==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-AUG-11 3TEI . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.GOGL,A.REMENYI . 356 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 57.6 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 . 41 11.5 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 . 2 0.6 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 . 19 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 2 1 2 0 0 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 . 0 2 3 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 10 A G 0 0 121 0, 0.0 2,-0.2 0, 0.0 12,-0.1 0.000 360.0 360.0 360.0 52.6 1.8 12.9 -15.1 2 11 A P - 0 0 70 0, 0.0 2,-0.2 0, 0.0 9,-0.2 -0.484 360.0-116.3 -73.3 141.0 1.0 10.3 -12.4 3 12 A E E -A 10 0A 52 7,-0.8 7,-4.0 -2,-0.2 2,-0.3 -0.509 25.5-144.8 -83.7 145.6 2.9 10.8 -9.2 4 13 A M E -A 9 0A 112 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.819 14.0-173.0-112.7 142.4 5.4 8.1 -7.9 5 14 A V E > S-A 8 0A 13 3,-2.8 3,-0.6 -2,-0.3 15,-0.1 -0.937 79.3 -18.9-136.6 117.4 6.3 7.0 -4.4 6 15 A R T 3 S- 0 0 182 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.916 129.0 -51.2 51.1 48.1 9.2 4.6 -3.9 7 16 A G T 3 S+ 0 0 71 1,-0.2 2,-0.5 0, 0.0 -1,-0.2 0.731 117.7 118.1 64.3 23.2 9.0 3.6 -7.6 8 17 A Q E < -A 5 0A 76 -3,-0.6 -3,-2.8 2,-0.0 -1,-0.2 -0.985 67.0-123.1-124.7 123.3 5.3 2.9 -7.2 9 18 A V E -A 4 0A 61 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.3 -0.422 22.7-172.4 -65.0 127.5 2.7 4.9 -9.2 10 19 A F E -A 3 0A 0 -7,-4.0 2,-1.5 -2,-0.2 -7,-0.8 -0.920 4.5-168.2-114.5 104.0 0.2 6.7 -7.0 11 20 A D + 0 0 86 -2,-0.5 82,-0.1 1,-0.2 -7,-0.1 -0.604 43.8 120.8-101.4 85.6 -2.4 8.0 -9.4 12 21 A V > + 0 0 3 -2,-1.5 4,-1.5 4,-0.2 3,-0.2 0.397 51.6 155.0-115.3 -4.2 -4.3 10.4 -7.1 13 22 A G T 4 + 0 0 31 -3,-0.3 4,-0.1 1,-0.2 -2,-0.0 -0.289 35.7 21.2 -91.5 174.8 -3.9 13.8 -8.8 14 23 A P T 4 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 22,-0.2 -0.998 127.9 43.0 -73.5 -15.2 -4.6 16.6 -9.6 15 24 A R T 4 S+ 0 0 76 -3,-0.2 21,-3.1 1,-0.1 2,-0.5 0.919 117.7 45.3 -60.3 -46.7 -6.8 16.8 -6.4 16 25 A Y E < S+B 35 0B 1 -4,-1.5 2,-0.2 19,-0.2 19,-0.2 -0.885 74.9 152.6-105.6 124.0 -4.3 15.0 -4.1 17 26 A T E +B 34 0B 32 17,-2.4 17,-3.5 -2,-0.5 -2,-0.0 -0.713 38.1 59.9-133.9-175.7 -0.7 16.0 -4.2 18 27 A N E - 0 0 115 -2,-0.2 2,-0.2 15,-0.2 -1,-0.1 0.922 69.3-162.8 57.6 51.6 2.5 16.2 -2.1 19 28 A L E - 0 0 30 14,-0.1 2,-0.4 -3,-0.1 14,-0.2 -0.422 12.9-176.2 -71.9 134.1 2.6 12.4 -1.4 20 29 A S E -B 32 0B 67 12,-2.4 12,-2.7 -2,-0.2 -15,-0.1 -0.976 29.2-115.8-134.2 123.0 4.8 11.1 1.4 21 30 A Y E +B 31 0B 67 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.255 34.3 171.0 -54.7 129.9 5.2 7.4 2.2 22 31 A I E - 0 0 63 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.780 52.5 -60.4-103.4 -59.9 3.8 6.4 5.6 23 32 A G E -B 30 0B 16 7,-1.2 7,-2.6 5,-0.0 -1,-0.4 -0.982 43.4 -88.0-171.2-174.9 4.1 2.6 5.6 24 33 A E E +B 29 0B 123 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.744 42.4 157.9-110.9 158.7 3.2 -0.8 4.1 25 34 A G - 0 0 51 3,-0.7 2,-0.5 -2,-0.3 3,-0.1 -0.730 54.6 -24.8-160.8-163.6 0.2 -2.8 5.1 26 35 A A S S- 0 0 62 1,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.529 124.4 -29.9 -71.8 117.9 -1.9 -5.6 3.6 27 36 A Y S S+ 0 0 59 -2,-0.5 21,-0.7 20,-0.1 2,-0.4 0.347 125.1 76.8 61.0 -5.2 -1.6 -5.4 -0.2 28 37 A G - 0 0 11 19,-0.2 -3,-0.7 -3,-0.1 2,-0.3 -0.976 67.1-129.8-152.8 154.1 -1.0 -1.7 -0.1 29 38 A M E -B 24 0B 2 -2,-0.4 17,-3.0 17,-0.3 2,-0.4 -0.669 24.9-150.2 -91.8 136.5 1.1 1.4 0.5 30 39 A V E +BC 23 45B 29 -7,-2.6 -8,-2.9 -2,-0.3 -7,-1.2 -0.886 17.4 178.9-107.5 140.1 -0.2 4.3 2.6 31 40 A C E -BC 21 44B 0 13,-2.0 13,-2.9 -2,-0.4 2,-0.3 -0.979 28.9-125.7-134.4 148.9 0.8 7.9 2.0 32 41 A S E +BC 20 43B 20 -12,-2.7 -12,-2.4 -2,-0.3 2,-0.3 -0.687 41.1 171.2 -80.5 149.8 0.1 11.3 3.5 33 42 A A E - C 0 42B 5 9,-2.1 9,-2.5 -2,-0.3 2,-0.5 -0.952 34.5-111.0-151.1 164.9 -1.1 13.8 0.8 34 43 A Y E -BC 17 41B 71 -17,-3.5 -17,-2.4 -2,-0.3 2,-0.8 -0.937 21.0-144.5-103.5 127.5 -2.6 17.2 0.5 35 44 A D E >> -BC 16 40B 4 5,-3.4 5,-1.3 -2,-0.5 4,-1.1 -0.810 13.3-169.3 -87.5 111.3 -6.1 17.5 -0.7 36 45 A N T 45S+ 0 0 60 -21,-3.1 -1,-0.2 -2,-0.8 -20,-0.1 0.707 80.5 55.1 -76.3 -22.3 -6.1 20.7 -2.8 37 46 A V T 45S+ 0 0 94 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.939 122.1 24.8 -76.2 -49.6 -9.9 20.9 -3.2 38 47 A N T 45S- 0 0 108 2,-0.1 -2,-0.2 -23,-0.1 -1,-0.1 0.447 101.8-128.1 -95.9 -1.3 -10.7 20.8 0.5 39 48 A K T <5 + 0 0 142 -4,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.944 66.8 118.3 56.6 55.9 -7.3 22.3 1.7 40 49 A V E < -C 35 0B 62 -5,-1.3 -5,-3.4 57,-0.0 2,-0.4 -0.953 66.5-109.0-147.0 155.9 -6.7 19.5 4.2 41 50 A R E +C 34 0B 160 -2,-0.3 57,-1.0 -7,-0.2 2,-0.3 -0.781 41.4 178.1 -90.9 140.0 -4.1 16.8 4.8 42 51 A V E -CD 33 97B 0 -9,-2.5 -9,-2.1 -2,-0.4 2,-0.4 -0.845 29.9-122.6-132.8 167.2 -5.2 13.2 4.2 43 52 A A E -CD 32 96B 10 53,-2.9 53,-3.4 -2,-0.3 2,-0.4 -0.921 26.0-161.7-105.1 142.2 -4.0 9.6 4.3 44 53 A I E -CD 31 95B 0 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.7 -0.978 4.4-157.9-128.6 119.8 -4.4 7.6 1.1 45 54 A K E -CD 30 94B 36 49,-2.8 49,-2.7 -2,-0.4 2,-0.6 -0.857 9.1-150.2 -95.1 116.7 -4.2 3.8 1.0 46 55 A K E - D 0 93B 9 -17,-3.0 2,-0.5 -2,-0.7 -17,-0.3 -0.767 19.0-170.0 -82.3 123.2 -3.3 2.3 -2.4 47 56 A I E + D 0 92B 9 45,-3.3 45,-3.3 -2,-0.6 -19,-0.2 -0.967 22.0 177.9-121.5 127.9 -5.0 -1.0 -2.7 48 57 A S + 0 0 46 -21,-0.7 3,-0.4 -2,-0.5 43,-0.1 -0.627 26.7 145.4-121.6 69.2 -4.4 -3.6 -5.5 49 58 A P > + 0 0 0 0, 0.0 3,-2.0 0, 0.0 7,-0.5 0.624 38.0 97.1 -76.1 -19.2 -6.7 -6.5 -4.4 50 59 A F T 3 S+ 0 0 27 40,-0.3 277,-0.1 1,-0.3 3,-0.1 0.497 73.9 58.7 -70.2 -9.6 -7.8 -7.9 -7.7 51 60 A E T 3 S+ 0 0 74 -3,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.645 106.0 54.7 -87.1 -14.7 -5.4 -10.8 -8.2 52 61 A H <> - 0 0 101 -3,-2.0 4,-2.4 1,-0.1 5,-0.2 -0.971 65.6-152.0-129.5 125.2 -6.5 -12.4 -5.0 53 62 A Q H > S+ 0 0 47 -2,-0.4 4,-2.4 1,-0.2 -1,-0.1 0.900 102.5 52.4 -55.4 -44.8 -10.1 -13.4 -3.9 54 63 A T H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 109.5 48.5 -60.9 -40.1 -9.1 -13.0 -0.3 55 64 A Y H > S+ 0 0 76 -6,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.899 110.7 50.9 -67.1 -42.1 -7.8 -9.5 -0.9 56 65 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 -7,-0.5 -2,-0.2 0.880 108.8 53.1 -60.4 -40.8 -11.0 -8.6 -2.8 57 66 A Q H X S+ 0 0 25 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.974 109.4 46.3 -59.4 -56.7 -13.0 -9.9 0.1 58 67 A R H X S+ 0 0 36 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.797 113.0 51.4 -56.6 -32.5 -11.2 -7.7 2.7 59 68 A T H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.940 110.5 45.9 -73.2 -48.8 -11.4 -4.7 0.4 60 69 A L H X S+ 0 0 12 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.935 114.8 47.7 -57.4 -49.9 -15.2 -4.9 -0.2 61 70 A R H X S+ 0 0 18 -4,-2.4 4,-2.8 -5,-0.2 5,-0.3 0.927 112.9 49.2 -57.1 -49.1 -15.9 -5.5 3.5 62 71 A E H X S+ 0 0 11 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.948 114.1 44.3 -56.3 -53.2 -13.7 -2.6 4.6 63 72 A I H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.931 115.2 48.9 -60.3 -46.0 -15.3 -0.2 2.1 64 73 A K H X S+ 0 0 45 -4,-2.9 4,-1.2 -5,-0.2 -2,-0.2 0.907 116.1 41.3 -60.8 -46.3 -18.8 -1.3 2.9 65 74 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.929 114.6 48.5 -71.0 -46.6 -18.4 -1.1 6.7 66 75 A L H < S+ 0 0 3 -4,-2.5 11,-0.5 -5,-0.3 -1,-0.2 0.792 112.1 50.8 -65.4 -29.2 -16.4 2.2 6.9 67 76 A L H < S+ 0 0 35 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.795 113.9 44.3 -77.3 -30.7 -18.9 3.9 4.6 68 77 A A H < S+ 0 0 53 -4,-1.2 2,-0.2 -5,-0.2 -2,-0.2 0.793 102.5 82.9 -80.2 -31.4 -21.9 2.7 6.7 69 78 A F < + 0 0 16 -4,-2.4 2,-0.4 -5,-0.1 62,-0.0 -0.522 50.4 178.7 -81.0 137.0 -20.1 3.6 10.0 70 79 A R + 0 0 221 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.902 27.4 128.2-134.1 110.4 -20.2 7.1 11.4 71 80 A H > - 0 0 19 3,-0.5 3,-1.0 -2,-0.4 56,-0.1 -0.981 60.0-124.2-158.4 151.9 -18.4 7.5 14.7 72 81 A E T 3 S+ 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.854 112.8 45.4 -62.4 -37.7 -15.7 9.7 16.3 73 82 A N T 3 S+ 0 0 4 82,-0.1 83,-3.3 50,-0.1 2,-0.4 0.236 101.6 75.3 -95.9 8.2 -13.6 6.7 17.3 74 83 A I B < S-f 156 0C 5 -3,-1.0 -3,-0.5 81,-0.3 83,-0.2 -0.993 86.1-115.5-122.1 129.3 -13.8 4.9 14.0 75 84 A I - 0 0 2 81,-2.5 2,-0.2 -2,-0.4 -6,-0.1 -0.268 33.4-146.7 -59.8 142.9 -11.8 6.0 10.9 76 85 A G - 0 0 26 -4,-0.1 2,-0.6 -6,-0.1 21,-0.4 -0.612 12.7-118.5-104.2 170.7 -14.0 7.2 8.0 77 86 A I - 0 0 18 -11,-0.5 19,-0.2 -2,-0.2 3,-0.1 -0.965 26.2-179.6-107.4 117.6 -13.6 7.0 4.3 78 87 A N - 0 0 71 17,-3.0 2,-0.3 -2,-0.6 18,-0.2 0.841 65.1 -16.1 -81.3 -39.8 -13.5 10.5 2.7 79 88 A D E -E 95 0B 22 16,-1.2 16,-3.0 2,-0.0 2,-0.4 -0.973 54.1-143.7-161.3 157.1 -13.1 9.6 -0.9 80 89 A I E -E 94 0B 1 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.984 14.3-157.3-136.6 126.2 -12.3 6.6 -3.1 81 90 A I E +E 93 0B 39 12,-2.8 12,-2.9 -2,-0.4 2,-0.3 -0.853 25.8 141.8-104.2 132.4 -10.3 6.9 -6.4 82 91 A R - 0 0 17 -2,-0.4 10,-0.1 10,-0.2 7,-0.1 -0.981 52.6 -72.2-159.7 164.1 -10.4 4.4 -9.3 83 92 A A - 0 0 23 8,-0.5 6,-0.1 -2,-0.3 5,-0.0 -0.160 42.0-120.2 -57.3 147.6 -10.4 4.1 -13.0 84 93 A P S S+ 0 0 90 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.628 97.0 46.0 -67.7 -16.8 -13.7 5.1 -14.9 85 94 A T S > S- 0 0 62 1,-0.1 4,-0.6 0, 0.0 3,-0.2 -0.918 82.2-126.0-124.4 157.5 -14.0 1.6 -16.4 86 95 A I T >4 S+ 0 0 41 -2,-0.3 3,-0.6 1,-0.2 -3,-0.1 0.848 110.2 54.7 -71.6 -33.6 -13.7 -1.8 -14.7 87 96 A E T 34 S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.0 -4,-0.0 0.806 109.9 48.9 -66.1 -29.4 -11.2 -3.1 -17.2 88 97 A Q T 34 S+ 0 0 120 -3,-0.2 2,-1.0 1,-0.1 -1,-0.2 0.578 88.3 98.1 -86.2 -9.7 -9.0 -0.1 -16.4 89 98 A M << + 0 0 1 -3,-0.6 3,-0.1 -4,-0.6 -1,-0.1 -0.692 28.2 144.5 -90.9 104.5 -9.2 -0.5 -12.7 90 99 A K S S+ 0 0 138 -2,-1.0 2,-0.3 1,-0.2 -40,-0.3 0.480 70.1 32.6-104.9 -7.9 -6.1 -2.2 -11.3 91 100 A D - 0 0 37 -3,-0.2 -8,-0.5 -43,-0.1 2,-0.4 -0.980 62.2-148.7-147.9 151.6 -6.0 -0.3 -8.1 92 101 A V E -D 47 0B 0 -45,-3.3 -45,-3.3 -2,-0.3 2,-0.6 -0.990 13.0-153.5-124.2 132.7 -8.3 1.4 -5.6 93 102 A Y E -DE 46 81B 10 -12,-2.9 -12,-2.8 -2,-0.4 2,-0.6 -0.929 6.7-161.3-111.3 116.5 -7.3 4.5 -3.7 94 103 A I E -DE 45 80B 0 -49,-2.7 -49,-2.8 -2,-0.6 2,-0.5 -0.839 4.9-155.7-100.9 120.0 -8.9 5.0 -0.3 95 104 A V E +DE 44 79B 0 -16,-3.0 -17,-3.0 -2,-0.6 -16,-1.2 -0.828 22.2 164.3 -98.0 126.3 -8.7 8.5 1.1 96 105 A Q E -D 43 0B 8 -53,-3.4 -53,-2.9 -2,-0.5 -19,-0.1 -0.815 46.0 -75.9-130.6 168.9 -9.0 8.9 4.9 97 106 A D E -D 42 0B 68 -21,-0.4 2,-0.6 -2,-0.3 -55,-0.2 -0.438 55.2-113.1 -59.7 137.7 -8.3 11.5 7.6 98 107 A L - 0 0 33 -57,-1.0 2,-0.3 -2,-0.1 -57,-0.1 -0.705 33.7-168.1 -81.5 120.1 -4.6 11.7 8.3 99 108 A M - 0 0 19 -2,-0.6 50,-0.2 1,-0.1 3,-0.1 -0.762 24.7-127.9-103.7 150.4 -3.7 10.5 11.7 100 109 A E S S- 0 0 96 48,-0.9 2,-0.3 -2,-0.3 49,-0.2 0.830 74.4 -32.5 -71.7 -32.2 -0.3 11.1 13.2 101 110 A T E -G 148 0C 15 47,-2.1 47,-3.4 -3,-0.0 2,-0.3 -0.914 58.3-105.3-164.7-176.3 0.6 7.5 14.2 102 111 A D E > -G 147 0C 19 45,-0.3 4,-2.7 -2,-0.3 3,-0.3 -0.925 34.0-108.5-127.9 162.5 -0.8 4.2 15.4 103 112 A L H > S+ 0 0 0 43,-2.5 4,-2.3 40,-0.8 41,-0.2 0.824 117.9 54.7 -58.6 -35.9 -0.6 2.6 18.9 104 113 A Y H > S+ 0 0 100 39,-0.9 4,-0.6 42,-0.2 -1,-0.2 0.924 112.3 43.2 -60.6 -46.5 1.8 -0.1 17.7 105 114 A K H >> S+ 0 0 85 -3,-0.3 4,-1.1 1,-0.2 3,-0.8 0.909 113.6 51.6 -66.6 -42.3 4.2 2.6 16.4 106 115 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.893 104.6 56.3 -61.4 -42.1 3.8 4.8 19.5 107 116 A L H 3< S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.651 99.8 60.2 -70.4 -15.8 4.6 1.9 21.8 108 117 A K H << S+ 0 0 141 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.905 117.9 28.4 -73.1 -43.7 7.9 1.3 20.1 109 118 A T H < S+ 0 0 106 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.727 120.3 46.7 -85.2 -24.0 9.1 4.8 21.0 110 119 A Q < - 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0 0 30 0, 0.0 -9,-0.1 0, 0.0 -31,-0.0 -0.511 26.9-145.1 -67.7 135.9 2.5 -8.2 23.9 210 227 A I S S+ 0 0 19 -11,-0.4 -32,-0.1 1,-0.2 -10,-0.0 0.846 92.1 28.3 -73.4 -33.9 1.1 -10.4 26.7 211 228 A F + 0 0 1 -34,-0.2 2,-1.8 -12,-0.1 -1,-0.2 -0.571 66.4 167.7-127.7 70.8 0.7 -13.6 24.6 212 229 A P + 0 0 47 0, 0.0 7,-0.1 0, 0.0 -35,-0.1 -0.294 19.1 176.0 -83.5 57.8 3.3 -13.5 21.8 213 230 A G - 0 0 6 -2,-1.8 -37,-0.4 1,-0.1 -36,-0.1 -0.245 30.2-146.0 -62.0 146.5 2.9 -17.2 20.7 214 231 A K S S- 0 0 181 1,-0.1 2,-0.3 -39,-0.1 -1,-0.1 0.598 75.4 -7.0 -90.5 -13.0 4.8 -18.4 17.7 215 232 A H S > S- 0 0 110 1,-0.1 4,-2.7 -39,-0.0 5,-0.2 -0.943 91.3 -65.8-167.9-176.7 2.1 -20.9 16.5 216 233 A Y H > S+ 0 0 27 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.882 127.2 30.2 -52.0 -56.1 -1.3 -22.4 17.4 217 234 A L H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.830 117.8 56.6 -78.3 -33.1 -0.4 -24.5 20.4 218 235 A D H > S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.855 104.1 55.6 -63.9 -34.9 2.3 -22.2 21.6 219 236 A Q H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.927 108.7 47.1 -61.5 -46.4 -0.3 -19.4 21.6 220 237 A L H X S+ 0 0 5 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.907 108.8 54.0 -59.5 -47.0 -2.4 -21.6 23.9 221 238 A N H X S+ 0 0 54 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.824 108.5 50.8 -59.0 -33.5 0.5 -22.3 26.2 222 239 A H H X S+ 0 0 61 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.941 111.6 45.6 -67.4 -51.8 1.2 -18.6 26.5 223 240 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-0.5 0.903 116.3 47.1 -57.4 -43.2 -2.4 -17.8 27.5 224 241 A L H X S+ 0 0 3 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.738 102.4 63.4 -73.6 -23.9 -2.4 -20.7 29.9 225 242 A G H < S+ 0 0 27 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.800 115.2 32.8 -69.4 -28.3 1.0 -19.7 31.4 226 243 A I H < S+ 0 0 23 -4,-1.1 30,-3.7 -3,-0.5 -2,-0.2 0.913 128.3 34.2 -88.1 -60.6 -0.7 -16.5 32.6 227 244 A L H < S- 0 0 18 -4,-2.6 28,-0.3 28,-0.2 -3,-0.2 0.708 103.4-135.9 -71.0 -21.7 -4.2 -17.6 33.3 228 245 A G < - 0 0 5 -4,-1.5 26,-0.2 26,-0.4 -1,-0.2 -0.253 46.6 -34.4 85.1 176.3 -3.3 -21.0 34.5 229 246 A S S S- 0 0 38 24,-2.0 26,-0.1 1,-0.1 23,-0.1 -0.433 80.1 -91.4 -68.6 143.6 -5.1 -24.2 33.5 230 247 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.315 26.3-130.9 -62.8 141.9 -8.9 -23.8 33.1 231 248 A S - 0 0 89 1,-0.3 2,-0.2 -3,-0.1 -2,-0.0 0.399 46.7-110.9 -65.4 -0.5 -11.0 -24.5 36.3 232 249 A Q S S+ 0 0 117 1,-0.0 -1,-0.3 0, 0.0 4,-0.2 -0.422 108.1 83.3 60.2-160.7 -13.3 -26.8 34.3 233 250 A E S S+ 0 0 116 2,-0.7 3,-0.1 1,-0.2 -2,-0.0 0.192 104.3 50.0 52.0 -18.8 -16.7 -25.1 34.0 234 251 A D S > S+ 0 0 17 2,-0.1 3,-1.6 3,-0.1 4,-0.4 0.761 106.7 56.7-101.9 -61.0 -14.4 -23.7 31.2 235 252 A L T 3 S+ 0 0 15 1,-0.2 -2,-0.7 2,-0.2 -1,-0.1 -0.596 114.8 30.9 -56.0 135.7 -13.6 -27.2 30.4 236 253 A N T 3 S+ 0 0 59 -2,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.279 105.2 74.4 81.5 -7.8 -17.1 -28.6 29.7 237 254 A C S < S+ 0 0 61 -3,-1.6 2,-0.3 0, 0.0 -2,-0.2 0.346 81.0 98.1 -96.5 -2.7 -18.4 -25.2 28.5 238 255 A I - 0 0 24 -4,-0.4 -2,-0.1 1,-0.2 -5,-0.0 -0.679 59.5-165.4 -85.2 135.3 -16.3 -26.3 25.4 239 256 A I S S+ 0 0 153 -2,-0.3 2,-0.2 4,-0.1 -1,-0.2 0.954 71.0 72.3 -86.0 -61.5 -18.2 -27.8 22.5 240 257 A N - 0 0 70 1,-0.2 -2,-0.0 3,-0.1 -54,-0.0 -0.430 65.6-165.1 -55.0 121.7 -15.5 -29.4 20.4 241 258 A L S >> S+ 0 0 67 -2,-0.2 4,-1.4 1,-0.2 3,-0.6 0.566 78.2 72.5 -92.9 -10.8 -14.4 -32.4 22.5 242 259 A K H 3> S+ 0 0 77 1,-0.3 2,-1.1 2,-0.2 4,-1.0 0.956 104.4 40.1 -69.6 -51.2 -11.2 -32.9 20.6 243 260 A A H 34 S+ 0 0 20 -58,-0.2 -1,-0.3 2,-0.2 -3,-0.1 -0.732 105.9 62.2-100.9 86.7 -9.8 -29.9 22.1 244 261 A R H <> S+ 0 0 64 -2,-1.1 4,-2.4 -3,-0.6 3,-0.4 -0.125 107.3 45.1-141.7 -59.2 -11.1 -30.3 25.6 245 262 A N H X S+ 0 0 52 -4,-1.4 4,-2.5 2,-0.3 -2,-0.2 0.782 108.4 59.0 -50.0 -34.0 -9.2 -33.5 26.0 246 263 A Y H < S+ 0 0 71 -4,-1.0 -1,-0.2 2,-0.2 4,-0.2 0.929 108.3 44.6 -62.8 -43.0 -6.2 -31.7 24.4 247 264 A L H >4 S+ 0 0 13 -3,-0.4 3,-0.8 1,-0.2 -2,-0.3 0.853 113.3 50.5 -66.0 -36.6 -6.5 -29.3 27.4 248 265 A L H 3< S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 106.0 56.2 -67.0 -35.8 -6.9 -32.2 29.7 249 266 A S T 3< S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.523 91.5 98.8 -73.3 -6.8 -3.8 -33.8 28.2 250 267 A L S < S- 0 0 30 -3,-0.8 3,-0.1 -4,-0.2 -3,-0.0 -0.626 82.6-110.2 -84.8 141.6 -1.9 -30.6 29.0 251 268 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.295 47.4 -87.3 -63.8 154.2 0.3 -30.4 32.2 252 269 A H - 0 0 139 -23,-0.1 2,-0.3 -24,-0.0 -24,-0.0 -0.324 44.2-166.5 -66.7 145.5 -1.0 -28.2 35.0 253 270 A K - 0 0 60 -3,-0.1 -24,-2.0 -29,-0.0 2,-0.3 -0.987 16.0-126.2-131.4 143.2 -0.1 -24.5 34.9 254 271 A N - 0 0 128 -2,-0.3 -26,-0.4 -26,-0.2 2,-0.2 -0.698 25.9-112.7 -90.4 140.5 -0.5 -21.9 37.7 255 272 A K - 0 0 104 -2,-0.3 -28,-0.2 -28,-0.3 -29,-0.1 -0.504 26.2-138.3 -65.6 130.9 -2.3 -18.6 37.3 256 273 A V - 0 0 37 -30,-3.7 -1,-0.1 -2,-0.2 2,-0.0 -0.866 24.2-119.4 -93.1 119.2 0.1 -15.7 37.5 257 274 A P >> - 0 0 40 0, 0.0 3,-1.9 0, 0.0 4,-1.3 -0.336 16.6-124.9 -63.1 136.2 -1.5 -12.9 39.5 258 275 A W T 34 S+ 0 0 21 1,-0.3 -2,-0.0 2,-0.2 15,-0.0 0.567 108.3 61.0 -60.5 -14.6 -2.0 -9.7 37.5 259 276 A N T 34 S+ 0 0 108 1,-0.1 -1,-0.3 4,-0.1 6,-0.1 0.718 98.8 54.0 -82.9 -24.7 -0.1 -7.7 40.1 260 277 A R T <4 S+ 0 0 184 -3,-1.9 -2,-0.2 2,-0.1 2,-0.2 0.943 113.7 46.5 -72.2 -51.0 3.1 -9.7 39.6 261 278 A L S < S+ 0 0 33 -4,-1.3 4,-0.1 1,-0.2 -55,-0.0 -0.520 125.1 20.9 -68.4 158.3 2.9 -8.9 36.0 262 279 A F S > S+ 0 0 10 -2,-0.2 3,-1.4 1,-0.1 -1,-0.2 0.877 71.8 169.4 47.0 53.9 2.2 -5.2 35.6 263 280 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.723 75.9 52.7 -69.2 -18.3 3.4 -4.2 39.1 264 281 A N T 3 S+ 0 0 142 -59,-0.1 2,-0.2 2,-0.0 -2,-0.1 0.265 90.0 113.1 -95.6 7.9 3.2 -0.5 38.2 265 282 A A S < S- 0 0 19 -3,-1.4 -60,-0.0 -4,-0.1 5,-0.0 -0.527 75.2 -97.7 -92.2 148.1 -0.4 -0.7 37.0 266 283 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.303 26.9-134.0 -52.4 139.4 -3.6 0.9 38.4 267 284 A S H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.893 108.8 51.6 -65.4 -41.3 -5.6 -1.6 40.6 268 285 A K H > S+ 0 0 111 2,-0.2 4,-1.8 1,-0.2 27,-0.3 0.883 109.5 50.6 -62.4 -38.9 -8.8 -0.6 38.8 269 286 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 109.8 49.3 -63.8 -45.1 -7.0 -1.2 35.4 270 287 A L H X S+ 0 0 20 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.868 108.8 53.4 -63.6 -37.1 -5.9 -4.7 36.5 271 288 A D H X S+ 0 0 71 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.891 112.8 42.8 -65.7 -39.6 -9.4 -5.5 37.7 272 289 A L H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 5,-0.2 0.869 110.4 56.9 -72.7 -37.6 -10.9 -4.6 34.4 273 290 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-0.5 0.912 104.2 54.5 -56.1 -43.1 -8.0 -6.4 32.6 274 291 A D H < S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.858 107.9 48.3 -59.0 -38.8 -9.0 -9.5 34.6 275 292 A K H < S+ 0 0 75 -4,-1.1 10,-2.7 1,-0.2 -1,-0.2 0.664 113.1 46.1 -81.8 -19.9 -12.6 -9.3 33.3 276 293 A M H < S+ 0 0 0 -4,-1.4 -78,-0.2 -3,-0.5 -2,-0.2 0.798 113.5 50.7 -82.6 -34.4 -11.6 -8.9 29.6 277 294 A L S < S+ 0 0 1 -4,-2.2 -2,-0.2 -5,-0.2 2,-0.1 0.187 76.0 135.0 -93.1 11.1 -9.1 -11.6 29.8 278 295 A T - 0 0 32 -3,-0.1 6,-0.1 1,-0.1 -3,-0.1 -0.451 56.6-134.3 -59.7 136.3 -11.3 -14.3 31.4 279 296 A F S S+ 0 0 20 -2,-0.1 -97,-0.2 -52,-0.1 -1,-0.1 0.841 88.0 72.0 -62.7 -39.4 -10.9 -17.7 29.6 280 297 A N S >> S- 0 0 7 1,-0.1 4,-0.9 -99,-0.1 3,-0.5 -0.736 72.0-150.9 -86.0 123.0 -14.6 -18.4 29.4 281 298 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.793 95.0 56.5 -60.3 -33.1 -16.4 -16.2 26.8 282 299 A H T 34 S+ 0 0 148 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.828 110.7 42.9 -71.9 -32.8 -19.7 -16.3 28.7 283 300 A K T <4 S+ 0 0 109 -3,-0.5 -1,-0.2 2,-0.1 3,-0.1 0.618 92.3 110.8 -84.1 -14.4 -18.1 -14.9 31.9 284 301 A R S < S- 0 0 10 -4,-0.9 -8,-0.2 1,-0.1 2,-0.1 -0.321 79.4 -98.9 -68.1 143.6 -16.1 -12.4 29.9 285 302 A I - 0 0 17 -10,-2.7 -1,-0.1 -13,-0.1 2,-0.1 -0.355 34.1-128.3 -71.9 135.5 -17.1 -8.7 30.4 286 303 A E > - 0 0 127 -2,-0.1 4,-2.1 -3,-0.1 3,-0.2 -0.366 25.0-106.4 -77.3 161.6 -19.4 -7.0 27.8 287 304 A V H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -158,-0.1 0.860 117.3 45.8 -59.3 -40.9 -18.6 -3.7 26.1 288 305 A E H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.797 112.8 50.7 -77.8 -27.5 -21.2 -1.6 28.0 289 306 A Q H 4 S+ 0 0 96 -3,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.859 108.1 54.0 -71.9 -37.4 -20.2 -3.1 31.3 290 307 A A H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 6,-0.2 0.887 105.8 51.7 -65.3 -40.9 -16.6 -2.4 30.6 291 308 A L H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 109.1 52.8 -60.9 -32.4 -17.3 1.3 29.9 292 309 A A T 3< S+ 0 0 49 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.444 83.0 118.0 -86.4 -1.5 -19.1 1.3 33.3 293 310 A H S X S- 0 0 16 -3,-1.2 3,-2.1 -4,-0.3 4,-0.3 -0.395 78.0-116.4 -65.8 143.9 -16.1 -0.1 35.1 294 311 A P G > S+ 0 0 79 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.692 112.4 69.0 -55.3 -22.9 -14.6 2.2 37.9 295 312 A Y G 3 S+ 0 0 11 -27,-0.3 3,-0.2 1,-0.2 -26,-0.1 0.809 108.7 37.0 -64.4 -31.0 -11.4 2.4 35.9 296 313 A L G X> S+ 0 0 0 -3,-2.1 4,-1.9 -6,-0.2 3,-1.1 0.322 81.7 111.6-100.2 4.4 -13.3 4.4 33.3 297 314 A A T <4 S+ 0 0 67 -3,-0.7 -1,-0.1 -4,-0.3 -2,-0.1 0.784 73.5 60.8 -50.5 -33.6 -15.6 6.4 35.7 298 315 A Q T 34 S+ 0 0 126 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.902 118.8 25.6 -60.3 -46.5 -13.8 9.6 34.8 299 316 A Y T <4 S+ 0 0 6 -3,-1.1 2,-0.4 -8,-0.1 -2,-0.2 0.546 90.4 122.1 -95.4 -9.2 -14.7 9.4 31.2 300 317 A Y < + 0 0 87 -4,-1.9 -8,-0.0 -7,-0.1 5,-0.0 -0.395 21.6 147.9 -70.7 118.0 -17.9 7.3 31.4 301 318 A D > - 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0 0 149 -234,-0.0 2,-0.3 1,-0.0 -238,-0.0 -0.864 360.0-118.0-106.4 140.2 5.1 13.0 21.9 345 714 B L - 0 0 19 -2,-0.4 -194,-0.1 -194,-0.1 -195,-0.1 -0.574 20.0-145.7 -81.4 131.3 1.7 13.0 23.5 346 715 B K - 0 0 92 -196,-2.5 -1,-0.1 -2,-0.3 5,-0.0 -0.246 46.5 -66.8 -75.3 175.6 0.0 16.3 24.4 347 716 B P > - 0 0 80 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.256 45.0-114.3 -60.3 158.3 -2.1 16.5 27.5 348 717 B I G > S+ 0 0 14 1,-0.3 3,-1.8 2,-0.2 6,-0.3 0.806 113.5 70.9 -63.0 -28.3 -5.4 14.6 27.4 349 718 B E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.635 81.0 72.1 -66.7 -14.9 -7.2 17.9 27.6 350 719 B S G < S+ 0 0 39 -3,-1.5 2,-0.3 -200,-0.1 -1,-0.3 0.769 81.8 89.8 -68.3 -25.2 -6.1 18.6 24.0 351 720 B S S <> S- 0 0 0 -3,-1.8 4,-1.4 -4,-0.3 -199,-0.1 -0.576 75.4-144.6 -76.2 134.5 -8.6 16.0 23.0 352 721 B I H > S+ 0 0 82 -2,-0.3 4,-1.4 1,-0.2 3,-0.2 0.906 99.5 51.1 -68.2 -45.0 -12.1 17.4 22.3 353 722 B L H > S+ 0 0 1 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.847 109.2 52.8 -59.3 -36.4 -14.0 14.4 23.7 354 723 B A H > S+ 0 0 2 -6,-0.3 4,-1.5 1,-0.2 3,-0.4 0.826 103.7 57.0 -69.1 -31.7 -11.8 14.6 26.8 355 724 B Q H < S+ 0 0 98 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.828 103.0 53.4 -66.8 -32.3 -12.9 18.3 27.1 356 725 B R H < S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.672 106.8 55.0 -75.9 -16.8 -16.5 17.2 27.1 357 726 B R H < S+ 0 0 26 -4,-0.6 -2,-0.2 -3,-0.4 -1,-0.2 0.848 97.4 59.6 -80.2 -38.0 -15.5 14.9 30.0 358 727 B V < 0 0 117 -4,-1.5 -2,-0.2 -9,-0.0 -1,-0.2 0.642 360.0 360.0 -67.5 -13.1 -14.0 17.7 32.2 359 728 B R 0 0 116 -4,-0.4 0, 0.0 -5,-0.1 0, 0.0 -0.796 360.0 360.0-113.9 360.0 -17.5 19.3 32.0