==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-MAY-12 4EYJ . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.MILLER,T.J.BRETT . 338 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17349.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 61.2 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 . 42 12.4 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 . 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 . 21 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 0 0 0 1 1 0 1 1 0 1 1 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 1 2 0 1 2 0 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 . 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 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 2 A S 0 0 168 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 132.3 -40.4 -1.4 -40.9 2 3 A L - 0 0 107 1,-0.1 92,-0.2 4,-0.0 3,-0.1 -0.862 360.0-125.3-142.0 169.5 -36.9 -1.3 -42.5 3 4 A I S S- 0 0 128 1,-0.4 2,-0.3 -2,-0.3 91,-0.1 0.850 96.3 -18.7 -83.5 -41.5 -33.4 -2.7 -42.4 4 5 A R S S- 0 0 60 89,-0.1 -1,-0.4 90,-0.1 89,-0.2 -0.971 88.0 -70.4-157.3 163.5 -31.9 0.7 -41.9 5 6 A K > - 0 0 77 87,-2.3 3,-1.2 -2,-0.3 2,-0.1 -0.181 60.1 -95.2 -57.0 147.9 -32.9 4.4 -42.5 6 7 A K T 3 S+ 0 0 196 1,-0.2 -1,-0.1 15,-0.0 3,-0.1 -0.405 111.3 32.6 -66.3 139.4 -33.2 5.6 -46.1 7 8 A G T 3 S+ 0 0 21 1,-0.3 15,-2.3 -3,-0.1 2,-0.5 0.581 90.5 122.4 87.3 9.8 -30.0 7.3 -47.4 8 9 A F E < -A 21 0A 32 -3,-1.2 -1,-0.3 13,-0.2 2,-0.3 -0.908 45.5-160.0-103.7 132.2 -27.8 5.0 -45.3 9 10 A Y E -A 20 0A 55 11,-3.1 11,-1.7 -2,-0.5 2,-0.4 -0.845 13.4-128.8-113.2 152.2 -25.2 2.9 -47.1 10 11 A K E +A 19 0A 141 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.815 36.6 160.0-100.3 133.5 -23.5 -0.2 -45.9 11 12 A Q E -A 18 0A 82 7,-2.4 7,-3.4 -2,-0.4 2,-0.4 -0.969 36.7-120.3-159.0 137.0 -19.6 -0.4 -46.1 12 13 A D E +A 17 0A 106 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.620 27.9 178.5 -80.0 131.4 -16.7 -2.3 -44.6 13 14 A V E > S-A 16 0A 8 3,-3.4 3,-1.4 -2,-0.4 15,-0.1 -0.981 74.3 -8.8-133.8 125.2 -14.1 -0.3 -42.7 14 15 A N T 3 S- 0 0 67 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.902 130.1 -57.9 52.9 42.8 -11.1 -2.1 -41.1 15 16 A K T 3 S+ 0 0 195 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.591 120.2 102.8 65.7 13.3 -12.8 -5.4 -41.9 16 17 A T E < S-A 13 0A 58 -3,-1.4 -3,-3.4 -5,-0.1 2,-0.4 -0.906 77.3-107.2-118.0 155.2 -16.0 -4.4 -39.9 17 18 A A E -A 12 0A 41 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.669 34.0-168.8 -84.6 130.8 -19.3 -3.3 -41.4 18 19 A W E -A 11 0A 3 -7,-3.4 -7,-2.4 -2,-0.4 2,-0.5 -0.859 13.7-150.9-114.0 151.9 -20.2 0.4 -41.0 19 20 A E E +A 10 0A 43 -2,-0.3 -9,-0.2 -9,-0.2 -2,-0.0 -0.883 27.1 171.3-124.5 100.4 -23.6 2.1 -41.7 20 21 A L E -A 9 0A 0 -11,-1.7 -11,-3.1 -2,-0.5 -2,-0.0 -0.824 35.2-110.7-113.7 146.8 -23.1 5.7 -42.8 21 22 A P E > -A 8 0A 19 0, 0.0 3,-1.5 0, 0.0 -13,-0.2 -0.335 39.1-108.0 -64.3 155.9 -25.5 8.4 -44.1 22 23 A K T 3 S+ 0 0 119 -15,-2.3 22,-0.1 1,-0.3 -14,-0.1 0.733 114.1 69.0 -61.2 -23.8 -25.0 9.3 -47.8 23 24 A T T 3 S+ 0 0 26 -16,-0.2 21,-2.4 1,-0.1 2,-0.6 0.777 90.8 68.4 -68.8 -25.1 -23.5 12.7 -46.8 24 25 A Y E < S+B 43 0B 3 -3,-1.5 2,-0.2 19,-0.2 19,-0.2 -0.860 70.2 168.6-100.3 119.2 -20.5 11.1 -45.3 25 26 A V E +B 42 0B 51 17,-2.2 17,-2.7 -2,-0.6 -2,-0.0 -0.734 43.7 37.4-127.0 174.3 -18.2 9.5 -47.9 26 27 A S E - 0 0 80 -2,-0.2 -1,-0.2 15,-0.2 2,-0.2 0.918 69.7-160.4 49.2 55.7 -14.7 7.9 -48.2 27 28 A P E - 0 0 18 0, 0.0 2,-0.4 0, 0.0 14,-0.2 -0.443 10.1-173.0 -66.2 133.9 -14.6 6.2 -44.8 28 29 A T E -B 40 0B 80 12,-2.1 12,-2.7 -2,-0.2 -15,-0.1 -0.984 26.7-111.2-137.1 123.1 -11.1 5.4 -43.7 29 30 A H E +B 39 0B 74 -2,-0.4 10,-0.3 10,-0.2 3,-0.1 -0.208 37.2 166.8 -54.8 131.3 -10.0 3.5 -40.7 30 31 A V E - 0 0 75 8,-2.5 2,-0.3 1,-0.3 9,-0.2 0.757 58.2 -34.7-109.5 -53.9 -8.2 5.5 -38.0 31 32 A G E -B 38 0B 24 7,-1.5 7,-3.1 2,-0.0 2,-0.3 -0.983 44.4-121.0-168.6 158.9 -8.1 3.2 -35.0 32 33 A S E -B 37 0B 87 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.844 35.4-173.5-106.2 145.3 -9.8 0.6 -32.9 33 34 A G - 0 0 49 3,-2.6 136,-0.1 -2,-0.3 135,-0.0 -0.567 38.7 -96.9-129.6-171.1 -10.7 1.1 -29.2 34 35 A A S S+ 0 0 82 134,-0.2 135,-0.1 -2,-0.2 3,-0.1 0.813 121.3 18.8 -79.2 -31.6 -12.0 -0.4 -26.0 35 36 A Y S S- 0 0 54 1,-0.1 21,-2.4 33,-0.0 2,-0.3 0.386 133.9 -19.6-123.5 -2.5 -15.6 0.8 -26.5 36 37 A G E - C 0 55B 8 19,-0.3 -3,-2.6 21,-0.0 2,-0.3 -0.924 63.3 -99.7-174.2-160.9 -15.7 1.6 -30.2 37 38 A S E -BC 32 54B 21 17,-1.8 17,-3.4 -2,-0.3 2,-0.4 -0.993 23.9-140.2-148.5 150.3 -13.8 2.3 -33.4 38 39 A V E +BC 31 53B 26 -7,-3.1 -8,-2.5 -2,-0.3 -7,-1.5 -0.860 18.0 171.9-117.8 144.1 -12.9 5.4 -35.3 39 40 A C E -BC 29 52B 0 13,-2.3 13,-3.5 -2,-0.4 2,-0.3 -0.939 28.8-120.7-135.4 163.9 -12.7 6.4 -39.0 40 41 A S E -BC 28 51B 11 -12,-2.7 -12,-2.1 -2,-0.3 2,-0.3 -0.818 32.2-177.3-100.5 149.8 -12.3 9.6 -40.9 41 42 A A E - C 0 50B 1 9,-3.0 9,-3.7 -2,-0.3 2,-0.6 -0.979 26.3-124.6-143.1 155.3 -14.9 10.8 -43.4 42 43 A I E -BC 25 49B 59 -17,-2.7 -17,-2.2 -2,-0.3 2,-1.0 -0.907 20.0-140.4-100.6 120.8 -15.5 13.6 -45.9 43 44 A D E >>> -BC 24 48B 17 5,-2.7 4,-3.3 -2,-0.6 3,-1.5 -0.705 12.2-159.2 -76.3 103.1 -18.7 15.6 -45.4 44 45 A K T 345S+ 0 0 138 -21,-2.4 -1,-0.2 -2,-1.0 -20,-0.1 0.726 83.4 70.8 -60.2 -21.5 -19.7 16.1 -49.0 45 46 A R T 345S+ 0 0 161 -22,-0.3 -1,-0.3 1,-0.2 -21,-0.1 0.864 126.0 1.0 -63.0 -37.2 -21.9 19.1 -48.1 46 47 A S T <45S- 0 0 88 -3,-1.5 -2,-0.2 2,-0.1 -1,-0.2 0.390 95.5-117.2-135.1 -2.9 -18.9 21.2 -47.3 47 48 A G T <5 + 0 0 48 -4,-3.3 2,-0.2 1,-0.2 -3,-0.2 0.508 62.1 146.7 80.3 3.7 -15.9 19.0 -48.1 48 49 A E E < -C 43 0B 131 -5,-0.5 -5,-2.7 -6,-0.1 2,-0.4 -0.510 49.5-122.5 -78.7 142.2 -14.5 19.0 -44.6 49 50 A K E +C 42 0B 90 -7,-0.2 59,-1.1 -2,-0.2 2,-0.3 -0.689 37.6 179.1 -83.1 129.2 -12.7 16.0 -43.2 50 51 A V E -CD 41 107B 5 -9,-3.7 -9,-3.0 -2,-0.4 2,-0.4 -0.808 25.7-124.2-126.1 166.2 -14.4 14.6 -40.0 51 52 A A E -CD 40 106B 10 55,-3.4 55,-3.0 -2,-0.3 2,-0.4 -0.912 21.3-161.8-110.5 142.1 -13.8 11.8 -37.6 52 53 A I E -CD 39 105B 0 -13,-3.5 -13,-2.3 -2,-0.4 2,-0.6 -0.984 4.1-157.3-128.0 124.3 -16.6 9.3 -36.8 53 54 A K E -CD 38 104B 19 51,-2.4 51,-2.1 -2,-0.4 2,-0.6 -0.879 7.7-153.2 -99.0 123.4 -16.7 7.0 -33.8 54 55 A K E -CD 37 103B 34 -17,-3.4 -17,-1.8 -2,-0.6 2,-0.3 -0.855 19.1-130.6 -93.5 122.6 -18.8 3.8 -34.1 55 56 A L E -C 36 0B 4 47,-2.2 2,-0.7 -2,-0.6 -19,-0.3 -0.586 18.0-137.7 -74.7 131.3 -20.0 2.6 -30.7 56 57 A S - 0 0 45 -21,-2.4 4,-0.2 -2,-0.3 45,-0.1 -0.837 68.3 -38.5 -97.4 115.5 -19.3 -1.1 -30.2 57 58 A R S > S+ 0 0 179 -2,-0.7 3,-1.5 1,-0.1 -1,-0.2 0.865 71.7 173.3 36.1 60.6 -22.2 -3.0 -28.6 58 59 A P T 3 S+ 0 0 2 0, 0.0 3,-0.4 0, 0.0 10,-0.2 0.669 74.3 55.9 -69.0 -13.8 -23.1 -0.1 -26.3 59 60 A F T 3 S+ 0 0 32 41,-0.5 3,-0.1 1,-0.2 -2,-0.1 0.117 72.4 103.6-105.9 19.7 -26.2 -2.0 -25.1 60 61 A Q S < S- 0 0 103 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.763 96.4 -5.5 -72.2 -25.4 -24.3 -5.2 -24.1 61 62 A S S > S- 0 0 36 -3,-0.4 4,-2.3 -4,-0.2 -1,-0.2 -0.977 73.6-102.0-163.3 159.9 -24.7 -4.2 -20.4 62 63 A E H > S+ 0 0 78 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.840 120.0 56.1 -53.7 -38.1 -26.0 -1.3 -18.2 63 64 A I H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 109.4 44.9 -61.4 -48.3 -22.4 -0.2 -17.6 64 65 A F H > S+ 0 0 48 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.895 112.8 50.9 -62.6 -43.3 -21.7 0.1 -21.4 65 66 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.927 111.3 46.7 -64.0 -46.5 -25.0 1.9 -22.0 66 67 A K H X S+ 0 0 44 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.882 113.8 50.5 -60.6 -40.6 -24.5 4.5 -19.3 67 68 A R H X S+ 0 0 52 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.964 112.1 44.8 -61.2 -54.0 -20.9 5.0 -20.5 68 69 A A H X S+ 0 0 5 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.853 114.5 50.1 -59.4 -38.1 -22.0 5.5 -24.1 69 70 A Y H X S+ 0 0 18 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.888 109.1 52.4 -67.9 -41.4 -24.8 7.8 -23.0 70 71 A R H X S+ 0 0 78 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.926 108.1 49.0 -60.5 -47.7 -22.4 9.8 -20.8 71 72 A E H X S+ 0 0 33 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.897 110.3 53.4 -60.7 -39.1 -19.9 10.4 -23.7 72 73 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.895 111.4 44.5 -61.7 -42.7 -22.7 11.6 -25.9 73 74 A L H X S+ 0 0 25 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.886 111.8 51.6 -72.6 -40.7 -23.9 14.1 -23.3 74 75 A L H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.953 111.7 46.5 -58.6 -52.3 -20.5 15.5 -22.5 75 76 A L H < S+ 0 0 16 -4,-2.2 11,-1.1 1,-0.2 -1,-0.2 0.868 113.4 49.8 -61.2 -38.8 -19.6 16.1 -26.2 76 77 A K H < S+ 0 0 59 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.897 114.4 45.6 -61.8 -41.9 -23.0 17.7 -26.7 77 78 A H H < S+ 0 0 53 -4,-2.2 2,-0.5 -5,-0.1 -2,-0.2 0.810 93.7 83.8 -77.1 -34.7 -22.5 20.0 -23.7 78 79 A M < + 0 0 10 -4,-2.4 2,-0.4 -5,-0.1 8,-0.3 -0.618 48.5 174.5 -81.0 122.0 -19.0 21.1 -24.3 79 80 A Q + 0 0 131 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.757 31.8 118.5-128.0 82.5 -18.7 24.1 -26.6 80 81 A H > - 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0 0 4 -2,-0.3 11,-0.1 11,-0.2 -86,-0.1 -0.986 21.7-141.8-137.8 142.5 -27.9 5.7 -35.8 92 93 A P S S+ 0 0 4 0, 0.0 -87,-2.3 0, 0.0 -84,-0.1 0.604 70.1 116.2 -75.6 -11.8 -28.9 3.6 -38.9 93 94 A A - 0 0 4 8,-0.3 -2,-0.2 -89,-0.2 -89,-0.1 -0.121 50.1-166.0 -55.1 152.0 -31.7 2.1 -36.7 94 95 A S S S+ 0 0 36 -92,-0.2 2,-0.2 -91,-0.1 -1,-0.1 0.448 71.5 6.1-117.3 -8.8 -35.3 2.8 -37.7 95 96 A S S > S- 0 0 48 -93,-0.1 4,-0.7 1,-0.0 -1,-0.1 -0.830 85.4 -87.3-154.0-168.8 -36.8 1.6 -34.4 96 97 A L T 4 S+ 0 0 70 -2,-0.2 -3,-0.0 2,-0.2 -1,-0.0 0.787 125.1 48.9 -85.0 -30.1 -36.0 0.4 -30.9 97 98 A R T 4 S+ 0 0 217 1,-0.2 -1,-0.2 3,-0.0 -4,-0.0 0.832 113.3 50.3 -72.7 -31.3 -35.7 -3.3 -31.8 98 99 A N T 4 S+ 0 0 31 2,-0.0 2,-0.6 -6,-0.0 -2,-0.2 0.733 85.5 105.7 -74.5 -25.7 -33.4 -2.1 -34.6 99 100 A F < + 0 0 0 -4,-0.7 3,-0.1 1,-0.2 232,-0.0 -0.437 28.0 138.5 -66.7 105.8 -31.3 0.1 -32.3 100 101 A Y - 0 0 150 -2,-0.6 -41,-0.5 1,-0.4 2,-0.3 0.616 68.9 -12.5-118.9 -26.8 -28.0 -1.7 -31.7 101 102 A D - 0 0 24 -3,-0.2 -1,-0.4 -44,-0.1 -8,-0.3 -0.932 54.6-143.2-159.9 179.3 -25.5 1.2 -31.9 102 103 A F - 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0 0 55 -55,-0.9 4,-2.8 1,-0.2 3,-0.4 -0.890 59.1-168.3-105.3 106.3 -4.1 8.5 5.6 241 253 A K H > S+ 0 0 174 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.901 88.8 51.5 -60.9 -43.7 -2.4 7.9 8.9 242 254 A A H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.769 112.7 46.9 -66.5 -26.3 -0.0 5.3 7.5 243 255 A A H > S+ 0 0 14 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.904 111.4 50.2 -77.9 -45.1 0.9 7.8 4.7 244 256 A K H X S+ 0 0 41 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.932 114.3 45.9 -54.8 -49.2 1.4 10.6 7.2 245 257 A S H X S+ 0 0 64 -4,-3.0 4,-1.2 2,-0.2 -2,-0.2 0.961 111.8 50.5 -56.8 -56.9 3.6 8.4 9.3 246 258 A Y H X S+ 0 0 71 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.878 111.4 48.0 -51.5 -47.4 5.6 7.1 6.3 247 259 A I H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.940 110.8 50.7 -59.5 -48.4 6.3 10.6 5.0 248 260 A Q H 3< S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.679 107.6 55.8 -64.2 -18.0 7.4 11.8 8.5 249 261 A S H 3< S+ 0 0 90 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.547 91.1 95.1 -91.7 -10.0 9.7 8.8 8.6 250 262 A L S << S- 0 0 39 -3,-1.5 2,-0.6 -4,-0.5 -3,-0.0 -0.279 97.3 -86.3 -72.9 161.2 11.5 9.7 5.4 251 263 A P - 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0 0 27 1,-0.1 4,-2.8 4,-0.0 5,-0.3 -0.388 32.7-106.0 -70.4 155.5 13.5 29.6 -18.6 267 279 A P H > S+ 0 0 109 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.839 122.7 48.0 -52.3 -38.8 12.7 31.2 -15.2 268 280 A Q H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 27,-0.3 0.852 111.7 50.8 -73.1 -33.2 9.0 31.7 -16.1 269 281 A A H > S+ 0 0 0 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.959 113.8 42.9 -65.1 -52.4 8.8 28.1 -17.2 270 282 A A H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.897 112.6 54.5 -60.8 -43.3 10.4 26.7 -14.1 271 283 A D H X S+ 0 0 59 -4,-2.1 4,-0.9 -5,-0.3 -1,-0.2 0.892 111.0 44.0 -58.2 -44.0 8.3 29.0 -11.9 272 284 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 3,-0.4 0.886 112.1 53.1 -70.0 -39.6 5.1 27.8 -13.4 273 285 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.7 0.936 105.4 55.7 -55.6 -47.6 6.2 24.2 -13.2 274 286 A E H 3< S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 110.0 46.3 -52.3 -34.0 6.9 24.8 -9.5 275 287 A K H 3< S+ 0 0 89 -4,-0.9 10,-1.9 -3,-0.4 3,-0.3 0.650 115.2 42.8 -92.4 -18.7 3.3 25.9 -9.1 276 288 A M H << S+ 0 0 0 -4,-1.3 2,-1.7 -3,-0.7 -2,-0.2 0.818 106.7 60.8 -91.7 -39.5 1.6 23.1 -11.0 277 289 A L S < S+ 0 0 0 -4,-2.9 2,-0.5 -5,-0.2 -1,-0.2 -0.287 79.2 138.8 -80.8 52.6 3.8 20.3 -9.6 278 290 A E - 0 0 39 -2,-1.7 6,-0.2 -3,-0.3 -83,-0.1 -0.880 47.1-155.8-108.1 123.6 2.5 21.2 -6.1 279 291 A L S S+ 0 0 3 -2,-0.5 2,-0.6 -52,-0.1 -1,-0.1 0.896 78.6 80.6 -63.1 -43.1 1.7 18.4 -3.6 280 292 A D S >> S- 0 0 0 1,-0.2 4,-1.9 2,-0.1 3,-1.2 -0.562 70.8-155.9 -68.6 113.2 -0.7 20.5 -1.6 281 293 A V T 34 S+ 0 0 6 -2,-0.6 -90,-0.2 1,-0.3 -1,-0.2 0.527 92.5 57.6 -72.3 -4.9 -3.9 20.5 -3.6 282 294 A D T 34 S+ 0 0 108 1,-0.1 -1,-0.3 -93,-0.0 -2,-0.1 0.639 111.5 40.4 -93.5 -21.3 -4.9 23.8 -2.0 283 295 A K T <4 S+ 0 0 91 -3,-1.2 -2,-0.2 2,-0.1 3,-0.1 0.674 90.8 107.0 -97.7 -23.0 -1.7 25.5 -3.2 284 296 A R S < S- 0 0 5 -4,-1.9 -8,-0.2 -6,-0.2 -93,-0.1 -0.312 80.1-103.0 -61.0 136.4 -1.7 23.9 -6.7 285 297 A L - 0 0 26 -10,-1.9 2,-0.2 -13,-0.2 -91,-0.1 -0.235 28.6-136.6 -58.4 143.5 -2.7 26.3 -9.4 286 298 A T > - 0 0 53 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.437 30.3-103.2 -85.0 173.1 -6.1 26.1 -11.0 287 299 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -149,-0.2 0.949 123.1 47.2 -63.7 -49.1 -6.5 26.3 -14.7 288 300 A A H > S+ 0 0 41 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.867 113.9 48.9 -60.8 -38.0 -7.8 30.0 -14.6 289 301 A Q H >4 S+ 0 0 99 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.908 109.7 50.9 -66.9 -42.6 -4.9 30.9 -12.3 290 302 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 -2,-0.2 0.837 100.1 64.5 -65.6 -33.1 -2.3 29.2 -14.5 291 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.759 96.9 58.1 -60.5 -25.1 -3.6 31.1 -17.5 292 304 A T T << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.543 80.1 117.5 -84.5 -8.3 -2.5 34.3 -15.9 293 305 A H S X S- 0 0 12 -3,-1.6 3,-2.2 -4,-0.3 -25,-0.0 -0.321 76.0-121.1 -64.6 141.5 1.1 33.2 -15.6 294 306 A P G > S+ 0 0 77 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.645 104.6 80.1 -56.9 -17.2 3.8 35.3 -17.5 295 307 A F G 3 S+ 0 0 0 1,-0.3 -164,-0.1 -27,-0.3 -26,-0.1 0.740 96.2 44.9 -62.1 -23.4 4.7 32.1 -19.4 296 308 A F G X> S+ 0 0 0 -3,-2.2 4,-2.3 -6,-0.2 3,-1.1 0.156 78.7 116.7-107.4 18.1 1.7 32.7 -21.6 297 309 A E T <4 S+ 0 0 143 -3,-1.8 -1,-0.2 1,-0.3 3,-0.1 0.897 74.6 48.8 -52.8 -50.0 2.3 36.5 -22.1 298 310 A P T 34 S+ 0 0 78 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.679 123.9 32.0 -68.3 -14.2 2.8 36.3 -25.9 299 311 A F T <4 S+ 0 0 54 -3,-1.1 -2,-0.2 -172,-0.0 -3,-0.1 0.584 84.4 123.8-114.5 -17.0 -0.3 34.2 -26.4 300 312 A R < + 0 0 101 -4,-2.3 -8,-0.0 -3,-0.1 -3,-0.0 -0.235 23.4 167.4 -65.0 131.8 -2.8 35.3 -23.7 301 313 A D >> - 0 0 61 1,-0.1 3,-2.3 0, 0.0 4,-0.7 -0.837 21.4-159.1-139.9 101.1 -6.2 36.5 -24.7 302 314 A P G >4 S+ 0 0 79 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.736 92.0 60.8 -51.7 -30.3 -8.7 36.7 -21.8 303 315 A E G 34 S+ 0 0 165 1,-0.2 3,-0.2 2,-0.0 0, 0.0 0.742 99.7 56.6 -69.0 -24.9 -11.7 36.6 -24.2 304 316 A E G <4 S+ 0 0 72 -3,-2.3 2,-1.5 1,-0.2 -1,-0.2 0.708 89.3 78.5 -77.3 -21.3 -10.5 33.2 -25.4 305 317 A E S << S+ 0 0 6 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.0 -0.409 70.4 163.9 -89.6 59.4 -10.6 31.9 -21.8 306 318 A T - 0 0 66 -2,-1.5 2,-0.3 -3,-0.2 -164,-0.1 -0.139 27.6-137.9 -70.7 167.8 -14.4 31.4 -21.7 307 319 A E - 0 0 125 -165,-0.1 2,-0.3 -166,-0.1 -168,-0.2 -0.794 31.6 -88.3-117.8 166.8 -16.4 29.3 -19.2 308 320 A A - 0 0 14 -169,-0.6 -230,-0.1 -2,-0.3 -228,-0.0 -0.592 29.4-142.9 -71.4 136.4 -19.3 27.0 -19.7 309 321 A Q S S+ 0 0 179 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.933 85.9 23.0 -66.7 -46.0 -22.6 28.8 -19.5 310 322 A Q S S- 0 0 130 -233,-0.2 -1,-0.2 -3,-0.1 2,-0.1 -0.912 89.8-108.3-121.4 148.9 -24.3 26.0 -17.7 311 323 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 -167,-0.2 -0.418 45.7 -93.6 -71.0 149.5 -22.8 23.2 -15.5 312 324 A F - 0 0 25 -169,-2.4 2,-0.7 -172,-0.2 -238,-0.1 -0.532 51.3-170.3 -63.0 111.5 -22.8 19.7 -17.0 313 325 A D + 0 0 141 -2,-0.6 2,-1.0 -3,-0.0 3,-0.1 -0.739 18.5 167.8-118.5 85.2 -26.1 18.4 -15.5 314 326 A D > - 0 0 20 -2,-0.7 3,-1.6 1,-0.2 4,-0.2 -0.806 12.2-172.6 -94.7 97.2 -26.7 14.7 -15.9 315 327 A S T 3 S+ 0 0 79 -2,-1.0 3,-0.5 1,-0.3 -1,-0.2 0.729 83.7 55.9 -56.6 -20.5 -29.6 14.0 -13.6 316 328 A L T 3 + 0 0 29 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.118 67.3 104.6-107.3 23.9 -29.1 10.3 -14.3 317 329 A E S < S+ 0 0 106 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.692 96.6 35.2 -68.6 -17.3 -25.5 9.9 -13.3 318 330 A H S S+ 0 0 129 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.530 98.1 105.6-114.8 -14.7 -26.8 8.1 -10.3 319 331 A E - 0 0 70 -4,-0.1 2,-0.2 1,-0.1 -3,-0.1 -0.088 54.0-154.2 -63.8 164.5 -29.8 6.4 -11.8 320 332 A K + 0 0 135 -254,-0.0 2,-0.2 6,-0.0 -1,-0.1 -0.602 27.5 159.4-146.3 79.4 -30.0 2.7 -12.5 321 333 A L - 0 0 34 -2,-0.2 5,-0.1 1,-0.2 0, 0.0 -0.492 44.2 -84.0-102.9 170.3 -32.4 1.9 -15.4 322 334 A T > - 0 0 70 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.240 38.5-110.3 -71.4 160.4 -32.7 -1.2 -17.6 323 335 A V H > S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.927 126.2 50.7 -56.2 -42.3 -30.6 -1.5 -20.8 324 336 A D H > S+ 0 0 91 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.876 108.6 52.0 -58.6 -41.4 -33.8 -1.0 -22.6 325 337 A E H > S+ 0 0 74 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.855 109.7 48.4 -66.6 -36.3 -34.4 2.1 -20.5 326 338 A W H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.890 107.7 55.7 -70.5 -38.7 -31.0 3.4 -21.3 327 339 A K H X S+ 0 0 28 -4,-2.5 4,-3.1 -5,-0.2 -2,-0.2 0.888 104.7 53.6 -56.5 -42.3 -31.6 2.8 -25.0 328 340 A Q H X S+ 0 0 100 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.876 111.2 45.2 -63.8 -38.3 -34.8 4.9 -24.9 329 341 A H H X S+ 0 0 49 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.881 115.0 45.9 -73.4 -41.2 -32.9 7.8 -23.4 330 342 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.916 112.3 53.8 -64.2 -41.7 -30.0 7.5 -25.9 331 343 A Y H X S+ 0 0 49 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.915 109.6 47.4 -57.4 -46.5 -32.6 7.2 -28.6 332 344 A K H X S+ 0 0 112 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 109.1 53.2 -62.2 -45.9 -34.3 10.4 -27.5 333 345 A E H < S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.828 110.6 47.7 -61.0 -33.8 -31.0 12.3 -27.3 334 346 A I H >< S+ 0 0 19 -4,-1.9 3,-1.3 2,-0.2 -1,-0.2 0.922 109.8 52.2 -72.7 -46.0 -30.1 11.4 -30.9 335 347 A V H 3< S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.915 113.3 42.4 -55.8 -49.4 -33.5 12.2 -32.3 336 348 A N T 3< S+ 0 0 88 -4,-2.2 -1,-0.3 -5,-0.1 2,-0.2 0.071 87.3 119.5 -94.7 26.3 -33.7 15.7 -30.8 337 349 A F < - 0 0 32 -3,-1.3 -3,-0.1 -248,-0.1 -248,-0.0 -0.591 41.4-169.5 -83.2 152.0 -30.0 16.7 -31.6 338 350 A S 0 0 98 -2,-0.2 -250,-0.0 1,-0.1 -2,-0.0 -0.965 360.0 360.0-147.5 130.0 -29.3 19.7 -33.9 339 351 A P 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -251,-0.0 0.961 360.0 360.0 -65.8 360.0 -26.1 21.0 -35.5