.918 112.9 51.9 -60.1 -41.3 -12.7 7.1 -7.2 255 263 A L H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.752 102.8 60.5 -65.4 -27.4 -15.5 7.0 -9.8 256 264 A S H << S+ 0 0 86 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.613 87.5 95.5 -75.3 -14.3 -15.8 10.8 -9.8 257 265 A L S << S- 0 0 36 -3,-1.2 3,-0.1 -4,-0.6 -21,-0.0 -0.561 86.1-103.9 -81.6 143.6 -12.1 11.3 -10.9 258 266 A P - 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