==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-APR-10 3MPT . COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.O.SOMERS . 347 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 66.0 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 . 43 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 . 3 0.9 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 . 29 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.1 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 3 1 1 2 0 0 1 0 1 1 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 1 2 1 1 1 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 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 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 4 A E 0 0 248 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 19.4 40.8 24.6 2 5 A R - 0 0 101 1,-0.1 89,-0.0 89,-0.0 2,-0.0 -0.331 360.0-153.6 -71.7 116.0 21.4 39.3 21.7 3 6 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.304 31.6 -96.1 -73.4 166.6 24.5 41.0 20.5 4 7 A T - 0 0 82 -2,-0.0 15,-2.5 1,-0.0 2,-0.3 -0.683 37.9-147.2 -84.8 136.3 25.7 40.5 16.9 5 8 A F E -A 18 0A 23 -2,-0.3 2,-0.3 13,-0.2 11,-0.0 -0.739 7.7-159.9-103.5 150.9 28.4 37.8 16.3 6 9 A Y E -A 17 0A 58 11,-2.3 11,-1.9 -2,-0.3 2,-0.3 -0.966 13.7-133.0-128.0 151.5 31.2 37.8 13.7 7 10 A R E +A 16 0A 152 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.699 27.2 159.5-106.6 151.2 33.1 34.8 12.4 8 11 A Q E -A 15 0A 58 7,-1.8 7,-3.3 -2,-0.3 2,-0.6 -0.932 39.2-112.0-164.4 145.5 36.8 34.2 11.8 9 12 A E E +A 14 0A 130 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.727 46.3 154.7 -85.3 122.6 39.1 31.2 11.4 10 13 A L E > +A 13 0A 22 3,-2.8 3,-2.6 -2,-0.6 -2,-0.1 -0.979 62.8 10.1-142.0 150.4 41.5 30.8 14.3 11 14 A N T 3 S- 0 0 67 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.857 129.1 -63.6 46.0 42.2 43.2 27.7 15.7 12 15 A K T 3 S+ 0 0 195 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.574 122.3 86.5 62.4 11.9 42.0 25.8 12.6 13 16 A T E < S-A 10 0A 51 -3,-2.6 -3,-2.8 -5,-0.1 2,-0.6 -0.911 86.1 -97.8-134.8 162.6 38.4 26.2 13.6 14 17 A I E -A 9 0A 66 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.727 33.1-160.2 -83.3 119.1 35.6 28.9 13.1 15 18 A W E -A 8 0A 0 -7,-3.3 -7,-1.8 -2,-0.6 2,-0.5 -0.895 5.3-170.3 -98.9 132.4 35.3 31.2 16.1 16 19 A E E +A 7 0A 47 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.0 -0.948 20.9 159.7-124.0 103.8 32.0 33.1 16.3 17 20 A V E -A 6 0A 1 -11,-1.9 -11,-2.3 -2,-0.5 -2,-0.0 -0.875 43.7 -86.5-129.5 156.5 32.1 35.8 19.0 18 21 A P E > -A 5 0A 2 0, 0.0 3,-2.1 0, 0.0 -13,-0.2 -0.315 42.1-111.7 -64.4 148.1 30.2 39.0 19.9 19 22 A E T 3 S+ 0 0 108 -15,-2.5 22,-0.1 1,-0.3 -14,-0.1 0.758 110.8 72.9 -44.8 -39.8 31.3 42.2 18.3 20 23 A R T 3 S+ 0 0 39 -16,-0.2 21,-2.7 20,-0.1 2,-0.5 0.820 84.5 78.8 -50.0 -35.7 32.6 43.6 21.6 21 24 A Y E < +B 40 0B 1 -3,-2.1 2,-0.3 19,-0.2 19,-0.2 -0.699 65.1 168.9 -81.9 120.5 35.5 41.1 21.4 22 25 A Q E +B 39 0B 72 17,-2.0 17,-3.4 -2,-0.5 -2,-0.0 -0.910 47.0 28.4-133.8 155.6 38.3 42.3 19.0 23 26 A N E - 0 0 129 -2,-0.3 2,-0.3 15,-0.2 -1,-0.2 0.903 69.8-167.0 61.9 48.0 41.8 41.4 18.1 24 27 A L E - 0 0 14 -3,-0.2 14,-0.2 14,-0.1 -1,-0.2 -0.516 8.6-179.9 -68.9 126.5 41.5 37.7 18.9 25 28 A S E -B 37 0B 66 12,-2.4 12,-3.0 -2,-0.3 -15,-0.0 -0.991 29.8-117.8-132.7 120.2 45.0 36.2 19.1 26 29 A P E +B 36 0B 53 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.299 30.8 176.2 -55.1 134.4 45.6 32.5 19.8 27 30 A V - 0 0 79 8,-2.7 9,-0.1 1,-0.2 21,-0.0 0.123 53.8 -81.2-128.9 20.8 47.6 32.0 23.0 28 31 A G - 0 0 45 7,-0.5 -1,-0.2 2,-0.0 7,-0.1 0.240 59.8 -64.4 89.5 144.4 47.7 28.2 23.3 29 32 A S - 0 0 101 5,-0.2 5,-0.3 1,-0.1 2,-0.1 -0.197 44.1-170.5 -69.9 148.8 45.0 25.8 24.8 30 33 A G B > -C 33 0B 37 3,-2.8 3,-1.2 1,-0.1 2,-0.7 -0.224 56.5 -20.6-112.5-155.2 43.8 25.7 28.4 31 34 A A T 3 S- 0 0 18 1,-0.2 -1,-0.1 -2,-0.1 134,-0.1 -0.436 130.0 -21.8 -63.7 105.5 41.6 23.2 30.3 32 35 A Y T 3 S+ 0 0 83 -2,-0.7 21,-2.2 20,-0.1 2,-0.2 0.656 127.6 36.8 69.2 25.6 39.5 21.3 27.6 33 36 A G E < S-CD 30 52B 8 -3,-1.2 -3,-2.8 19,-0.2 19,-0.2 -0.905 85.6 -74.8 173.6 163.8 39.8 23.9 24.7 34 37 A S E - D 0 51B 29 17,-0.7 17,-2.1 -5,-0.3 2,-0.4 -0.387 41.8-147.9 -68.0 142.9 41.8 26.6 22.7 35 38 A V E - D 0 50B 20 15,-0.2 -8,-2.7 -2,-0.1 -7,-0.5 -0.921 11.9-171.0-118.1 138.8 42.3 30.0 24.2 36 39 A C E -BD 26 49B 0 13,-2.8 13,-3.6 -2,-0.4 2,-0.3 -0.978 20.9-132.0-120.9 143.3 42.5 33.4 22.5 37 40 A A E +BD 25 48B 21 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.3 -0.655 36.2 174.1 -79.3 148.6 43.5 36.8 24.0 38 41 A A E - D 0 47B 6 9,-2.2 9,-3.6 -2,-0.3 2,-0.6 -0.976 35.9-118.4-151.5 159.7 41.0 39.5 23.0 39 42 A F E -BD 22 46B 84 -17,-3.4 -17,-2.0 -2,-0.3 2,-1.0 -0.921 25.2-145.5-101.6 119.8 40.3 43.1 23.8 40 43 A D E >>> -BD 21 45B 2 5,-3.0 4,-2.9 -2,-0.6 3,-0.6 -0.780 11.8-168.3 -87.0 105.3 36.8 43.5 25.3 41 44 A T T 345S+ 0 0 74 -21,-2.7 -1,-0.2 -2,-1.0 -20,-0.1 0.671 82.7 59.2 -69.5 -17.0 35.7 46.9 23.9 42 45 A K T 345S+ 0 0 129 -22,-0.1 -1,-0.2 1,-0.1 -21,-0.1 0.812 123.6 18.0 -82.0 -29.2 32.7 47.0 26.3 43 46 A T T <45S- 0 0 77 -3,-0.6 -2,-0.2 2,-0.2 -1,-0.1 0.559 96.1-124.5-115.3 -15.2 34.9 46.8 29.5 44 47 A G T <5 + 0 0 46 -4,-2.9 2,-0.2 1,-0.3 -3,-0.2 0.541 64.8 138.4 79.4 9.2 38.3 47.8 28.2 45 48 A L E < -D 40 0B 57 -5,-0.5 -5,-3.0 -6,-0.0 2,-0.5 -0.581 60.0-125.1 -88.9 145.6 39.8 44.6 29.6 46 49 A R E -D 39 0B 170 -2,-0.2 59,-1.6 -7,-0.2 2,-0.3 -0.784 47.1-170.9 -78.7 125.4 42.4 42.3 28.0 47 50 A V E -DE 38 104B 0 -9,-3.6 -9,-2.2 -2,-0.5 2,-0.5 -0.874 29.9-131.9-128.3 159.9 40.5 39.0 28.2 48 51 A A E -DE 37 103B 11 55,-3.4 55,-2.3 -2,-0.3 2,-0.5 -0.925 21.6-165.3-105.5 126.7 41.0 35.3 27.6 49 52 A V E -DE 36 102B 1 -13,-3.6 -13,-2.8 -2,-0.5 2,-0.5 -0.972 3.4-166.0-113.6 118.4 38.3 33.7 25.5 50 53 A K E -DE 35 101B 23 51,-3.0 51,-2.6 -2,-0.5 2,-0.6 -0.916 7.6-156.5-105.9 124.4 38.2 29.9 25.6 51 54 A K E -DE 34 100B 17 -17,-2.1 -17,-0.7 -2,-0.5 49,-0.2 -0.902 26.9-124.0 -96.7 118.7 36.2 27.9 23.0 52 55 A L E -D 33 0B 5 47,-2.6 2,-0.6 -2,-0.6 47,-0.3 -0.429 19.2-125.1 -68.5 131.8 35.3 24.5 24.5 53 56 A S S S- 0 0 55 -21,-2.2 -1,-0.1 1,-0.3 45,-0.0 -0.701 78.6 -31.4 -80.0 112.8 36.4 21.6 22.4 54 57 A R S > S- 0 0 164 -2,-0.6 3,-0.9 1,-0.1 -1,-0.3 0.919 74.0-173.8 40.6 73.3 33.4 19.3 21.5 55 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.4 0, 0.0 11,-0.2 0.727 76.7 35.0 -72.9 -19.6 31.6 20.1 24.8 56 59 A F T 3 S+ 0 0 24 41,-0.3 -2,-0.1 1,-0.1 278,-0.1 -0.008 78.5 113.1-125.5 32.8 28.8 17.5 24.3 57 60 A Q S < S+ 0 0 112 -3,-0.9 2,-0.2 2,-0.0 -1,-0.1 0.836 88.2 5.2 -70.6 -38.7 30.6 14.6 22.5 58 61 A S S > S- 0 0 37 -4,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.817 79.2-103.0-137.2 173.8 30.2 12.2 25.4 59 62 A I H > S+ 0 0 88 -2,-0.2 4,-3.0 2,-0.2 5,-0.3 0.955 124.2 52.4 -64.4 -47.2 28.5 12.1 28.9 60 63 A I H > S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.860 113.3 43.3 -54.8 -43.4 31.9 12.7 30.4 61 64 A H H > S+ 0 0 33 2,-0.2 4,-2.1 1,-0.1 -1,-0.2 0.940 113.4 51.2 -66.7 -49.9 32.5 15.7 28.2 62 65 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.913 112.0 46.4 -55.6 -46.5 28.9 17.1 28.7 63 66 A K H X S+ 0 0 42 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.808 111.5 50.5 -70.3 -30.4 29.1 16.9 32.5 64 67 A R H X S+ 0 0 47 -4,-1.2 4,-2.8 -5,-0.3 -1,-0.2 0.798 108.5 52.3 -79.4 -29.1 32.6 18.5 32.6 65 68 A T H X S+ 0 0 4 -4,-2.1 4,-2.4 -10,-0.4 5,-0.2 0.961 112.9 45.6 -62.1 -52.8 31.4 21.4 30.4 66 69 A Y H X S+ 0 0 12 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.931 114.4 49.7 -54.4 -50.6 28.5 21.8 32.9 67 70 A R H X S+ 0 0 44 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.911 110.0 47.9 -56.1 -47.9 31.0 21.5 35.8 68 71 A E H X S+ 0 0 10 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.945 114.1 47.8 -63.1 -43.3 33.4 24.0 34.5 69 72 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.942 111.7 49.3 -60.0 -51.3 30.6 26.5 33.8 70 73 A R H X S+ 0 0 38 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.932 113.9 47.4 -52.6 -48.6 29.0 26.0 37.3 71 74 A L H X S+ 0 0 3 -4,-2.6 4,-1.4 1,-0.2 3,-0.5 0.941 113.7 45.2 -59.9 -51.6 32.5 26.5 38.9 72 75 A L H < S+ 0 0 12 -4,-2.9 11,-1.1 1,-0.2 -1,-0.2 0.843 110.9 55.0 -64.6 -35.1 33.4 29.6 37.0 73 76 A K H < S+ 0 0 43 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.787 109.8 47.9 -66.3 -29.5 29.9 31.1 37.5 74 77 A H H < S+ 0 0 37 -4,-1.4 2,-0.5 -3,-0.5 243,-0.3 0.784 87.9 94.2 -82.1 -29.4 30.2 30.7 41.3 75 78 A M < + 0 0 3 -4,-1.4 8,-0.4 6,-0.2 2,-0.3 -0.541 36.6 157.1 -80.8 117.2 33.7 32.2 41.8 76 79 A K + 0 0 169 -2,-0.5 2,-0.3 6,-0.1 5,-0.1 -0.686 29.4 115.9-138.0 79.7 33.7 35.8 42.8 77 80 A H B > -G 80 0C 17 3,-0.6 3,-1.7 -2,-0.3 5,-0.1 -0.991 68.5-120.8-148.1 145.4 36.9 36.7 44.6 78 81 A E T 3 S+ 0 0 123 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.807 114.4 44.4 -55.7 -31.7 39.8 39.0 43.8 79 82 A N T 3 S+ 0 0 6 83,-0.1 84,-1.9 2,-0.1 2,-0.4 0.108 104.1 72.7-104.9 18.5 42.2 36.1 43.9 80 83 A V B < S-Gh 77 163C 1 -3,-1.7 -3,-0.6 82,-0.3 2,-0.3 -1.000 87.8-110.2-133.4 134.3 40.2 33.5 41.9 81 84 A I - 0 0 8 82,-2.6 2,-0.2 -2,-0.4 -6,-0.2 -0.453 43.0-170.8 -63.5 120.7 39.5 33.6 38.2 82 85 A G - 0 0 15 -2,-0.3 2,-0.6 -4,-0.1 22,-0.4 -0.553 29.6 -93.5-104.6 176.0 35.8 34.4 37.7 83 86 A L + 0 0 13 -11,-1.1 20,-0.2 -8,-0.4 3,-0.1 -0.819 32.6 179.1 -95.4 119.4 33.6 34.4 34.6 84 87 A L S S- 0 0 23 18,-3.0 2,-0.3 -2,-0.6 19,-0.2 0.812 72.4 -13.7 -83.3 -30.9 33.4 37.7 32.8 85 88 A D E -F 102 0B 24 17,-1.6 17,-2.9 261,-0.1 -1,-0.4 -0.979 52.4-162.8-165.9 148.8 31.1 36.4 30.1 86 89 A V E +F 101 0B 7 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.983 24.9 166.0-137.9 138.2 29.8 33.2 28.7 87 90 A F E -F 100 0B 13 13,-2.1 13,-2.3 -2,-0.3 255,-0.1 -0.979 24.4-164.9-150.4 161.2 28.2 32.9 25.3 88 91 A T - 0 0 14 -2,-0.3 11,-0.1 11,-0.2 8,-0.1 -0.981 23.3-140.3-139.6 144.2 27.0 30.8 22.4 89 92 A P S S+ 0 0 21 0, 0.0 -84,-0.1 0, 0.0 7,-0.1 0.729 72.9 110.6 -75.6 -16.9 26.1 31.8 18.9 90 93 A A - 0 0 13 8,-0.2 -2,-0.2 1,-0.1 6,-0.1 -0.255 58.7-155.4 -61.0 138.8 23.1 29.3 19.0 91 94 A R S S+ 0 0 173 1,-0.1 2,-0.3 -89,-0.0 -1,-0.1 0.539 75.3 12.0 -94.6 -8.5 19.7 31.0 19.1 92 95 A S S > S- 0 0 38 1,-0.1 3,-0.7 0, 0.0 4,-0.5 -0.957 83.3 -97.2-157.0 169.2 18.0 28.0 20.8 93 96 A L G > S+ 0 0 52 -2,-0.3 3,-0.9 1,-0.2 -1,-0.1 0.830 117.6 65.3 -57.7 -37.3 18.8 24.7 22.6 94 97 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.2 -3,-0.0 -4,-0.0 0.855 111.9 32.9 -58.2 -38.4 18.2 22.8 19.3 95 98 A E G < S+ 0 0 92 -3,-0.7 2,-0.4 -6,-0.0 -1,-0.3 0.356 87.3 125.0-103.6 6.3 21.2 24.5 17.8 96 99 A F < + 0 0 0 -3,-0.9 3,-0.1 -4,-0.5 242,-0.1 -0.531 19.0 129.1 -66.7 116.9 23.3 24.8 21.0 97 100 A N + 0 0 91 -2,-0.4 2,-0.4 1,-0.3 -41,-0.3 0.429 55.1 58.4-145.0 -11.5 26.7 23.1 20.3 98 101 A D - 0 0 52 -44,-0.1 2,-0.4 -43,-0.1 -1,-0.3 -0.980 53.9-164.2-132.7 142.0 29.5 25.5 21.3 99 102 A V - 0 0 0 -2,-0.4 -47,-2.6 -47,-0.3 2,-0.5 -0.988 3.9-166.7-125.9 130.4 30.4 27.2 24.6 100 103 A Y E -EF 51 87B 1 -13,-2.3 -13,-2.1 -2,-0.4 2,-0.4 -0.972 4.4-162.3-120.8 131.3 32.7 30.2 24.9 101 104 A L E -EF 50 86B 4 -51,-2.6 -51,-3.0 -2,-0.5 2,-0.4 -0.921 3.1-161.2-113.9 135.5 34.1 31.3 28.3 102 105 A V E +EF 49 85B 0 -17,-2.9 -18,-3.0 -2,-0.4 -17,-1.6 -0.974 20.5 152.8-123.4 125.5 35.6 34.7 28.9 103 106 A T E -E 48 0B 23 -55,-2.3 -55,-3.4 -2,-0.4 -20,-0.1 -0.878 49.4 -67.5-139.4 170.9 37.9 35.7 31.9 104 107 A H E -E 47 0B 57 -22,-0.4 2,-0.5 -2,-0.3 -57,-0.2 -0.313 40.7-146.0 -57.0 143.0 40.7 38.1 32.8 105 108 A L - 0 0 63 -59,-1.6 2,-0.2 -67,-0.1 -59,-0.2 -0.981 16.2-161.4-114.3 118.6 44.0 37.6 31.0 106 109 A M - 0 0 24 -2,-0.5 50,-0.2 1,-0.1 49,-0.1 -0.609 31.8-104.8 -96.9 161.4 46.9 38.4 33.2 107 110 A G S S- 0 0 54 -2,-0.2 2,-0.3 1,-0.1 49,-0.2 0.844 87.6 -28.1 -52.1 -37.8 50.4 39.1 31.9 108 111 A A E -I 155 0C 29 47,-1.8 47,-3.2 3,-0.0 2,-0.2 -0.960 61.4 -95.2-163.7 175.8 51.8 35.7 32.9 109 112 A D E >> -I 154 0C 41 -2,-0.3 4,-1.0 45,-0.3 3,-1.0 -0.559 44.7-100.4-100.3 175.8 51.8 32.7 35.2 110 113 A L H 3> S+ 0 0 0 43,-1.7 4,-3.0 40,-1.5 3,-0.4 0.861 117.4 68.9 -66.1 -34.4 53.9 32.1 38.3 111 114 A N H 3> S+ 0 0 43 39,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.832 100.7 48.0 -45.1 -41.0 56.2 29.9 36.3 112 115 A N H <> S+ 0 0 77 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.792 112.8 46.8 -75.7 -32.8 57.4 32.9 34.4 113 116 A I H X S+ 0 0 21 -4,-1.0 4,-1.5 -3,-0.4 -2,-0.2 0.963 110.3 52.4 -71.0 -52.4 58.0 34.9 37.6 114 117 A V H < S+ 0 0 20 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.795 120.5 34.8 -52.0 -38.2 59.8 32.1 39.4 115 118 A K H < S+ 0 0 166 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.895 118.9 49.4 -80.8 -44.6 62.2 31.7 36.4 116 119 A C H < S+ 0 0 98 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.398 111.7 18.1 -90.3 -1.6 62.5 35.4 35.3 117 120 A Q S < S- 0 0 103 -4,-1.5 2,-0.3 -5,-0.0 -1,-0.0 -0.980 77.3 -96.8-157.6 159.9 63.3 37.5 38.5 118 121 A K - 0 0 187 -2,-0.3 2,-0.6 1,-0.0 -3,-0.1 -0.588 36.4-136.1 -78.5 136.8 64.6 37.2 42.1 119 122 A L - 0 0 24 -2,-0.3 2,-0.1 93,-0.3 -1,-0.0 -0.834 10.2-151.3-100.1 117.1 62.0 37.0 44.8 120 123 A T > - 0 0 70 -2,-0.6 4,-1.6 1,-0.1 3,-0.4 -0.355 34.6-105.9 -70.3 161.6 62.4 39.1 47.9 121 124 A D H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.872 124.3 56.8 -57.4 -36.7 60.8 37.7 51.2 122 125 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.827 103.6 51.6 -63.0 -37.0 58.2 40.5 50.7 123 126 A H H > S+ 0 0 65 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.815 110.3 49.9 -67.5 -34.8 57.3 39.1 47.2 124 127 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 5,-0.4 0.887 110.5 50.0 -70.6 -41.8 56.9 35.7 48.8 125 128 A Q H X S+ 0 0 23 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.989 113.3 45.2 -57.1 -58.2 54.6 37.1 51.5 126 129 A F H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.884 116.4 45.1 -54.1 -50.4 52.4 38.9 49.0 127 130 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.961 118.0 40.9 -62.7 -53.1 52.2 36.0 46.6 128 131 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.912 112.4 57.1 -65.0 -38.6 51.5 33.2 49.2 129 132 A Y H X S+ 0 0 16 -4,-3.4 4,-1.8 -5,-0.4 -1,-0.2 0.958 109.2 47.1 -50.8 -50.8 49.1 35.6 51.1 130 133 A Q H X S+ 0 0 11 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.2 0.819 110.7 49.5 -64.0 -37.4 47.2 35.9 47.9 131 134 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.894 112.9 47.6 -68.1 -40.5 47.0 32.2 47.2 132 135 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.818 109.7 53.7 -69.8 -28.9 45.9 31.4 50.8 133 136 A R H X S+ 0 0 13 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.890 113.0 41.8 -71.8 -45.3 43.2 34.2 50.6 134 137 A G H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.895 115.0 53.3 -66.1 -41.8 41.7 32.7 47.4 135 138 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.872 104.4 53.4 -63.2 -37.0 42.1 29.2 48.8 136 139 A K H X S+ 0 0 45 -4,-2.2 4,-1.3 2,-0.2 180,-0.3 0.948 112.6 46.8 -60.4 -40.5 40.2 30.1 52.0 137 140 A Y H X S+ 0 0 11 -4,-1.4 4,-0.7 2,-0.2 179,-0.6 0.952 113.4 46.1 -62.5 -54.8 37.5 31.3 49.7 138 141 A I H ><>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 3,-1.4 0.936 113.9 49.0 -54.7 -51.4 37.5 28.2 47.5 139 142 A H H ><5S+ 0 0 13 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.745 101.8 62.7 -62.0 -25.8 37.5 25.8 50.4 140 143 A S H 3<5S+ 0 0 47 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.673 101.4 52.0 -77.8 -16.9 34.7 27.6 52.1 141 144 A A T <<5S- 0 0 2 -3,-1.4 -1,-0.3 -4,-0.7 178,-0.2 0.202 122.3-111.5 -95.2 10.3 32.5 26.7 49.2 142 145 A D T < 5S+ 0 0 117 -3,-1.4 2,-0.4 1,-0.3 -3,-0.2 0.842 73.6 137.9 58.0 36.3 33.6 23.0 49.7 143 146 A I < - 0 0 2 -5,-1.6 2,-0.4 -72,-0.0 -1,-0.3 -0.857 40.1-154.7-106.9 147.1 35.6 23.0 46.5 144 147 A I - 0 0 27 -2,-0.4 23,-1.1 1,-0.2 54,-0.1 -0.942 8.9-154.7-116.2 140.4 39.1 21.5 46.3 145 148 A H + 0 0 1 -2,-0.4 23,-0.7 21,-0.2 22,-0.2 0.970 18.2 179.2 -74.4 -57.5 41.6 22.6 43.7 146 149 A R S S+ 0 0 65 52,-0.1 40,-0.1 21,-0.1 -1,-0.1 0.093 71.3 58.7 78.0 -17.0 43.6 19.3 43.6 147 150 A D + 0 0 27 18,-0.1 2,-0.4 38,-0.1 -1,-0.1 -0.124 65.2 154.2-136.8 39.3 46.0 20.7 40.9 148 151 A L + 0 0 2 36,-0.1 60,-0.1 3,-0.1 17,-0.1 -0.586 17.5 134.2 -76.5 124.2 47.6 23.8 42.4 149 152 A K > - 0 0 16 -2,-0.4 3,-2.3 58,-0.0 -39,-0.2 -0.940 69.9 -86.3-161.1 164.3 51.0 24.5 40.9 150 153 A P G > S+ 0 0 3 0, 0.0 3,-1.6 0, 0.0 -40,-1.5 0.827 123.5 59.2 -55.5 -33.2 52.7 27.7 39.5 151 154 A S G 3 S+ 0 0 46 1,-0.3 -3,-0.1 -41,-0.2 -39,-0.0 0.625 101.2 57.1 -70.4 -12.1 51.2 27.3 36.0 152 155 A N G < S+ 0 0 7 -3,-2.3 12,-2.5 -5,-0.1 2,-0.6 0.145 91.6 88.0 -98.3 14.2 47.7 27.5 37.6 153 156 A L E < - J 0 163C 0 -3,-1.6 -43,-1.7 10,-0.2 2,-0.5 -0.946 64.7-158.2-118.4 113.8 48.6 30.9 39.1 154 157 A A E -IJ 109 162C 8 8,-3.3 8,-3.1 -2,-0.6 2,-0.4 -0.737 14.8-175.8 -89.7 126.7 47.9 33.9 37.0 155 158 A V E -IJ 108 161C 2 -47,-3.2 -47,-1.8 -2,-0.5 6,-0.2 -0.951 8.3-148.6-126.0 140.7 50.0 37.0 38.0 156 159 A N > - 0 0 29 4,-2.4 3,-3.0 -2,-0.4 4,-0.1 -0.577 40.6 -81.7-104.0 172.2 49.9 40.5 36.7 157 160 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.0 -2,-0.2 -51,-0.0 0.734 129.8 45.2 -28.6 -39.6 52.3 43.4 36.2 158 161 A D T 3 S- 0 0 118 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.051 120.8-101.1-104.5 25.3 51.8 44.3 40.0 159 162 A C S < S+ 0 0 21 -3,-3.0 2,-0.4 1,-0.2 -2,-0.1 0.677 72.0 150.5 62.6 18.6 52.2 40.8 41.5 160 163 A E - 0 0 98 -4,-0.1 -4,-2.4 -30,-0.0 2,-0.4 -0.712 32.6-151.9 -80.2 133.9 48.4 40.5 41.9 161 164 A L E - J 0 155C 2 -2,-0.4 2,-0.4 -6,-0.2 -6,-0.2 -0.878 21.7-171.7-124.5 137.0 47.5 36.9 41.6 162 165 A K E - J 0 154C 34 -8,-3.1 -8,-3.3 -2,-0.4 2,-0.3 -0.991 22.1-133.2-124.1 134.9 44.5 34.8 40.5 163 166 A I E -hJ 80 153C 0 -84,-1.9 -82,-2.6 -2,-0.4 2,-0.3 -0.683 27.3-168.0 -81.7 139.4 44.1 31.0 40.9 164 167 A L + 0 0 41 -12,-2.5 -82,-0.0 -2,-0.3 -12,-0.0 -0.860 53.0 27.9-127.1 159.5 42.9 29.0 37.8 165 168 A D S > S+ 0 0 48 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.769 70.5 169.8 63.9 35.0 41.6 25.5 37.0 166 169 A F T 3 + 0 0 4 1,-0.2 -21,-0.2 -3,-0.1 -1,-0.2 -0.394 57.3 13.0 -73.7 152.7 40.1 24.6 40.4 167 170 A G T 3 0 0 5 -23,-1.1 -1,-0.2 -22,-0.2 -22,-0.1 0.759 360.0 360.0 53.1 37.2 37.9 21.5 40.9 168 171 A L < 0 0 63 -23,-0.7 -2,-0.1 -3,-0.6 -1,-0.1 0.690 360.0 360.0-114.5 360.0 38.7 19.7 37.6 169 ! 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 0.0 170 174 A H 0 0 112 0, 0.0 2,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 156.5 45.1 14.2 34.6 171 175 A T >> - 0 0 78 1,-0.1 4,-1.1 5,-0.0 3,-1.0 -0.372 360.0-112.9 -68.9 150.1 45.8 11.0 32.7 172 176 A D G >4 S+ 0 0 143 1,-0.3 3,-0.6 2,-0.2 -1,-0.1 0.863 121.8 54.9 -49.7 -37.4 48.2 8.4 34.3 173 177 A D G >4 S+ 0 0 131 1,-0.2 3,-1.1 2,-0.2 -1,-0.3 0.814 102.3 55.0 -65.1 -35.6 50.5 9.2 31.5 174 178 A E G <4 S+ 0 0 94 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.657 107.9 51.1 -72.9 -16.6 50.4 12.9 32.3 175 179 A M G << S+ 0 0 13 -4,-1.1 2,-0.3 -3,-0.6 -1,-0.2 0.336 91.3 109.0 -97.8 7.8 51.5 12.0 35.9 176 180 A T S < S- 0 0 80 -3,-1.1 2,-0.1 -5,-0.2 47,-0.1 -0.662 71.5 -20.0 -97.9 135.8 54.5 9.9 34.7 177 181 A G S S- 0 0 19 -2,-0.3 2,-1.9 1,-0.1 5,-0.1 -0.355 113.3 -6.3 84.9-154.9 58.2 10.7 35.1 178 182 A Y S S+ 0 0 142 44,-0.1 2,-0.4 -2,-0.1 44,-0.2 -0.579 91.0 140.5 -85.7 78.1 60.1 13.9 35.6 179 183 A V >> - 0 0 43 -2,-1.9 3,-2.1 42,-0.4 4,-0.7 -0.986 57.9-144.1-134.1 130.3 57.0 16.2 35.3 180 184 A A H 3> S+ 0 0 42 -2,-0.4 4,-0.6 1,-0.3 3,-0.1 0.741 96.0 79.8 -58.4 -25.4 55.8 19.3 37.1 181 185 A T H 34 S+ 0 0 37 1,-0.2 -1,-0.3 -7,-0.2 -6,-0.1 0.742 108.1 27.6 -57.2 -18.7 52.2 18.0 36.7 182 186 A R H X4 S+ 0 0 1 -3,-2.1 3,-1.5 39,-0.1 -1,-0.2 0.562 95.5 88.2-117.6 -13.3 53.1 15.8 39.7 183 187 A W H 3< S+ 0 0 28 -4,-0.7 36,-0.2 1,-0.3 -2,-0.1 0.697 93.8 45.2 -64.2 -20.9 55.8 17.7 41.8 184 188 A Y T 3< S+ 0 0 12 -4,-0.6 -1,-0.3 34,-0.1 2,-0.2 0.285 86.7 118.9-105.0 7.6 53.2 19.7 43.8 185 189 A R < - 0 0 44 -3,-1.5 -38,-0.1 1,-0.1 16,-0.1 -0.522 69.0-113.5 -82.6 139.3 50.9 16.8 44.6 186 190 A A >> - 0 0 1 -2,-0.2 4,-2.7 14,-0.1 3,-1.0 -0.437 27.1-122.5 -66.8 141.8 50.1 15.6 48.2 187 191 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.887 110.0 57.3 -56.4 -36.4 51.6 12.1 48.8 188 192 A E H 34>S+ 0 0 2 1,-0.2 5,-2.0 2,-0.2 6,-0.7 0.783 113.8 37.9 -65.6 -31.4 48.1 10.8 49.7 189 193 A I H <45S+ 0 0 10 -3,-1.0 3,-0.5 3,-0.2 -1,-0.2 0.805 113.6 57.3 -85.8 -32.4 46.6 11.8 46.4 190 194 A M H <5S+ 0 0 13 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.1 0.849 124.2 22.1 -67.4 -37.0 49.8 10.9 44.5 191 195 A L T <5S- 0 0 42 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.060 106.6-118.9-119.1 20.5 49.8 7.3 45.7 192 196 A N T 5 + 0 0 118 -3,-0.5 -3,-0.2 -5,-0.1 59,-0.2 0.882 52.4 159.7 40.5 61.9 46.0 7.0 46.6 193 197 A W < - 0 0 3 -5,-2.0 55,-1.3 1,-0.2 54,-0.8 0.808 59.4 -22.0 -78.0 -32.5 46.5 6.3 50.3 194 198 A M S S- 0 0 35 -6,-0.7 2,-0.5 52,-0.2 -1,-0.2 -0.936 86.7 -53.4-161.8 176.1 43.1 7.4 51.3 195 199 A H - 0 0 178 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 -0.612 66.1-148.3 -62.3 116.3 39.9 9.4 50.8 196 200 A Y + 0 0 68 -2,-0.5 2,-0.2 -8,-0.1 -1,-0.0 -0.638 20.7 179.9 -98.0 155.5 41.3 12.8 50.2 197 201 A N > - 0 0 60 -2,-0.2 3,-1.8 -51,-0.0 4,-0.2 -0.580 51.6 -60.5-134.1-161.8 40.0 16.3 51.1 198 202 A Q T >> S+ 0 0 58 1,-0.3 3,-2.1 -2,-0.2 4,-0.5 0.701 113.4 80.7 -67.0 -20.5 40.9 20.0 50.8 199 203 A T H >> S+ 0 0 25 1,-0.3 4,-1.3 2,-0.2 3,-0.7 0.784 76.5 73.5 -57.3 -27.9 44.0 19.6 52.9 200 204 A V H <> S+ 0 0 3 -3,-1.8 4,-1.2 1,-0.2 -1,-0.3 0.819 91.8 58.9 -51.9 -31.2 45.8 18.3 49.8 201 205 A D H <> S+ 0 0 0 -3,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.843 97.8 55.9 -69.7 -39.4 45.8 21.9 48.6 202 206 A I H S- 0 0 68 -47,-0.1 4,-2.8 -46,-0.1 5,-0.2 -0.928 90.4 -78.4-168.0 179.1 58.8 9.3 39.1 224 228 A H H > S+ 0 0 53 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.868 128.1 43.9 -57.6 -46.6 56.2 8.6 41.9 225 229 A I H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 113.3 49.8 -67.6 -48.5 58.6 6.5 44.0 226 230 A D H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.953 114.3 46.7 -53.2 -49.0 61.5 8.8 43.6 227 231 A Q H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.851 107.5 56.0 -61.6 -37.1 59.3 11.7 44.6 228 232 A L H X S+ 0 0 0 -4,-2.0 4,-3.2 -5,-0.2 -1,-0.2 0.961 109.4 47.4 -61.4 -45.9 57.9 9.8 47.6 229 233 A K H X S+ 0 0 108 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.888 109.2 53.0 -61.0 -41.6 61.5 9.3 48.8 230 234 A L H X S+ 0 0 51 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.940 113.7 44.6 -57.1 -46.5 62.3 13.0 48.3 231 235 A I H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.942 113.4 47.8 -61.7 -53.0 59.2 13.8 50.4 232 236 A L H X S+ 0 0 1 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.812 105.9 58.6 -64.8 -32.2 59.9 11.3 53.2 233 237 A R H < S+ 0 0 148 -4,-2.2 31,-0.2 -5,-0.2 -1,-0.2 0.940 115.7 36.9 -58.3 -48.4 63.6 12.3 53.5 234 238 A L H < S+ 0 0 9 -4,-1.4 30,-2.0 -5,-0.2 -2,-0.2 0.922 130.9 26.1 -71.7 -49.0 62.3 15.9 54.3 235 239 A V H < S- 0 0 19 -4,-3.0 28,-0.3 28,-0.2 52,-0.2 0.591 109.4-116.0 -99.0 -6.2 59.2 15.2 56.4 236 240 A G < - 0 0 3 -4,-2.2 -1,-0.2 -5,-0.4 -3,-0.1 0.062 37.6 -64.4 88.1 154.7 60.1 11.8 57.8 237 241 A T - 0 0 24 24,-1.6 26,-0.1 1,-0.1 50,-0.1 -0.370 69.5 -85.4 -68.8 153.2 58.5 8.4 57.3 238 242 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.322 41.4-133.1 -65.5 144.6 54.9 8.1 58.6 239 243 A G >> - 0 0 42 -3,-0.1 4,-1.9 1,-0.0 3,-0.5 -0.221 35.6 -86.8 -85.2-179.1 54.3 7.2 62.3 240 244 A A H 3> S+ 0 0 82 1,-0.2 4,-1.3 2,-0.2 -1,-0.0 0.873 124.5 56.6 -59.2 -40.2 51.9 4.6 63.7 241 245 A E H 3> S+ 0 0 97 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.849 109.2 43.7 -63.0 -37.4 49.0 6.9 63.8 242 246 A L H X> S+ 0 0 9 -3,-0.5 3,-1.1 1,-0.2 4,-0.9 0.874 104.3 64.4 -77.5 -37.2 49.2 7.9 60.0 243 247 A L H >< S+ 0 0 33 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.856 98.8 55.1 -51.7 -39.3 49.7 4.3 58.9 244 248 A K H 3< S+ 0 0 163 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.792 105.0 53.0 -64.7 -29.6 46.2 3.4 60.2 245 249 A K H << S+ 0 0 54 -3,-1.1 2,-1.6 -4,-0.5 -1,-0.2 0.614 83.1 91.4 -85.3 -16.0 44.7 6.2 58.1 246 250 A I << - 0 0 0 -4,-0.9 -52,-0.2 -3,-0.6 6,-0.1 -0.707 58.9-178.3 -77.2 92.8 46.3 4.8 55.0 247 251 A S + 0 0 82 -2,-1.6 2,-0.9 -54,-0.8 -1,-0.2 0.488 55.9 94.5 -79.5 -3.8 43.3 2.6 54.2 248 252 A S > - 0 0 36 -55,-1.3 4,-2.8 1,-0.2 5,-0.2 -0.822 61.0-166.6 -84.1 109.1 45.0 1.2 51.1 249 253 A E H > S+ 0 0 136 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.883 86.7 55.1 -65.3 -35.3 46.5 -1.9 52.6 250 254 A S H > S+ 0 0 96 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.892 113.2 39.4 -61.0 -47.4 48.7 -2.3 49.5 251 255 A A H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.854 113.0 56.1 -72.0 -40.1 50.2 1.2 49.8 252 256 A R H X S+ 0 0 53 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.916 108.0 49.6 -58.7 -43.5 50.4 0.9 53.6 253 257 A N H < S+ 0 0 110 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.898 109.9 49.4 -61.6 -46.4 52.5 -2.2 53.1 254 258 A Y H >< S+ 0 0 74 -4,-1.6 3,-1.9 1,-0.2 4,-0.2 0.948 109.5 52.6 -57.4 -51.1 54.9 -0.6 50.6 255 259 A I H >< S+ 0 0 7 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.913 104.1 57.5 -48.9 -47.0 55.4 2.4 53.0 256 260 A Q T 3< S+ 0 0 108 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.584 92.5 69.4 -65.7 -11.7 56.3 0.1 55.8 257 261 A S T < S+ 0 0 83 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.3 0.503 82.8 92.7 -84.0 -3.7 59.1 -1.4 53.7 258 262 A L S < S- 0 0 40 -3,-1.9 2,-0.1 -4,-0.2 3,-0.1 -0.674 87.7-104.1 -95.9 145.8 61.2 1.8 53.9 259 263 A T - 0 0 126 -2,-0.3 -22,-0.1 1,-0.1 -1,-0.1 -0.445 47.9-104.7 -62.8 132.8 63.8 2.4 56.6 260 264 A Q - 0 0 159 -2,-0.1 -1,-0.1 -4,-0.1 -21,-0.0 -0.326 41.6-170.9 -64.3 141.7 62.4 4.9 59.1 261 265 A M - 0 0 65 -29,-0.1 -24,-1.6 -3,-0.1 2,-0.1 -0.999 17.4-125.1-134.0 140.6 63.6 8.4 58.9 262 266 A P - 0 0 109 0, 0.0 -26,-0.3 0, 0.0 2,-0.2 -0.381 38.8 -91.1 -76.8 162.0 63.2 11.5 61.1 263 267 A K - 0 0 105 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.521 49.2-123.7 -66.0 132.8 61.8 14.9 60.0 264 268 A M - 0 0 65 -30,-2.0 2,-0.7 -31,-0.2 -1,-0.1 -0.389 26.8 -94.8 -78.6 161.2 64.7 17.0 59.0 265 269 A N >> - 0 0 91 1,-0.2 3,-1.0 -2,-0.1 4,-0.6 -0.686 30.5-157.3 -76.2 113.8 65.5 20.4 60.4 266 270 A F H 3> S+ 0 0 2 -2,-0.7 4,-3.3 1,-0.3 3,-0.3 0.769 89.2 65.6 -65.8 -26.5 63.8 22.9 58.1 267 271 A A H 34 S+ 0 0 49 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.800 106.8 42.4 -65.4 -28.1 66.2 25.7 59.3 268 272 A N H <4 S+ 0 0 110 -3,-1.0 3,-0.3 1,-0.1 -1,-0.2 0.548 115.6 48.7 -92.0 -11.2 69.1 23.8 57.7 269 273 A V H < S+ 0 0 52 -4,-0.6 2,-0.7 -3,-0.3 -2,-0.2 0.830 117.1 40.9 -89.0 -44.0 67.1 22.9 54.6 270 274 A F S >< S- 0 0 10 -4,-3.3 3,-1.2 -5,-0.1 -1,-0.2 -0.544 86.3-169.4-103.8 65.5 65.9 26.5 54.0 271 275 A I T 3 + 0 0 132 -2,-0.7 -3,-0.1 -3,-0.3 3,-0.1 -0.338 69.8 8.6 -65.9 126.7 69.2 28.4 54.9 272 276 A G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -5,-0.3 -4,-0.1 -0.019 93.0 138.0 95.5 -28.7 68.8 32.1 55.2 273 277 A A < - 0 0 27 -3,-1.2 -1,-0.3 -6,-0.1 -3,-0.1 -0.127 68.6 -91.0 -52.2 144.2 65.0 32.0 54.9 274 278 A N > - 0 0 46 1,-0.1 4,-2.1 -3,-0.1 3,-0.5 -0.323 35.5-128.8 -49.0 132.2 62.9 34.2 57.3 275 279 A P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.779 109.2 56.9 -62.4 -28.6 62.2 32.1 60.4 276 280 A L H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.847 106.9 49.5 -68.8 -33.7 58.5 32.9 60.2 277 281 A A H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.933 109.4 50.6 -71.2 -45.8 58.6 31.4 56.7 278 282 A V H X S+ 0 0 14 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.962 110.7 50.8 -52.3 -54.2 60.4 28.3 57.9 279 283 A D H X S+ 0 0 51 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.890 110.2 48.4 -49.8 -48.9 57.7 27.9 60.6 280 284 A L H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.908 108.7 54.4 -63.1 -41.0 54.9 28.2 58.1 281 285 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.2 0.898 106.5 51.3 -59.3 -38.5 56.5 25.7 55.8 282 286 A E H < S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.9 50.9 -68.3 -29.4 56.7 23.1 58.7 283 287 A K H < S+ 0 0 92 -4,-1.4 10,-2.5 -5,-0.2 3,-0.2 0.737 117.0 38.6 -80.3 -24.7 53.0 23.7 59.3 284 288 A M H < S+ 0 0 0 -4,-1.5 2,-1.2 -3,-0.2 -2,-0.2 0.826 108.4 61.4 -88.0 -39.3 52.0 23.2 55.7 285 289 A L < + 0 0 4 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.374 69.9 136.0 -92.6 54.6 54.4 20.3 54.8 286 290 A V - 0 0 41 -2,-1.2 6,-0.1 -3,-0.2 5,-0.0 -0.875 51.8-143.2-103.1 135.4 53.0 17.7 57.4 287 291 A L S S+ 0 0 15 -2,-0.4 2,-0.9 -52,-0.2 -99,-0.2 0.892 87.6 74.5 -70.3 -40.9 52.6 14.2 56.1 288 292 A D S > S- 0 0 13 1,-0.2 3,-1.8 -3,-0.1 4,-0.3 -0.669 73.4-157.2 -73.3 105.8 49.4 13.6 58.1 289 293 A S G > S+ 0 0 8 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.770 87.8 66.3 -57.8 -34.3 46.9 15.7 56.2 290 294 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.725 104.1 47.0 -52.6 -30.1 44.6 15.9 59.3 291 295 A K G < S+ 0 0 120 -3,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.359 82.7 114.1-103.6 2.8 47.4 18.0 60.9 292 296 A R S < S- 0 0 7 -3,-1.1 -8,-0.2 -4,-0.3 -9,-0.1 -0.496 76.1-101.4 -71.3 148.2 48.3 20.6 58.2 293 297 A I - 0 0 20 -10,-2.5 2,-0.2 -13,-0.2 -1,-0.1 -0.297 39.7-127.7 -58.9 146.1 47.5 24.2 58.8 294 298 A T > - 0 0 44 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.498 19.1-109.6 -92.7 169.5 44.3 25.4 57.0 295 299 A A H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.967 120.6 50.9 -63.0 -51.9 44.1 28.4 54.7 296 300 A A H > S+ 0 0 52 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.911 114.7 44.5 -48.4 -45.2 42.0 30.3 57.2 297 301 A Q H 4 S+ 0 0 110 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.840 109.9 54.6 -70.7 -36.6 44.6 29.5 59.9 298 302 A A H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 6,-0.3 0.827 98.1 62.2 -68.5 -33.3 47.5 30.3 57.7 299 303 A L H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.790 103.1 52.6 -64.3 -26.7 46.3 33.8 56.9 300 304 A A T 3< S+ 0 0 66 -4,-0.6 2,-0.3 -3,-0.5 -1,-0.3 0.276 84.5 115.9 -90.3 8.6 46.5 34.6 60.6 301 305 A H S X S- 0 0 20 -3,-2.0 3,-2.6 1,-0.1 7,-0.1 -0.632 78.0-116.6 -81.3 137.9 50.2 33.4 60.8 302 306 A A G > S+ 0 0 57 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.682 108.2 74.2 -43.8 -30.5 52.8 36.1 61.7 303 307 A Y G 3 S+ 0 0 3 1,-0.3 3,-0.3 -27,-0.3 -1,-0.3 0.831 101.1 43.8 -56.7 -32.4 54.5 35.8 58.3 304 308 A F G X> S+ 0 0 0 -3,-2.6 4,-3.6 -6,-0.3 3,-1.9 0.180 74.9 118.2 -98.8 16.1 51.5 37.7 56.8 305 309 A A T <4 S+ 0 0 73 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.864 74.7 56.6 -48.8 -40.1 51.2 40.4 59.5 306 310 A Q T 34 S+ 0 0 161 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.765 122.8 22.8 -64.9 -26.5 51.9 43.0 56.8 307 311 A Y T <4 S+ 0 0 66 -3,-1.9 -2,-0.2 -8,-0.1 -1,-0.2 0.658 91.1 114.6-114.5 -25.8 49.0 41.9 54.6 308 312 A H < + 0 0 59 -4,-3.6 -8,-0.1 -7,-0.1 5,-0.1 -0.216 28.9 165.1 -56.4 131.8 46.5 40.1 56.9 309 313 A D > - 0 0 68 3,-0.1 3,-2.1 1,-0.1 -9,-0.0 -0.795 24.4-159.1-148.5 105.0 43.2 41.7 57.4 310 314 A P G > S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.686 92.7 54.9 -61.5 -19.4 40.5 39.6 59.0 311 315 A D G 3 S+ 0 0 151 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.419 108.2 48.4 -93.4 0.8 37.7 41.9 57.5 312 316 A D G < S+ 0 0 81 -3,-2.1 -1,-0.2 1,-0.1 -3,-0.1 -0.197 84.4 89.0-133.9 48.3 38.9 41.6 54.0 313 317 A E < - 0 0 11 -3,-0.5 -1,-0.1 -5,-0.1 -14,-0.0 -0.608 69.2-162.3-136.6 73.5 39.4 37.8 53.6 314 318 A P - 0 0 59 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.123 11.8-136.5 -71.8 152.9 35.9 36.8 52.4 315 319 A V - 0 0 93 1,-0.1 -178,-0.2 -175,-0.1 2,-0.1 -0.567 28.6-104.3 -95.5 164.4 34.1 33.4 52.3 316 320 A A - 0 0 14 -179,-0.6 3,-0.1 -180,-0.3 -1,-0.1 -0.475 27.4-108.0 -88.8 159.4 32.1 32.0 49.5 317 321 A D - 0 0 121 -243,-0.3 -1,-0.1 1,-0.2 2,-0.0 -0.422 62.7 -71.4 -70.4 161.2 28.4 31.7 49.1 318 322 A P - 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.343 47.2-147.1 -61.2 137.9 27.2 28.1 49.3 319 323 A Y - 0 0 21 -178,-0.2 2,-0.8 -179,-0.1 -248,-0.0 -0.931 3.5-152.9-113.4 110.7 28.1 25.8 46.4 320 324 A D + 0 0 97 -2,-0.6 3,-0.2 1,-0.1 -179,-0.0 -0.727 25.8 161.9 -81.6 107.8 25.7 23.1 45.5 321 325 A Q > + 0 0 56 -2,-0.8 3,-2.0 1,-0.1 4,-0.4 -0.088 31.8 124.4-117.8 35.2 27.5 20.3 43.8 322 326 A S G > + 0 0 56 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.751 66.5 72.5 -60.9 -23.7 24.8 17.6 44.3 323 327 A F G > S+ 0 0 1 1,-0.2 3,-1.6 -3,-0.2 -1,-0.3 0.709 78.7 75.5 -61.7 -23.7 25.1 17.3 40.5 324 328 A E G < S+ 0 0 53 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.905 100.2 40.5 -57.5 -41.4 28.4 15.6 40.9 325 329 A S G < S+ 0 0 110 -3,-0.8 2,-0.4 -4,-0.4 -1,-0.3 0.159 95.0 111.2 -95.6 21.3 26.8 12.3 42.0 326 330 A R < - 0 0 95 -3,-1.6 2,-0.7 2,-0.0 -3,-0.0 -0.786 58.7-144.8-100.3 134.8 23.9 12.6 39.5 327 331 A D + 0 0 163 -2,-0.4 2,-0.3 0, 0.0 -2,-0.1 -0.878 35.1 157.0 -99.0 109.1 23.6 10.2 36.5 328 332 A L - 0 0 36 -2,-0.7 2,-0.1 -269,-0.0 -265,-0.1 -0.836 39.3-109.2-127.6 162.3 22.1 12.0 33.5 329 333 A L >> - 0 0 114 -2,-0.3 4,-2.2 1,-0.1 3,-0.5 -0.389 38.6-101.6 -83.6 165.2 22.1 11.5 29.7 330 334 A I H 3> S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.934 122.4 52.6 -51.9 -51.1 24.1 13.8 27.2 331 335 A D H 3> S+ 0 0 120 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.780 109.5 50.9 -60.7 -28.7 21.0 15.8 26.2 332 336 A E H <> S+ 0 0 88 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.910 110.1 45.9 -77.1 -45.5 20.2 16.5 30.0 333 337 A W H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.839 114.4 53.1 -58.5 -32.6 23.7 17.8 30.9 334 338 A K H X S+ 0 0 28 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.906 108.4 46.5 -72.1 -40.9 23.4 19.8 27.7 335 339 A S H X S+ 0 0 39 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.934 112.4 51.1 -67.2 -48.3 20.1 21.3 28.6 336 340 A L H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.906 109.7 50.3 -49.8 -48.0 21.4 22.1 32.1 337 341 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.946 109.2 52.3 -58.7 -48.1 24.5 23.8 30.5 338 342 A Y H X S+ 0 0 32 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.929 106.1 52.0 -52.9 -51.4 22.2 25.9 28.3 339 343 A D H X S+ 0 0 86 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.889 109.3 51.8 -53.5 -39.8 20.1 27.1 31.2 340 344 A E H < S+ 0 0 43 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 111.7 45.9 -68.3 -36.1 23.4 28.2 32.9 341 345 A V H >< S+ 0 0 12 -4,-2.0 3,-1.1 -3,-0.2 -2,-0.2 0.899 113.4 49.3 -66.5 -50.4 24.6 30.1 29.8 342 346 A I H 3< S+ 0 0 105 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.5 48.3 -57.8 -44.1 21.2 31.8 29.2 343 347 A S T 3< S+ 0 0 69 -4,-2.1 2,-0.3 -5,-0.3 -1,-0.2 0.249 80.2 131.7 -88.2 13.4 20.8 33.0 32.8 344 348 A F < - 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