==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-13 4IZA . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.D.MACE,H.ROBINSON,S.J.RIEDL . 778 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 499 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 10.9 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 . 5 0.6 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 4 4 0 2 1 2 3 2 3 1 1 0 3 0 1 0 2 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 . 1 6 4 0 0 4 1 1 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 . 4 0 2 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 11 A P 0 0 121 0, 0.0 9,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 0.0 17.2 -2.3 2 12 A E - 0 0 50 7,-0.2 7,-2.7 6,-0.1 2,-0.3 -0.221 360.0-155.9 -57.6 146.2 -0.3 18.4 -5.9 3 13 A M E -A 8 0A 108 5,-0.2 2,-0.3 7,-0.1 5,-0.2 -0.946 15.0-174.9-129.0 148.5 -2.6 16.4 -8.2 4 14 A V E > S-A 7 0A 17 3,-2.6 3,-2.2 -2,-0.3 15,-0.0 -0.975 76.7 -10.5-145.9 129.1 -2.9 15.9 -11.9 5 15 A R T 3 S- 0 0 168 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.859 129.1 -57.6 50.5 38.0 -5.6 13.9 -13.8 6 16 A G T 3 S+ 0 0 59 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.607 115.6 117.1 68.9 14.8 -6.7 12.6 -10.3 7 17 A Q E < S-A 4 0A 101 -3,-2.2 -3,-2.6 2,-0.0 -1,-0.2 -0.893 72.7-107.7-112.1 141.9 -3.2 11.2 -9.6 8 18 A V E +A 3 0A 56 -2,-0.4 -5,-0.2 -5,-0.2 -6,-0.1 -0.449 34.6 175.0 -62.9 135.0 -0.8 12.3 -6.9 9 19 A F - 0 0 0 -7,-2.7 2,-1.7 -2,-0.1 3,-0.2 -0.567 10.5-174.8-141.7 75.0 2.1 14.2 -8.3 10 20 A D + 0 0 76 1,-0.2 82,-0.1 -9,-0.1 -7,-0.1 -0.497 39.1 118.8 -89.2 77.0 3.8 15.2 -5.1 11 21 A V > + 0 0 1 -2,-1.7 4,-1.6 4,-0.2 3,-0.3 0.377 50.3 144.7-119.6 -4.5 6.7 17.4 -6.1 12 22 A G T 4 + 0 0 27 1,-0.2 4,-0.1 -3,-0.2 -10,-0.0 -0.399 41.2 33.2 -81.7 166.1 5.8 20.7 -4.4 13 23 A P T 4 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.996 128.0 40.2 -81.8 -9.9 6.7 23.1 -2.9 14 24 A R T 4 S+ 0 0 76 -3,-0.3 21,-2.9 1,-0.2 2,-0.5 0.910 121.9 42.1 -62.3 -41.9 9.8 23.2 -5.1 15 25 A Y E < S+B 34 0B 0 -4,-1.6 -4,-0.2 19,-0.2 2,-0.2 -0.932 77.4 151.5-115.8 119.4 8.0 22.2 -8.3 16 26 A T E +B 33 0B 40 17,-2.0 17,-3.4 -2,-0.5 -2,-0.0 -0.692 38.7 56.5-135.0-178.5 4.6 23.8 -9.0 17 27 A N E S- 0 0 116 -2,-0.2 -1,-0.2 15,-0.2 14,-0.1 0.936 76.1-157.6 55.4 53.8 2.2 24.8 -11.8 18 28 A L E - 0 0 35 -3,-0.1 2,-0.4 14,-0.1 14,-0.2 -0.211 17.5-167.0 -68.5 150.0 2.1 21.3 -13.2 19 29 A S E -B 31 0B 56 12,-2.2 12,-2.5 -15,-0.0 2,-0.2 -0.955 22.6-125.5-140.2 121.0 1.2 20.4 -16.8 20 30 A Y E +B 30 0B 73 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.432 30.7 171.3 -65.3 128.9 0.5 16.8 -17.9 21 31 A I E - 0 0 93 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.827 53.2 -52.3-102.3 -53.4 2.6 15.7 -20.9 22 32 A G E -B 29 0B 23 7,-1.5 7,-3.1 2,-0.0 -1,-0.4 -0.981 42.4-118.1-179.5 179.8 2.0 12.0 -21.3 23 33 A E E +B 28 0B 123 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.927 23.4 165.4-141.8 149.7 1.8 8.5 -19.9 24 34 A G E > -B 27 0B 49 3,-1.0 3,-0.8 -2,-0.3 2,-0.2 -0.813 55.7 -42.6-147.8-174.3 3.5 5.2 -20.3 25 35 A A T 3 S- 0 0 78 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.499 125.4 -14.4 -58.5 125.0 3.9 1.8 -18.6 26 36 A Y T 3 S+ 0 0 59 -2,-0.2 21,-2.3 20,-0.1 2,-0.3 0.392 125.1 75.6 56.8 10.5 4.5 2.6 -14.9 27 37 A G E < -BC 24 46B 21 -3,-0.8 -3,-1.0 19,-0.2 2,-0.4 -0.895 52.6-162.5-157.1 125.3 5.2 6.4 -15.4 28 38 A M E -BC 23 45B 13 17,-0.9 17,-3.3 -2,-0.3 2,-0.4 -0.814 17.0-146.0-104.0 145.9 3.6 9.7 -16.1 29 39 A V E +BC 22 44B 48 -7,-3.1 -8,-3.0 -2,-0.4 -7,-1.5 -0.917 20.9 169.2-112.2 130.4 5.4 12.8 -17.3 30 40 A C E -BC 20 43B 0 13,-2.5 13,-3.1 -2,-0.4 2,-0.3 -0.901 29.1-130.1-125.3 160.4 4.5 16.5 -16.4 31 41 A S E -BC 19 42B 12 -12,-2.5 -12,-2.2 -2,-0.3 2,-0.3 -0.764 33.3-177.4-100.8 161.3 6.3 19.7 -16.8 32 42 A A E - C 0 41B 0 9,-1.9 9,-2.7 -2,-0.3 2,-0.5 -0.983 31.6-106.6-156.9 153.2 6.6 21.9 -13.8 33 43 A Y E -BC 16 40B 71 -17,-3.4 -17,-2.0 -2,-0.3 2,-0.9 -0.783 29.1-143.4 -89.2 125.6 7.9 25.3 -12.7 34 44 A D E >> -BC 15 39B 2 5,-2.7 4,-1.7 -2,-0.5 5,-0.8 -0.809 8.4-162.2 -92.8 108.5 11.1 24.9 -10.7 35 45 A N T 45S+ 0 0 60 -21,-2.9 -1,-0.1 -2,-0.9 -20,-0.1 0.584 87.1 48.7 -69.8 -11.7 10.9 27.7 -8.0 36 46 A V T 45S+ 0 0 90 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.0 0.901 120.8 30.8 -87.9 -54.9 14.6 27.5 -7.3 37 47 A N T 45S- 0 0 99 2,-0.2 -2,-0.2 1,-0.0 3,-0.1 0.516 99.0-131.6 -86.3 -5.5 16.0 27.7 -10.8 38 48 A K T <5S+ 0 0 131 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.802 70.7 99.8 58.9 37.8 13.1 29.8 -12.2 39 49 A V E + 0 0 0 0, 0.0 3,-2.4 0, 0.0 7,-0.4 0.512 30.1 103.6 -98.2 -8.6 8.4 0.4 -10.4 49 59 A F T 3 S+ 0 0 21 40,-0.5 285,-0.1 1,-0.3 284,-0.1 0.615 76.5 57.0 -70.1 -14.9 8.6 -1.4 -7.1 50 60 A E T 3 S+ 0 0 156 -3,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.567 103.2 64.3 -84.3 -7.4 6.1 -4.3 -7.8 51 61 A H <> - 0 0 95 -3,-2.4 4,-2.5 1,-0.1 5,-0.2 -0.950 65.7-154.5-125.1 119.2 8.2 -5.4 -10.9 52 62 A Q H > S+ 0 0 51 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.889 98.8 48.0 -51.0 -47.4 11.7 -6.7 -10.8 53 63 A T H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 109.9 51.0 -70.1 -33.7 12.5 -5.5 -14.4 54 64 A Y H > S+ 0 0 64 -6,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.892 110.2 50.5 -68.6 -36.4 11.1 -2.0 -13.8 55 65 A C H X S+ 0 0 0 -4,-2.5 4,-2.6 -7,-0.4 5,-0.2 0.919 110.4 50.9 -63.8 -42.6 13.3 -1.7 -10.7 56 66 A Q H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.930 112.2 45.3 -55.2 -50.9 16.2 -2.8 -12.8 57 67 A R H X S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.935 113.6 49.8 -62.5 -46.9 15.5 -0.3 -15.5 58 68 A T H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.900 113.8 44.9 -58.1 -47.4 14.9 2.5 -12.9 59 69 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.897 112.5 51.6 -67.2 -41.8 18.2 1.8 -11.1 60 70 A R H X S+ 0 0 4 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.953 112.7 45.2 -60.0 -49.1 20.2 1.5 -14.3 61 71 A E H X S+ 0 0 8 -4,-2.7 4,-2.4 -5,-0.2 5,-0.3 0.949 114.7 47.4 -62.4 -47.0 19.0 4.8 -15.6 62 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.962 114.3 46.0 -58.1 -53.4 19.5 6.6 -12.3 63 73 A K H X S+ 0 0 49 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.905 116.6 44.2 -59.5 -42.8 23.0 5.2 -11.7 64 74 A I H >X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 3,-0.5 0.969 114.7 44.6 -69.2 -51.4 24.2 5.9 -15.2 65 75 A L H 3< S+ 0 0 5 -4,-2.4 11,-0.4 -5,-0.3 -1,-0.2 0.776 109.6 57.2 -70.2 -27.8 22.9 9.4 -15.8 66 76 A L H 3< S+ 0 0 31 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.856 113.4 40.5 -66.8 -33.1 24.0 10.5 -12.4 67 77 A R H << S+ 0 0 60 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.1 0.882 103.0 82.4 -79.7 -40.4 27.6 9.5 -13.3 68 78 A F < - 0 0 18 -4,-2.7 2,-0.4 -5,-0.1 62,-0.0 -0.380 50.6-179.5 -71.5 138.6 27.5 10.8 -16.9 69 79 A R + 0 0 131 -2,-0.1 2,-0.3 6,-0.1 5,-0.1 -0.901 26.0 130.1-138.8 108.7 28.1 14.5 -17.8 70 80 A H > - 0 0 19 3,-0.4 3,-1.9 -2,-0.4 56,-0.0 -0.949 59.2-124.7-160.7 138.7 27.9 15.4 -21.5 71 81 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.731 111.9 49.3 -55.3 -30.7 26.2 18.0 -23.6 72 82 A N T 3 S+ 0 0 5 82,-0.1 83,-2.8 53,-0.1 2,-0.4 0.128 101.0 72.5-102.3 20.2 24.6 15.4 -25.8 73 83 A I B < S-f 155 0C 8 -3,-1.9 -3,-0.4 81,-0.3 83,-0.2 -0.998 86.5-114.1-132.1 133.8 23.2 13.2 -23.0 74 84 A I - 0 0 4 81,-2.4 2,-0.1 -2,-0.4 -6,-0.1 -0.344 34.0-145.8 -63.3 138.4 20.2 14.2 -20.8 75 85 A G - 0 0 24 -4,-0.1 2,-0.5 -6,-0.0 21,-0.2 -0.389 12.3-120.9 -93.4 176.5 21.1 14.8 -17.1 76 86 A I - 0 0 18 -11,-0.4 19,-0.2 1,-0.1 3,-0.1 -0.996 26.6-179.6-114.0 122.2 19.2 14.1 -13.9 77 87 A N - 0 0 65 17,-2.8 2,-0.3 -2,-0.5 18,-0.2 0.780 63.8 -12.9 -86.2 -34.0 18.8 17.5 -12.1 78 88 A D E -E 94 0B 16 16,-1.2 16,-2.7 2,-0.0 2,-0.4 -0.975 53.1-146.3-164.5 157.2 16.9 16.2 -9.0 79 89 A I E -E 93 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.981 12.9-163.0-140.6 127.9 15.1 13.2 -7.6 80 90 A I E +E 92 0B 39 12,-2.4 12,-3.1 -2,-0.4 2,-0.3 -0.907 24.8 136.8-111.7 134.5 12.1 13.3 -5.3 81 91 A R - 0 0 16 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.959 55.2 -62.2-161.7 174.1 10.8 10.4 -3.2 82 92 A A - 0 0 25 8,-0.5 6,-0.1 -2,-0.3 263,-0.0 -0.191 42.0-121.5 -63.8 149.1 9.5 9.7 0.3 83 93 A P S S+ 0 0 97 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.626 95.8 50.0 -67.7 -16.5 11.7 10.2 3.4 84 94 A T S >> S- 0 0 52 1,-0.1 4,-0.8 0, 0.0 3,-0.7 -0.966 80.2-129.8-126.3 149.7 11.4 6.5 4.5 85 95 A I T 34 S+ 0 0 39 -2,-0.4 3,-0.5 1,-0.3 -1,-0.1 0.837 107.6 57.4 -64.7 -36.9 11.9 3.4 2.4 86 96 A E T 34 S+ 0 0 150 1,-0.2 -1,-0.3 -3,-0.0 -4,-0.0 0.825 109.3 43.9 -57.5 -39.0 8.5 2.0 3.6 87 97 A Q T <4 S+ 0 0 121 -3,-0.7 2,-0.7 2,-0.0 3,-0.2 0.554 87.6 107.8 -88.6 -9.0 6.6 5.0 2.3 88 98 A M < + 0 0 1 -4,-0.8 3,-0.1 -3,-0.5 250,-0.1 -0.597 24.4 138.8 -75.9 110.1 8.5 5.1 -1.0 89 99 A K + 0 0 73 -2,-0.7 -40,-0.5 1,-0.3 2,-0.3 0.535 67.0 37.9-118.0 -21.7 6.1 3.9 -3.8 90 100 A D - 0 0 40 -3,-0.2 -8,-0.5 -43,-0.1 2,-0.4 -0.921 60.9-155.6-131.3 154.2 7.1 6.4 -6.5 91 101 A V E -D 46 0B 0 -45,-2.7 -45,-3.1 -2,-0.3 2,-0.6 -1.000 9.8-153.7-130.2 130.7 10.2 8.1 -7.6 92 102 A Y E -DE 45 80B 9 -12,-3.1 -12,-2.4 -2,-0.4 2,-0.6 -0.919 7.4-161.2-109.8 115.0 10.1 11.5 -9.5 93 103 A I E -DE 44 79B 0 -49,-2.4 -49,-2.3 -2,-0.6 2,-0.5 -0.867 6.5-153.6-100.8 120.0 13.0 12.1 -11.8 94 104 A V E +DE 43 78B 0 -16,-2.7 -17,-2.8 -2,-0.6 -16,-1.2 -0.805 22.5 166.4 -97.5 126.9 13.6 15.8 -12.7 95 105 A Q E -D 42 0B 21 -53,-3.0 -53,-2.7 -2,-0.5 -19,-0.1 -0.902 45.0 -77.2-136.3 160.8 15.3 16.6 -16.0 96 106 A D E -D 41 0B 72 -2,-0.3 2,-0.3 -21,-0.2 -55,-0.2 -0.340 55.6-112.6 -54.9 138.2 15.9 19.6 -18.4 97 107 A L - 0 0 58 -57,-0.6 2,-0.4 -3,-0.0 -1,-0.1 -0.618 33.4-165.4 -77.2 133.7 12.7 20.2 -20.4 98 108 A M - 0 0 29 -2,-0.3 50,-0.2 1,-0.1 -57,-0.0 -0.992 15.7-143.7-123.7 133.1 13.2 19.4 -24.1 99 109 A E S S- 0 0 108 -2,-0.4 2,-0.2 47,-0.1 49,-0.2 0.780 70.9 -16.4 -70.0 -27.3 10.6 20.7 -26.6 100 110 A T E -G 147 0C 39 47,-2.5 47,-2.3 4,-0.0 2,-0.3 -0.782 57.6-126.2-156.0-171.0 10.6 17.8 -28.9 101 111 A D E > -G 146 0C 20 45,-0.3 4,-2.4 -2,-0.2 45,-0.2 -0.943 36.7 -98.9-146.9 170.3 12.4 14.6 -30.2 102 112 A L H > S+ 0 0 0 43,-2.2 4,-2.4 40,-1.0 41,-0.2 0.843 118.2 57.6 -62.1 -35.0 13.7 13.3 -33.5 103 113 A Y H > S+ 0 0 129 39,-0.7 4,-1.1 2,-0.2 -1,-0.2 0.954 110.9 42.1 -61.2 -51.1 10.6 11.1 -34.0 104 114 A K H > S+ 0 0 108 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.910 113.1 54.6 -58.2 -44.5 8.2 14.0 -33.8 105 115 A L H >X S+ 0 0 26 -4,-2.4 4,-2.1 1,-0.2 3,-0.8 0.894 106.2 50.1 -58.1 -43.9 10.5 16.2 -35.9 106 116 A L H 3< S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.741 107.9 54.6 -68.3 -26.8 10.6 13.6 -38.8 107 117 A K H 3< S+ 0 0 93 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.699 114.3 44.0 -71.1 -19.5 6.8 13.5 -38.7 108 118 A T H << S+ 0 0 104 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.792 120.2 0.0-100.8 -34.9 6.8 17.2 -39.1 109 119 A Q < - 0 0 87 -4,-2.1 2,-0.3 0, 0.0 -1,-0.3 -0.996 60.8-108.5-158.3 154.2 9.4 18.0 -41.8 110 120 A H - 0 0 158 -2,-0.3 2,-0.3 -3,-0.1 102,-0.1 -0.687 47.0-127.1 -79.2 140.7 12.0 16.8 -44.3 111 121 A L - 0 0 20 100,-0.5 2,-0.1 -2,-0.3 -1,-0.0 -0.741 10.6-121.3 -96.0 142.3 15.5 17.8 -43.1 112 122 A S > - 0 0 62 -2,-0.3 4,-2.4 1,-0.1 3,-0.2 -0.375 31.4-110.6 -66.7 157.8 18.2 19.7 -45.0 113 123 A N H > S+ 0 0 59 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 119.8 56.8 -58.6 -36.7 21.5 17.9 -45.5 114 124 A D H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 108.7 45.3 -63.4 -39.5 23.1 20.3 -43.1 115 125 A H H > S+ 0 0 71 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.906 111.9 51.2 -70.4 -39.6 20.6 19.4 -40.3 116 126 A I H X S+ 0 0 10 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.943 111.9 48.7 -59.3 -45.8 21.0 15.6 -41.0 117 127 A C H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.935 112.8 46.8 -57.8 -49.3 24.8 16.1 -40.7 118 128 A Y H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.898 113.5 47.1 -62.7 -44.5 24.6 18.0 -37.5 119 129 A F H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.917 112.2 50.0 -66.3 -44.8 22.1 15.6 -35.8 120 130 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.922 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260 A A H > S+ 0 0 0 508,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.911 111.3 52.3 -59.9 -43.6 19.6 -19.7 -37.0 251 261 A R H X S+ 0 0 25 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.928 107.7 49.8 -62.4 -46.9 22.4 -20.2 -39.4 252 262 A N H X S+ 0 0 77 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.916 109.3 54.0 -55.8 -45.4 20.6 -23.1 -41.2 253 263 A Y H X S+ 0 0 8 -4,-2.1 4,-0.9 2,-0.2 3,-0.5 0.942 109.0 46.9 -52.0 -53.9 17.5 -20.9 -41.4 254 264 A L H >< S+ 0 0 8 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.910 110.9 52.5 -58.0 -41.6 19.4 -18.1 -43.1 255 265 A L H 3< S+ 0 0 103 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.776 103.0 60.0 -63.6 -27.9 21.0 -20.6 -45.6 256 266 A S H 3< S+ 0 0 85 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.766 85.6 101.9 -71.9 -23.1 17.6 -21.9 -46.5 257 267 A L S << S- 0 0 36 -4,-0.9 2,-0.1 -3,-0.8 3,-0.1 -0.156 82.2-100.2 -66.2 153.6 16.3 -18.5 -47.7 258 268 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.429 51.8 -90.8 -65.8 146.9 16.1 -17.6 -51.4 259 269 A H - 0 0 143 -2,-0.1 2,-0.4 -23,-0.1 -24,-0.0 -0.314 42.8-168.1 -59.7 139.5 19.0 -15.4 -52.7 260 270 A K - 0 0 43 -3,-0.1 -24,-2.3 -29,-0.1 2,-0.2 -0.996 14.0-136.3-128.8 133.0 18.5 -11.7 -52.5 261 271 A N - 0 0 126 -2,-0.4 -26,-0.3 -26,-0.2 2,-0.1 -0.612 32.0 -98.8 -84.0 153.4 20.8 -9.2 -54.2 262 272 A K - 0 0 94 -28,-0.2 -28,-0.2 -2,-0.2 -29,-0.1 -0.457 31.2-131.8 -67.8 137.6 22.0 -6.1 -52.4 263 273 A V - 0 0 27 -30,-3.0 -1,-0.1 -2,-0.1 5,-0.0 -0.886 26.2-117.5 -89.2 121.9 20.1 -2.9 -53.1 264 274 A P >> - 0 0 50 0, 0.0 4,-1.4 0, 0.0 3,-1.3 -0.331 19.0-128.8 -56.7 134.4 22.4 -0.0 -53.9 265 275 A W H 3> S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 13,-0.0 0.859 105.6 59.2 -54.9 -41.2 22.0 2.7 -51.3 266 276 A N H 34 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.669 101.2 55.9 -68.1 -17.0 21.6 5.5 -53.9 267 277 A R H <4 S+ 0 0 171 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.912 115.9 37.1 -71.6 -45.8 18.5 3.6 -55.4 268 278 A L H < S+ 0 0 47 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.838 130.9 31.6 -73.3 -34.9 16.9 3.7 -52.0 269 279 A F >< + 0 0 11 -4,-2.9 3,-1.3 -5,-0.2 -1,-0.2 -0.598 68.1 163.6-126.4 68.9 18.2 7.2 -51.1 270 280 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.649 76.6 45.9 -71.2 -13.1 18.4 9.1 -54.3 271 281 A N T 3 S+ 0 0 161 -59,-0.1 2,-0.1 2,-0.1 3,-0.1 0.493 89.0 113.6-104.8 -3.2 18.7 12.6 -52.7 272 282 A A S < S- 0 0 24 -3,-1.3 -3,-0.1 1,-0.1 5,-0.0 -0.383 78.9 -99.5 -72.2 143.4 21.3 11.7 -50.1 273 283 A D > - 0 0 52 1,-0.1 4,-1.8 -2,-0.1 5,-0.2 -0.332 32.6-131.4 -47.1 128.8 24.9 13.0 -49.9 274 284 A S H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.834 108.3 54.3 -64.9 -29.7 27.0 10.2 -51.4 275 285 A K H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 27,-0.4 0.879 104.7 54.7 -66.1 -39.8 29.4 10.5 -48.4 276 286 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.912 109.0 48.5 -58.1 -40.5 26.4 10.0 -46.1 277 287 A L H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.840 106.9 54.0 -72.2 -33.5 25.6 6.8 -48.0 278 288 A D H X S+ 0 0 71 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.916 112.3 45.7 -65.0 -41.2 29.2 5.5 -47.8 279 289 A L H >X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 3,-0.6 0.951 110.3 53.4 -61.4 -47.7 29.0 6.0 -44.0 280 290 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.3 3,-0.3 0.889 103.6 57.4 -54.4 -42.1 25.5 4.3 -43.9 281 291 A D H 3< S+ 0 0 46 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.888 108.5 46.1 -56.6 -40.5 26.9 1.3 -45.7 282 292 A K H X< S+ 0 0 78 -4,-1.2 10,-1.8 -3,-0.6 3,-0.5 0.740 113.5 48.3 -76.7 -27.0 29.6 0.8 -43.0 283 293 A M H 3< S+ 0 0 0 -4,-1.6 2,-0.5 -3,-0.3 -78,-0.2 0.834 110.9 50.2 -82.1 -35.4 27.1 1.2 -40.1 284 294 A L T 3< S+ 0 0 2 -4,-2.7 2,-0.5 -5,-0.2 -1,-0.2 -0.367 77.1 140.5 -99.9 50.8 24.5 -1.2 -41.5 285 295 A T < - 0 0 35 -2,-0.5 6,-0.1 -3,-0.5 -3,-0.1 -0.840 50.8-141.8 -87.0 132.0 27.0 -4.0 -42.1 286 296 A F S S+ 0 0 17 -2,-0.5 -99,-0.2 -52,-0.1 -1,-0.1 0.926 86.4 77.7 -55.9 -48.0 25.5 -7.4 -41.3 287 297 A N S >> S- 0 0 7 1,-0.2 4,-1.2 -3,-0.1 3,-0.6 -0.529 70.1-159.4 -70.0 113.9 28.7 -8.6 -39.8 288 298 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -90,-0.1 0.728 88.4 55.9 -72.5 -17.7 28.9 -7.0 -36.4 289 299 A H T 34 S+ 0 0 133 1,-0.2 -2,-0.1 -91,-0.0 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-5,-0.2 -2,-0.2 0.414 85.0 117.3 -80.3 1.2 36.3 10.4 -38.6 300 310 A H S X S- 0 0 12 -3,-1.6 3,-1.8 -4,-0.2 4,-0.2 -0.398 79.6-112.6 -71.4 148.8 34.3 9.5 -41.9 301 311 A P G > S+ 0 0 68 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.790 113.2 66.7 -52.8 -29.4 34.4 12.1 -44.7 302 312 A Y G 3 S+ 0 0 7 -27,-0.4 3,-0.3 1,-0.3 -26,-0.1 0.854 107.1 39.4 -60.9 -31.7 30.7 12.8 -44.3 303 313 A L G X> S+ 0 0 0 -3,-1.8 4,-2.2 -6,-0.3 3,-1.7 0.219 79.5 116.3-102.0 15.6 31.3 14.3 -40.8 304 314 A E T <4 S+ 0 0 118 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.764 70.2 59.5 -61.6 -28.0 34.6 16.1 -41.7 305 315 A Q T 34 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.721 120.2 27.6 -68.9 -23.6 33.1 19.6 -41.1 306 316 A Y T <4 S+ 0 0 74 -3,-1.7 -2,-0.2 -8,-0.1 -1,-0.2 0.670 83.3 115.1-109.1 -25.7 32.4 18.6 -37.5 307 317 A Y < + 0 0 72 -4,-2.2 5,-0.0 -9,-0.2 -8,-0.0 -0.320 33.4 151.1 -64.3 124.5 34.9 16.0 -36.4 308 318 A D > - 0 0 74 -2,-0.1 3,-3.0 1,-0.1 -1,-0.1 -0.600 29.8-171.3-160.8 80.1 36.9 17.6 -33.6 309 319 A P G > S+ 0 0 70 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.799 88.7 65.3 -51.1 -31.1 38.4 15.4 -30.9 310 320 A S G 3 S+ 0 0 121 1,-0.3 -2,-0.0 3,-0.0 0, 0.0 0.668 109.7 38.3 -65.4 -15.2 39.4 18.7 -29.0 311 321 A D G < S+ 0 0 83 -3,-3.0 -1,-0.3 1,-0.1 -3,-0.1 -0.161 98.0 86.9-127.4 41.0 35.7 19.4 -28.6 312 322 A E < - 0 0 7 -3,-1.4 -1,-0.1 -5,-0.0 -186,-0.0 -0.742 67.2-153.6-137.8 83.4 34.4 15.8 -28.0 313 323 A P - 0 0 63 0, 0.0 2,-0.3 0, 0.0 -184,-0.1 -0.222 8.8-162.5 -60.7 150.7 34.6 14.9 -24.3 314 324 A I - 0 0 105 -182,-0.1 -185,-0.1 -183,-0.1 2,-0.1 -0.791 31.6 -80.9-124.3 170.1 35.0 11.3 -23.1 315 325 A A - 0 0 14 -186,-0.4 -247,-0.1 -2,-0.3 -1,-0.0 -0.444 28.9-134.8 -71.8 140.0 34.5 9.5 -19.7 316 326 A E S S- 0 0 117 1,-0.2 -1,-0.1 -2,-0.1 -183,-0.0 0.879 86.4 -4.4 -57.3 -40.4 37.3 9.8 -17.1 317 327 A A S S- 0 0 64 -184,-0.0 -1,-0.2 -3,-0.0 -185,-0.0 -0.964 89.9 -77.3-149.9 155.9 37.0 6.1 -16.4 318 328 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -184,-0.2 -0.251 49.4-117.2 -47.0 140.6 34.9 3.0 -17.4 319 329 A F - 0 0 25 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1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.882 95.3 52.0 -56.6 -46.1 44.0 -22.9 -30.7 586 259 C K H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 110.6 50.8 -61.2 -35.2 46.9 -25.4 -31.1 587 260 C A H > S+ 0 0 8 -3,-0.3 4,-3.1 -60,-0.2 -1,-0.2 0.915 109.7 48.6 -67.4 -44.5 44.4 -28.0 -32.4 588 261 C R H X S+ 0 0 86 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.937 112.6 48.5 -62.0 -46.4 42.8 -25.6 -34.9 589 262 C N H X S+ 0 0 110 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.936 111.5 51.5 -54.9 -46.7 46.3 -24.7 -36.2 590 263 C Y H >< S+ 0 0 57 -4,-2.5 3,-0.8 -5,-0.2 4,-0.4 0.947 109.8 47.7 -57.3 -51.0 47.1 -28.4 -36.4 591 264 C L H >< S+ 0 0 14 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.879 108.8 55.0 -59.0 -35.7 44.0 -29.2 -38.4 592 265 C L H 3< S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.765 98.0 64.4 -72.0 -21.6 44.7 -26.3 -40.8 593 266 C S T << S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.633 87.3 93.2 -72.8 -14.0 48.2 -27.7 -41.5 594 267 C L S < S- 0 0 38 -3,-1.3 3,-0.1 -4,-0.4 -3,-0.0 -0.492 83.0-105.7 -85.8 149.8 46.7 -30.8 -43.1 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-78.4 0.7 14.7 -18.8 -28.0 758 71 B R T < 5 + 0 0 14 -3,-1.8 -508,-0.2 1,-0.1 -3,-0.2 0.921 64.5 141.3 50.9 53.8 16.1 -17.5 -31.4 759 72 B R >>< + 0 0 3 -5,-3.2 4,-2.6 1,-0.1 3,-0.7 -0.592 11.9 159.7-119.9 68.6 14.7 -20.4 -33.5 760 73 B P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.737 74.5 64.9 -60.4 -22.4 13.6 -18.8 -36.7 761 74 B D H 3> S+ 0 0 22 2,-0.2 4,-0.8 1,-0.2 -2,-0.1 0.900 109.0 37.2 -66.7 -40.8 13.7 -22.3 -38.3 762 75 B L H X> S+ 0 0 0 -3,-0.7 4,-1.5 2,-0.2 3,-0.5 0.907 114.7 56.5 -75.8 -41.4 10.9 -23.5 -36.0 763 76 B L H 3X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.907 102.8 54.8 -53.2 -44.5 9.1 -20.2 -36.3 764 77 B T H 3X S+ 0 0 35 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.809 102.8 55.6 -65.2 -29.3 9.0 -20.4 -40.1 765 78 B M H < S+ 0 0 70 -4,-2.5 3,-0.9 1,-0.2 4,-0.4 0.907 108.0 53.7 -59.8 -44.3 -5.4 -20.9 -48.0 776 89 B I H >< S+ 0 0 48 -4,-2.8 3,-2.1 1,-0.2 4,-0.4 0.931 104.2 57.3 -53.3 -45.7 -7.4 -24.1 -47.3 777 90 B S H >< S+ 0 0 49 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.711 91.8 70.0 -60.4 -21.8 -10.1 -21.8 -45.8 778 91 B E T << S+ 0 0 102 -3,-0.9 3,-0.5 -4,-0.8 -1,-0.3 0.692 90.5 63.3 -71.4 -14.8 -10.3 -20.0 -49.2 779 92 B E T < S+ 0 0 157 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.2 0.782 103.8 45.1 -72.5 -31.8 -11.9 -23.3 -50.6 780 93 B D < 0 0 132 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.144 360.0 360.0-109.0 23.2 -15.0 -23.1 -48.4 781 94 B E 0 0 196 -3,-0.5 -3,-0.1 -4,-0.1 -2,-0.0 0.143 360.0 360.0-109.0 360.0 -16.0 -19.4 -48.7