==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-OCT-10 3P79 . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.K.MOFFETT,H.NAMBOODIRI . 332 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17553.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 62.3 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 . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 0.3 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-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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 28.9 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+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 1 1 1 0 0 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 2 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 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 5 A R 0 0 161 0, 0.0 87,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.2 75.7 22.5 -25.7 2 6 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.054 360.0-105.6 -61.9 171.6 75.3 26.0 -27.3 3 7 A T - 0 0 85 13,-0.0 15,-1.8 2,-0.0 16,-0.2 -0.936 36.8-151.3-104.9 135.4 77.3 29.1 -26.6 4 8 A F E -A 17 0A 38 -2,-0.4 2,-0.3 13,-0.2 11,-0.1 -0.480 7.1-158.0 -99.5 164.7 75.6 31.8 -24.5 5 9 A Y E -A 16 0A 59 11,-1.5 11,-1.6 -2,-0.2 2,-0.4 -0.972 14.6-127.1-143.6 155.8 75.9 35.6 -24.3 6 10 A R E +A 15 0A 157 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.832 26.5 170.6-112.3 139.9 75.1 38.1 -21.6 7 11 A Q E -A 14 0A 69 7,-1.5 7,-2.3 -2,-0.4 2,-0.6 -0.975 26.3-136.0-146.7 142.4 73.0 41.2 -22.0 8 12 A E E -A 13 0A 128 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.951 24.3-179.6-108.4 122.8 71.6 43.5 -19.4 9 13 A L E > -A 12 0A 28 3,-4.0 3,-2.2 -2,-0.6 15,-0.1 -0.973 68.9 -24.1-129.0 120.4 68.0 44.5 -19.9 10 14 A N T 3 S- 0 0 132 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.941 126.4 -50.7 38.3 61.3 66.3 46.9 -17.5 11 15 A K T 3 S+ 0 0 197 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.404 118.7 116.1 65.2 0.5 68.7 46.0 -14.8 12 16 A T E < -A 9 0A 38 -3,-2.2 -3,-4.0 2,-0.0 2,-0.3 -0.817 63.5-133.6 -99.5 135.5 68.1 42.3 -15.4 13 17 A I E -A 8 0A 79 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.724 20.2-168.2 -83.8 138.4 70.8 40.0 -16.7 14 18 A W E -A 7 0A 3 -7,-2.3 -7,-1.5 -2,-0.3 2,-0.6 -0.982 7.4-175.2-132.4 114.0 69.8 37.7 -19.6 15 19 A E E +A 6 0A 32 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.0 -0.905 22.4 159.7-114.5 104.9 72.1 34.8 -20.6 16 20 A V E -A 5 0A 0 -11,-1.6 -11,-1.5 -2,-0.6 -2,-0.1 -0.836 45.7 -91.7-125.9 153.8 70.7 33.1 -23.7 17 21 A P E > -A 4 0A 6 0, 0.0 3,-1.7 0, 0.0 -13,-0.2 -0.268 40.5-116.2 -58.3 157.1 72.0 30.9 -26.5 18 22 A E T 3 S+ 0 0 113 -15,-1.8 20,-0.2 1,-0.3 -14,-0.1 0.794 107.9 83.7 -75.6 -24.9 73.2 32.8 -29.5 19 23 A R T 3 S+ 0 0 62 -16,-0.2 19,-2.4 1,-0.1 2,-0.6 0.815 86.0 65.8 -27.6 -46.1 70.4 31.2 -31.4 20 24 A Y E < S+B 37 0B 1 -3,-1.7 2,-0.2 17,-0.2 17,-0.2 -0.825 70.3 173.5-100.4 117.7 68.2 34.0 -29.9 21 25 A Q E +B 36 0B 80 15,-2.6 15,-3.2 -2,-0.6 -2,-0.0 -0.690 48.2 34.1-121.3 164.9 69.0 37.7 -31.0 22 26 A N E - 0 0 121 -2,-0.2 -1,-0.2 13,-0.2 12,-0.1 0.831 69.0-162.7 65.1 36.8 67.5 41.2 -30.6 23 27 A L E + 0 0 11 -3,-0.2 12,-0.2 12,-0.1 -1,-0.1 -0.228 13.8 176.8 -56.0 141.6 66.2 40.7 -27.1 24 28 A S E -B 34 0B 59 10,-1.8 10,-3.0 -15,-0.1 -15,-0.0 -0.933 29.0-106.5-158.9 123.6 63.7 43.4 -26.4 25 29 A P E +B 33 0B 61 0, 0.0 8,-0.2 0, 0.0 3,-0.1 -0.041 30.1 172.8 -66.2 156.1 61.6 43.9 -23.3 26 30 A V E - 0 0 90 6,-1.7 2,-0.2 1,-0.3 7,-0.2 0.408 61.5 -66.9-134.3 -17.0 57.9 43.2 -23.1 27 31 A G E B 32 0B 42 5,-0.8 5,-1.9 0, 0.0 -1,-0.3 -0.697 360.0 360.0 140.0 166.6 57.3 43.7 -19.3 28 32 A S 0 0 133 3,-0.2 3,-0.2 -2,-0.2 0, 0.0 -0.789 360.0 360.0-135.3 360.0 58.0 42.4 -15.7 29 ! 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 30 36 A G 0 0 46 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 173.6 59.3 36.5 -14.5 31 37 A S E - C 0 48B 16 17,-1.5 17,-2.4 -3,-0.2 2,-0.4 -0.916 360.0-149.5-116.3 153.6 60.5 39.1 -17.0 32 38 A V E -BC 27 47B 24 -5,-1.9 -6,-1.7 -2,-0.4 -5,-0.8 -0.968 10.5-169.2-129.1 133.2 59.7 38.4 -20.7 33 39 A C E -BC 25 46B 3 13,-2.7 13,-3.2 -2,-0.4 2,-0.2 -0.988 20.4-132.8-122.1 136.5 61.6 39.5 -23.8 34 40 A A E +BC 24 45B 21 -10,-3.0 -10,-1.8 -2,-0.4 2,-0.3 -0.624 38.7 170.8 -69.7 146.6 60.7 39.4 -27.5 35 41 A A E - C 0 44B 6 9,-2.3 9,-3.4 -2,-0.2 2,-0.5 -0.971 35.0-115.4-155.7 163.0 63.6 37.9 -29.6 36 42 A F E -BC 21 43B 78 -15,-3.2 -15,-2.6 -2,-0.3 2,-0.9 -0.916 23.5-144.2-109.3 126.6 64.4 36.7 -33.1 37 43 A D E >>> -BC 20 42B 1 5,-2.9 4,-2.3 -2,-0.5 3,-1.6 -0.801 11.1-169.4 -96.6 107.5 65.1 33.0 -33.4 38 44 A T T 345S+ 0 0 72 -19,-2.4 -1,-0.2 -2,-0.9 -18,-0.1 0.788 82.1 65.4 -68.1 -30.1 67.8 32.5 -36.1 39 45 A K T 345S+ 0 0 156 -20,-0.3 -1,-0.3 1,-0.2 -19,-0.1 0.529 125.6 14.5 -68.3 -2.8 67.5 28.8 -36.3 40 46 A T T <45S- 0 0 74 -3,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.412 93.5-127.1-142.5 -14.1 63.9 29.4 -37.7 41 47 A G T <5S+ 0 0 39 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.658 71.8 123.5 60.1 17.3 63.8 33.1 -38.6 42 48 A H E < -C 37 0B 131 -5,-0.8 -5,-2.9 -6,-0.0 -1,-0.3 -0.795 65.3-115.6-102.9 151.6 60.7 33.3 -36.5 43 49 A R E -C 36 0B 175 -2,-0.3 59,-1.7 -7,-0.2 2,-0.3 -0.600 37.1-174.9 -87.0 146.4 60.2 35.7 -33.6 44 50 A V E -CD 35 101B 2 -9,-3.4 -9,-2.3 -2,-0.2 2,-0.4 -0.793 25.1-123.6-131.9 173.4 59.8 34.3 -30.1 45 51 A A E -CD 34 100B 18 55,-2.7 55,-1.9 -2,-0.3 2,-0.5 -0.983 23.0-160.1-121.4 130.6 59.1 35.3 -26.5 46 52 A V E -CD 33 99B 0 -13,-3.2 -13,-2.7 -2,-0.4 2,-0.5 -0.967 1.5-161.6-116.3 125.0 61.6 34.3 -23.8 47 53 A K E -CD 32 98B 48 51,-2.6 51,-2.4 -2,-0.5 2,-0.7 -0.936 4.0-158.2-107.5 124.4 60.6 34.2 -20.1 48 54 A K E -CD 31 97B 27 -17,-2.4 -17,-1.5 -2,-0.5 49,-0.2 -0.909 25.3-127.0 -94.7 118.6 63.3 34.2 -17.4 49 55 A L - 0 0 11 47,-2.5 2,-0.7 -2,-0.7 47,-0.3 -0.377 21.8-125.7 -63.9 132.8 61.8 32.7 -14.3 50 56 A S S S- 0 0 71 1,-0.2 -1,-0.1 -2,-0.1 45,-0.0 -0.740 78.5 -22.7 -87.5 120.4 62.3 35.1 -11.3 51 57 A R S > S- 0 0 168 -2,-0.7 3,-1.4 1,-0.1 4,-0.3 0.926 75.0-174.3 60.1 53.0 64.0 33.5 -8.2 52 58 A P T 3 S+ 0 0 2 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.793 77.0 26.8 -57.4 -27.4 63.1 29.9 -9.3 53 59 A F T 3 S+ 0 0 15 41,-0.3 6,-0.1 1,-0.1 -2,-0.1 0.013 78.7 118.5-127.2 25.8 64.4 28.3 -6.2 54 60 A Q S < S+ 0 0 106 -3,-1.4 2,-0.3 2,-0.0 -1,-0.1 0.871 85.5 9.9 -70.3 -39.0 64.2 30.9 -3.4 55 61 A S S > S- 0 0 42 -4,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.863 81.4-104.2-130.6 167.1 61.8 28.9 -1.2 56 62 A I H > S+ 0 0 82 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.927 125.0 49.9 -53.0 -48.9 60.4 25.3 -1.2 57 63 A I H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.907 109.9 48.6 -58.2 -42.8 57.2 26.8 -2.5 58 64 A H H > S+ 0 0 53 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 111.6 52.2 -62.6 -37.6 58.9 28.7 -5.3 59 65 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.853 108.8 47.4 -68.4 -39.8 60.8 25.6 -6.2 60 66 A K H X S+ 0 0 28 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.881 111.7 53.0 -72.1 -34.3 57.6 23.5 -6.4 61 67 A R H X S+ 0 0 143 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.838 108.5 49.8 -59.6 -37.2 56.1 26.4 -8.6 62 68 A T H X S+ 0 0 9 -4,-1.5 4,-2.2 -10,-0.4 -2,-0.2 0.947 113.4 44.8 -70.8 -46.4 59.0 26.3 -10.9 63 69 A Y H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.900 111.9 54.1 -63.3 -43.7 58.8 22.5 -11.3 64 70 A R H X S+ 0 0 84 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.931 110.0 46.9 -55.2 -53.2 54.9 22.8 -11.7 65 71 A E H X S+ 0 0 54 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.881 112.9 46.9 -58.3 -45.9 55.4 25.3 -14.6 66 72 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.938 113.7 47.5 -64.2 -46.7 58.0 23.3 -16.5 67 73 A R H X S+ 0 0 38 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.939 115.5 46.3 -59.4 -45.7 56.1 20.1 -16.2 68 74 A L H >X S+ 0 0 49 -4,-2.5 4,-1.9 -5,-0.2 3,-0.9 0.954 114.2 45.4 -65.8 -49.4 52.8 21.7 -17.3 69 75 A L H 3< S+ 0 0 16 -4,-2.7 11,-0.7 1,-0.3 -1,-0.2 0.837 110.8 54.4 -68.2 -32.6 54.3 23.6 -20.2 70 76 A K H 3< S+ 0 0 36 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.738 111.4 46.5 -67.0 -26.3 56.2 20.5 -21.4 71 77 A H H << S+ 0 0 40 -4,-1.2 2,-0.7 -3,-0.9 232,-0.2 0.787 87.7 94.9 -83.8 -35.4 53.0 18.6 -21.4 72 78 A M < + 0 0 6 -4,-1.9 2,-0.4 -5,-0.1 8,-0.4 -0.500 40.8 158.8 -67.2 106.9 50.8 21.2 -23.3 73 79 A K + 0 0 160 -2,-0.7 2,-0.3 6,-0.1 6,-0.1 -0.808 29.2 112.5-132.4 84.7 50.8 20.3 -27.0 74 80 A H > - 0 0 20 3,-0.5 3,-1.9 -2,-0.4 57,-0.0 -0.967 68.8-119.6-159.8 143.6 47.8 21.8 -28.7 75 81 A E T 3 S+ 0 0 134 1,-0.3 4,-0.1 -2,-0.3 56,-0.1 0.734 111.9 44.4 -64.5 -24.3 47.1 24.6 -31.2 76 82 A N T 3 S+ 0 0 5 83,-0.1 84,-2.0 2,-0.1 2,-0.4 0.055 106.2 71.1-106.8 23.7 45.1 26.8 -28.9 77 83 A V B < S-f 160 0C 6 -3,-1.9 -3,-0.5 82,-0.3 84,-0.2 -0.999 92.7 -94.5-140.6 137.9 47.4 26.5 -25.8 78 84 A I - 0 0 33 82,-3.2 2,-0.3 -2,-0.4 -2,-0.1 -0.195 47.1-166.2 -48.6 135.3 50.8 27.9 -25.2 79 85 A G - 0 0 19 -6,-0.1 2,-0.7 -4,-0.1 22,-0.3 -0.875 22.0-108.3-123.7 161.3 53.5 25.4 -26.1 80 86 A L + 0 0 14 -11,-0.7 20,-0.2 -8,-0.4 3,-0.1 -0.812 28.0 173.2 -92.3 116.5 57.3 25.1 -25.4 81 87 A L S S- 0 0 29 18,-3.2 2,-0.3 -2,-0.7 19,-0.2 0.782 75.5 -12.9 -78.2 -34.2 59.6 25.7 -28.3 82 88 A D E -E 99 0B 27 17,-1.3 17,-2.6 250,-0.1 2,-0.3 -0.991 50.3-160.6-161.9 156.4 62.7 25.5 -25.9 83 89 A V E +E 98 0B 8 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.951 27.6 164.4-143.5 131.3 63.7 25.4 -22.3 84 90 A F E -E 97 0B 14 13,-2.2 13,-2.5 -2,-0.3 3,-0.1 -0.932 23.8-161.3-143.2 165.0 67.3 26.2 -21.3 85 91 A T - 0 0 13 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.978 24.5-136.0-139.3 140.8 69.6 27.2 -18.5 86 92 A P S S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.895 75.3 107.7 -56.2 -42.5 73.2 28.7 -18.6 87 93 A A - 0 0 15 8,-0.2 -2,-0.2 1,-0.1 3,-0.1 0.020 57.5-158.1 -37.9 137.3 74.3 26.2 -15.9 88 94 A R S S+ 0 0 152 1,-0.1 2,-0.3 -87,-0.0 -1,-0.1 0.423 76.9 16.1 -92.6 -2.3 76.7 23.4 -17.0 89 95 A S S > S- 0 0 29 1,-0.1 4,-1.8 0, 0.0 3,-0.2 -0.990 83.1 -98.1-165.8 161.7 75.6 21.3 -14.0 90 96 A L T 4 S+ 0 0 53 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.848 120.2 55.5 -58.6 -39.2 73.1 20.7 -11.2 91 97 A E T 4 S+ 0 0 154 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.0 0.889 113.1 41.4 -59.8 -43.6 75.5 22.6 -8.7 92 98 A E T 4 S+ 0 0 127 -3,-0.2 -2,-0.2 -6,-0.0 -1,-0.2 0.745 87.9 120.7 -72.5 -28.5 75.5 25.7 -11.0 93 99 A F < + 0 0 0 -4,-1.8 3,-0.1 1,-0.2 231,-0.1 -0.154 19.2 126.0 -46.9 106.5 71.8 25.5 -11.8 94 100 A N + 0 0 83 1,-0.2 2,-0.4 -2,-0.1 -41,-0.3 0.516 56.2 58.1-134.7 -12.0 70.0 28.6 -10.7 95 101 A D - 0 0 41 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.2 -0.975 52.8-165.2-128.2 136.6 68.1 30.1 -13.7 96 102 A V - 0 0 1 -2,-0.4 -47,-2.5 -47,-0.3 2,-0.4 -0.970 5.5-170.6-118.8 134.0 65.3 28.7 -16.0 97 103 A Y E -DE 48 84B 0 -13,-2.5 -13,-2.2 -2,-0.4 2,-0.3 -0.993 4.7-161.9-118.7 139.2 64.3 30.2 -19.3 98 104 A L E -DE 47 83B 11 -51,-2.4 -51,-2.6 -2,-0.4 2,-0.4 -0.885 4.4-155.7-119.1 146.8 61.3 29.1 -21.3 99 105 A V E +DE 46 82B 1 -17,-2.6 -18,-3.2 -2,-0.3 -17,-1.3 -0.981 20.2 154.7-127.2 134.1 60.7 29.8 -25.1 100 106 A T E -D 45 0B 23 -55,-1.9 -55,-2.7 -2,-0.4 -20,-0.1 -0.914 49.6 -66.0-144.9 172.0 57.4 30.0 -27.0 101 107 A H E -D 44 0B 92 -22,-0.3 2,-0.5 -2,-0.3 -57,-0.2 -0.321 50.9-118.6 -59.8 137.2 56.0 31.6 -30.2 102 108 A L - 0 0 53 -59,-1.7 2,-0.4 -67,-0.1 -59,-0.1 -0.657 29.4-159.5 -77.2 126.2 55.7 35.3 -30.1 103 109 A M - 0 0 41 -2,-0.5 50,-0.1 1,-0.1 3,-0.1 -0.884 13.6-137.2-113.1 153.5 52.1 36.5 -30.4 104 110 A G S S- 0 0 73 -2,-0.4 2,-0.3 1,-0.1 49,-0.1 0.821 70.9 -4.8 -80.1 -35.5 51.3 39.9 -31.5 105 111 A A E -G 152 0C 33 47,-0.7 47,-2.7 3,-0.0 2,-0.2 -0.954 60.7-118.2-155.8 157.3 48.5 41.0 -29.3 106 112 A D E > -G 151 0C 38 -2,-0.3 4,-1.7 45,-0.2 3,-0.3 -0.655 40.1-101.6-101.9 167.9 46.1 39.9 -26.5 107 113 A L H > S+ 0 0 0 43,-2.0 4,-2.2 40,-1.3 41,-0.2 0.785 117.9 62.1 -59.9 -34.7 42.4 39.7 -26.7 108 114 A N H > S+ 0 0 58 39,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.947 104.3 49.3 -49.1 -55.4 41.9 43.0 -24.7 109 115 A N H > S+ 0 0 82 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.913 111.2 49.6 -49.6 -50.0 43.8 44.9 -27.5 110 116 A I H < S+ 0 0 25 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.897 113.0 46.0 -56.3 -47.9 41.6 43.3 -30.1 111 117 A V H >< S+ 0 0 18 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.839 108.8 56.7 -68.0 -39.4 38.3 44.2 -28.3 112 118 A K H 3< S+ 0 0 143 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 118.0 27.0 -61.9 -49.6 39.3 47.8 -27.6 113 119 A C T 3< S+ 0 0 109 -4,-1.7 2,-0.2 -5,-0.2 -1,-0.2 0.082 119.8 50.6-109.5 32.3 40.0 49.0 -31.2 114 120 A Q < - 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0 0 46 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.175 37.7-131.7 -37.8 122.1 22.5 35.9 -32.2 261 279 A P H > S+ 0 0 106 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.814 110.1 56.6 -59.5 -26.4 19.9 33.9 -30.3 262 280 A L H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 27,-0.2 0.932 105.9 50.4 -67.7 -42.5 22.3 30.9 -30.4 263 281 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 110.8 49.1 -58.2 -41.5 25.0 33.1 -28.6 264 282 A V H X S+ 0 0 11 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.944 109.7 51.0 -63.3 -49.4 22.4 34.1 -25.9 265 283 A D H X S+ 0 0 56 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.903 110.5 48.8 -56.4 -45.6 21.4 30.5 -25.3 266 284 A L H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.4 0.914 110.0 52.5 -59.0 -43.5 25.1 29.5 -24.9 267 285 A L H >X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.3 3,-0.5 0.890 105.4 54.2 -61.0 -39.5 25.6 32.4 -22.5 268 286 A E H 3< S+ 0 0 60 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.863 109.8 48.5 -60.7 -30.8 22.7 31.2 -20.4 269 287 A K H 3< S+ 0 0 87 -4,-1.4 10,-2.3 -3,-0.4 3,-0.2 0.653 116.3 42.4 -87.9 -13.8 24.4 27.8 -20.2 270 288 A M H << S+ 0 0 0 -4,-1.1 2,-1.1 -3,-0.5 -2,-0.2 0.841 106.1 57.6 -95.3 -37.1 27.8 29.3 -19.2 271 289 A L S < S+ 0 0 3 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.439 71.9 137.1-100.3 55.4 26.8 32.0 -16.6 272 290 A V - 0 0 41 -2,-1.1 6,-0.1 -3,-0.2 5,-0.1 -0.873 52.6-142.0-101.7 132.8 24.9 29.7 -14.2 273 291 A L S S+ 0 0 30 -2,-0.4 2,-0.7 -52,-0.2 -99,-0.2 0.950 88.1 75.0 -60.3 -45.9 25.6 30.3 -10.5 274 292 A D S > S- 0 0 17 1,-0.2 3,-2.5 -3,-0.1 4,-0.4 -0.535 72.4-156.2 -74.0 114.3 25.5 26.6 -9.8 275 293 A S G > S+ 0 0 27 -2,-0.7 3,-0.9 1,-0.3 -1,-0.2 0.795 91.4 61.7 -66.9 -26.4 28.8 25.1 -11.1 276 294 A D G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.1 0.612 104.3 49.8 -65.2 -15.8 27.2 21.7 -11.5 277 295 A K G < S+ 0 0 126 -3,-2.5 2,-0.3 -5,-0.1 -1,-0.2 0.455 86.0 109.4-104.6 -0.5 24.7 23.1 -14.0 278 296 A R S < S- 0 0 9 -3,-0.9 -8,-0.2 -4,-0.4 -9,-0.1 -0.566 77.1-107.4 -74.9 139.5 27.3 24.9 -16.2 279 297 A I - 0 0 17 -10,-2.3 2,-0.1 -2,-0.3 -1,-0.1 -0.292 35.6-126.7 -56.9 141.0 27.9 23.6 -19.7 280 298 A T > - 0 0 56 1,-0.1 4,-2.7 -92,-0.0 5,-0.2 -0.439 22.9-107.3 -83.3 167.7 31.4 21.8 -20.0 281 299 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -148,-0.2 0.924 120.8 49.5 -62.8 -42.7 33.9 22.8 -22.7 282 300 A A H > S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.911 113.0 46.5 -65.3 -42.3 33.3 19.6 -24.7 283 301 A Q H >4 S+ 0 0 110 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.900 110.1 54.2 -60.5 -44.1 29.5 20.1 -24.5 284 302 A A H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 6,-0.2 0.886 100.5 59.3 -60.4 -38.9 29.9 23.7 -25.6 285 303 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 104.1 52.2 -58.5 -32.0 31.9 22.7 -28.7 286 304 A A T << S+ 0 0 68 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.469 86.3 120.3 -77.8 -5.5 28.8 20.7 -29.7 287 305 A H S X S- 0 0 24 -3,-1.9 3,-2.3 -4,-0.3 7,-0.2 -0.356 73.6-123.9 -68.9 142.0 26.6 23.8 -29.3 288 306 A A G > S+ 0 0 59 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.781 105.8 72.8 -62.7 -25.8 24.8 25.0 -32.4 289 307 A Y G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -27,-0.2 3,-0.3 0.783 100.8 47.0 -54.0 -27.9 26.3 28.5 -32.2 290 308 A F G X> S+ 0 0 0 -3,-2.3 3,-3.1 -6,-0.2 4,-3.1 0.219 73.1 121.5 -99.4 12.9 29.6 26.8 -33.4 291 309 A A T <4 S+ 0 0 62 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.832 74.2 53.8 -44.7 -39.4 28.1 24.7 -36.3 292 310 A Q T 34 S+ 0 0 152 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.621 122.2 25.7 -77.4 -10.6 30.4 26.4 -38.7 293 311 A Y T <4 S+ 0 0 66 -3,-3.1 -2,-0.2 -8,-0.1 -1,-0.2 0.679 88.3 110.5-120.6 -37.5 33.6 25.6 -36.8 294 312 A H < + 0 0 60 -4,-3.1 -8,-0.1 -7,-0.2 5,-0.1 -0.137 33.5 171.2 -41.5 127.9 33.0 22.4 -34.8 295 313 A D > - 0 0 67 1,-0.1 3,-2.6 3,-0.1 -1,-0.0 -0.760 20.5-160.3-143.5 104.1 34.8 19.4 -36.0 296 314 A P T 3 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.640 91.9 55.1 -61.8 -13.4 34.5 16.4 -33.6 297 315 A D T 3 S+ 0 0 151 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.312 108.4 49.1 -97.8 1.2 37.6 14.8 -35.2 298 316 A D S < S+ 0 0 79 -3,-2.6 -1,-0.2 1,-0.1 -3,-0.1 -0.184 81.0 90.4-134.0 42.4 39.8 17.8 -34.6 299 317 A E - 0 0 11 -3,-0.4 -1,-0.1 -5,-0.1 -14,-0.0 -0.632 68.0-165.8-127.2 71.8 39.2 18.7 -31.0 300 318 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.101 9.3-141.2 -69.8 153.9 42.1 16.6 -29.5 301 319 A V - 0 0 87 -164,-0.1 2,-0.2 -165,-0.1 -167,-0.1 -0.721 27.1 -95.5-110.0 167.1 42.5 15.7 -25.8 302 320 A A - 0 0 15 -168,-0.5 3,-0.1 -2,-0.3 -230,-0.1 -0.491 32.4-103.1 -85.6 154.9 45.7 15.5 -23.8 303 321 A D - 0 0 119 -232,-0.2 -1,-0.1 -2,-0.2 -232,-0.0 -0.285 62.4 -78.1 -58.7 149.7 47.9 12.6 -22.9 304 322 A P - 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.312 51.3-142.4 -59.5 140.4 47.4 11.5 -19.3 305 323 A Y - 0 0 25 -168,-0.2 2,-1.1 -3,-0.1 -237,-0.0 -0.914 1.4-140.2-115.4 117.7 49.2 13.9 -17.1 306 324 A D + 0 0 97 -2,-0.6 3,-0.4 1,-0.2 -168,-0.0 -0.575 30.4 164.7 -76.5 99.8 51.0 12.7 -14.0 307 325 A Q > + 0 0 54 -2,-1.1 3,-2.4 1,-0.2 4,-0.3 0.182 34.3 119.4-101.6 20.9 50.3 15.3 -11.3 308 326 A S G > + 0 0 47 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.847 63.7 72.6 -57.8 -28.0 51.3 13.1 -8.3 309 327 A F G > S+ 0 0 7 -3,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.781 81.5 74.7 -52.0 -25.6 54.0 15.7 -7.5 310 328 A E G < S+ 0 0 61 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.818 94.8 47.1 -62.9 -33.9 51.2 18.0 -6.3 311 329 A S G < S+ 0 0 102 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.456 94.9 103.6 -82.8 0.0 50.7 16.0 -3.1 312 330 A R < - 0 0 103 -3,-1.9 2,-0.6 -4,-0.3 -3,-0.0 -0.642 53.4-161.0 -94.6 139.9 54.5 15.9 -2.3 313 331 A D + 0 0 153 -2,-0.3 2,-0.2 -253,-0.0 -3,-0.0 -0.928 32.3 165.4-117.5 101.8 56.3 18.1 0.3 314 332 A L - 0 0 40 -2,-0.6 -254,-0.1 1,-0.1 2,-0.1 -0.652 39.1 -91.8-119.6 166.7 60.0 17.9 -0.8 315 333 A L >> - 0 0 96 -2,-0.2 4,-2.1 1,-0.1 3,-0.6 -0.363 40.3-108.9 -73.9 153.4 63.2 19.8 -0.0 316 334 A I H 3> S+ 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.923 119.1 48.4 -46.7 -48.7 64.3 22.8 -2.2 317 335 A D H 3> S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.715 107.2 55.6 -72.6 -24.9 67.2 20.8 -3.8 318 336 A E H <> S+ 0 0 78 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.924 111.1 43.9 -70.5 -45.5 64.9 17.9 -4.6 319 337 A W H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 115.4 51.5 -59.8 -40.9 62.5 20.2 -6.5 320 338 A K H X S+ 0 0 38 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.933 110.3 46.5 -64.9 -44.3 65.6 21.7 -8.0 321 339 A S H X S+ 0 0 41 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.853 112.6 49.8 -65.0 -37.6 67.0 18.4 -9.1 322 340 A L H X S+ 0 0 47 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.877 110.7 51.1 -64.1 -39.4 63.6 17.3 -10.5 323 341 A T H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.903 110.2 50.0 -68.2 -36.3 63.4 20.7 -12.4 324 342 A Y H X S+ 0 0 41 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.884 105.6 55.0 -72.6 -38.5 66.9 20.0 -13.8 325 343 A D H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.872 108.6 49.4 -55.0 -41.9 66.0 16.5 -14.9 326 344 A E H < S+ 0 0 41 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.799 106.9 54.3 -73.7 -31.4 63.1 17.9 -16.9 327 345 A V H >< S+ 0 0 15 -4,-1.5 3,-0.9 2,-0.2 -2,-0.2 0.955 112.3 46.2 -62.6 -42.1 65.3 20.6 -18.5 328 346 A I H 3< S+ 0 0 111 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.920 111.7 48.0 -66.7 -50.8 67.7 17.8 -19.7 329 347 A S T 3< S+ 0 0 66 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.408 82.9 126.5 -71.7 -2.1 65.0 15.4 -21.0 330 348 A F < - 0 0 33 -3,-0.9 -247,-0.1 -4,-0.4 -3,-0.0 -0.364 40.9-166.0 -64.2 139.7 63.2 18.2 -23.0 331 349 A V - 0 0 115 -261,-0.1 -2,-0.1 -2,-0.0 -1,-0.0 -0.987 19.6-129.2-126.7 117.0 62.7 17.4 -26.7 332 350 A P - 0 0 74 0, 0.0 -251,-0.1 0, 0.0 -250,-0.1 -0.295 30.6 -98.6 -66.9 150.5 61.8 20.4 -28.9 333 351 A P 0 0 65 0, 0.0 -260,-0.0 0, 0.0 -252,-0.0 -0.161 360.0 360.0 -62.3 162.5 58.8 20.1 -31.2 334 352 A P 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.214 360.0 360.0 -44.0 360.0 59.2 19.3 -35.0