==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-JUN-08 2VWI . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE OSR1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.VILLA,M.DEAK,D.R.ALESSI,D.M.F.VANAALTEN . 1054 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 703 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 83 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.0 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 2 3 1 4 3 6 3 0 1 0 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 4 0 5 1 3 5 4 2 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 . 0 0 4 4 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 13 A N 0 0 98 0, 0.0 49,-0.1 0, 0.0 47,-0.0 0.000 360.0 360.0 360.0 -51.9 103.1 174.5 -31.4 2 14 A R - 0 0 77 1,-0.1 2,-0.5 2,-0.0 48,-0.0 -0.065 360.0 -67.3 -65.2 169.3 100.4 177.3 -31.8 3 15 A D + 0 0 69 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 -0.922 65.8 137.3-111.7 122.2 97.2 176.8 -33.8 4 16 A D + 0 0 87 -2,-0.5 2,-0.4 17,-0.1 -1,-0.2 -0.991 51.6 125.6 66.8 6.9 97.4 176.4 -36.8 5 17 A Y - 0 0 56 17,-0.1 2,-0.8 15,-0.0 17,-0.1 -0.958 52.9-144.9-137.0 118.3 94.8 173.8 -35.9 6 18 A E E -A 21 0A 125 15,-1.2 15,-1.3 -2,-0.4 2,-0.5 -0.729 20.6-131.2 -86.6 110.2 91.4 173.6 -37.6 7 19 A L E +A 20 0A 121 -2,-0.8 13,-0.2 13,-0.2 3,-0.1 -0.453 43.0 161.5 -63.1 110.4 88.7 172.5 -35.1 8 20 A Q E - 0 0 76 11,-2.1 12,-0.1 -2,-0.5 -1,-0.1 0.045 38.4 -14.1-110.2-142.8 86.8 169.8 -36.8 9 21 A E E - 0 0 116 9,-0.1 10,-2.8 1,-0.1 2,-0.4 -0.224 61.7-115.2 -69.4 148.7 84.5 166.9 -35.8 10 22 A V E +A 18 0A 87 8,-0.2 8,-0.2 1,-0.1 -1,-0.1 -0.691 36.4 168.3 -81.8 132.0 84.0 165.7 -32.2 11 23 A I 0 0 98 6,-1.9 -1,-0.1 -2,-0.4 7,-0.1 0.956 360.0 360.0 -79.9 -55.1 85.2 162.1 -31.8 12 24 A G 0 0 60 5,-0.6 5,-0.6 -3,-0.1 6,-0.1 -0.642 360.0 360.0 149.7 360.0 85.0 162.4 -28.9 13 ! 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 14 28 A T 0 0 125 0, 0.0 17,-0.1 0, 0.0 16,-0.0 0.000 360.0 360.0 360.0 75.2 88.8 164.5 -18.2 15 29 A A - 0 0 65 15,-0.9 2,-0.2 1,-0.2 16,-0.1 0.335 360.0 -21.0-110.6-124.1 86.8 166.2 -21.0 16 30 A V - 0 0 49 -5,-0.0 14,-2.9 13,-0.0 2,-0.4 -0.497 36.6-149.4-103.3 158.9 86.5 166.1 -24.8 17 31 A V E - B 0 29A 48 -5,-0.6 -6,-1.9 12,-0.2 -5,-0.6 -0.995 19.3-171.5-124.9 131.8 88.5 164.8 -27.7 18 32 A Q E -AB 10 28A 26 10,-3.3 10,-3.3 -2,-0.4 -8,-0.2 -0.967 22.3-124.7-129.0 141.4 88.3 166.5 -31.2 19 33 A A E - B 0 27A 1 -10,-2.8 -11,-2.1 -2,-0.4 2,-0.3 -0.498 35.2-175.9 -73.3 148.4 89.6 165.7 -34.7 20 34 A A E -AB 7 26A 3 6,-3.0 6,-2.5 -13,-0.2 2,-0.7 -0.996 29.0-114.2-151.0 150.5 91.7 168.5 -36.3 21 35 A Y E AB 6 25A 33 -15,-1.3 -15,-1.2 -2,-0.3 4,-0.2 -0.792 360.0 360.0 -92.9 110.3 93.4 169.4 -39.6 22 36 A C 0 0 94 2,-4.1 -1,-0.1 -2,-0.7 3,-0.1 0.127 360.0 360.0 54.0 360.0 97.2 169.6 -39.3 23 ! 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 24 41 A E 0 0 96 0, 0.0 -2,-4.1 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 -34.7 97.5 166.2 -41.3 25 42 A K E +B 21 0A 53 -4,-0.2 37,-1.0 -3,-0.1 2,-0.3 -0.603 360.0 167.1 -70.0 109.3 94.7 164.1 -39.7 26 43 A V E -BC 20 61A 15 -6,-2.5 -6,-3.0 -2,-0.7 2,-0.5 -0.962 32.0-143.9-133.9 143.3 95.2 164.8 -36.0 27 44 A A E -BC 19 60A 7 33,-2.6 33,-2.9 -2,-0.3 2,-0.4 -0.917 15.9-167.8-106.9 131.4 93.3 164.2 -32.7 28 45 A I E -BC 18 59A 12 -10,-3.3 -10,-3.3 -2,-0.5 2,-0.5 -0.961 8.9-147.8-119.5 137.8 93.5 166.8 -29.9 29 46 A K E -BC 17 58A 5 29,-1.8 29,-1.3 -2,-0.4 2,-0.3 -0.910 7.6-144.9-109.8 123.2 92.3 166.2 -26.3 30 47 A R - 0 0 1 -14,-2.9 -15,-0.9 -2,-0.5 2,-0.4 -0.662 17.2-159.7 -82.9 137.8 90.8 169.0 -24.2 31 48 A I 0 0 36 25,-0.5 25,-1.1 -2,-0.3 -14,-0.0 -0.953 360.0 360.0-124.0 139.6 91.6 168.9 -20.4 32 49 A N 0 0 108 -2,-0.4 -1,-0.2 23,-0.2 -2,-0.0 0.984 360.0 360.0 -73.1 360.0 89.8 170.5 -17.5 33 ! 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 34 66 A A 0 0 132 0, 0.0 2,-0.3 0, 0.0 100,-0.0 0.000 360.0 360.0 360.0 -42.4 104.2 167.2 -17.9 35 67 A M + 0 0 70 99,-0.1 2,-0.2 2,-0.0 0, 0.0 -0.988 360.0 167.3-149.6 139.0 106.1 164.5 -19.8 36 68 A S + 0 0 47 -2,-0.3 10,-0.1 2,-0.1 98,-0.0 -0.772 10.1 176.2 80.1 48.6 105.5 161.8 -21.2 37 69 A Q + 0 0 177 -2,-0.2 8,-0.0 8,-0.0 -2,-0.0 0.423 43.3 124.6 -99.4 -5.2 108.8 161.2 -23.1 38 70 A C + 0 0 8 70,-0.1 2,-0.3 67,-0.0 8,-0.1 -0.279 33.0 173.8 -59.8 137.3 107.4 157.8 -24.2 39 71 A H + 0 0 148 6,-0.1 5,-0.1 65,-0.0 3,-0.0 -0.853 15.7 135.3-153.3 111.1 107.3 157.2 -28.0 40 72 A H > - 0 0 47 3,-0.4 3,-1.8 -2,-0.3 5,-0.2 -0.980 57.4-120.4-159.4 141.4 106.4 153.8 -29.5 41 73 A P T 3 S+ 0 0 96 0, 0.0 60,-0.1 0, 0.0 -1,-0.0 0.752 113.7 54.4 -60.2 -25.1 104.1 152.7 -32.4 42 74 A N T 3 S+ 0 0 8 87,-0.1 88,-2.3 58,-0.1 2,-0.4 0.245 103.3 67.1 -94.0 11.4 102.0 150.6 -29.9 43 75 A I B < S-e 130 0B 9 -3,-1.8 2,-0.9 86,-0.3 -3,-0.4 -0.997 79.0-128.8-133.2 136.7 101.3 153.6 -27.6 44 76 A V + 0 0 8 86,-2.5 89,-0.3 -2,-0.4 2,-0.3 -0.763 42.0 176.8 -81.2 106.0 99.3 156.8 -28.2 45 77 A S - 0 0 27 -2,-0.9 16,-0.5 -5,-0.2 2,-0.4 -0.790 32.0 -99.9-113.8 158.5 101.7 159.5 -27.2 46 78 A Y E -D 60 0A 38 -2,-0.3 14,-0.3 1,-0.2 3,-0.1 -0.616 18.5-165.4 -83.2 127.3 101.5 163.3 -27.3 47 79 A Y E S- 0 0 126 12,-3.0 2,-0.3 -2,-0.4 -1,-0.2 0.941 77.1 -14.6 -67.0 -52.6 103.1 165.2 -30.2 48 80 A T E -D 59 0A 56 11,-0.7 11,-2.1 -47,-0.0 2,-0.4 -0.952 56.8-148.1-147.5 162.3 102.8 168.5 -28.3 49 81 A S E +D 58 0A 65 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.965 26.9 157.6-139.3 122.8 101.0 170.1 -25.3 50 82 A F E -D 57 0A 42 7,-1.5 7,-2.8 -2,-0.4 2,-0.2 -0.944 33.7-113.3-141.6 162.4 99.9 173.7 -25.1 51 83 A V E +D 56 0A 117 -2,-0.3 5,-0.2 5,-0.2 -2,-0.0 -0.616 29.1 163.6 -96.9 153.4 97.3 176.0 -23.3 52 84 A V S S- 0 0 62 3,-1.8 2,-0.2 -2,-0.2 -1,-0.1 0.527 70.9 -30.6-126.2 -71.8 94.3 177.9 -24.8 53 85 A K S S- 0 0 78 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 -0.691 118.6 -35.0-160.8 99.5 91.8 179.1 -22.1 54 86 A D S S+ 0 0 95 -2,-0.2 2,-0.4 1,-0.2 -3,-0.0 0.543 121.4 102.4 56.0 8.8 91.4 177.0 -19.0 55 87 A E - 0 0 71 -25,-0.1 -3,-1.8 2,-0.0 2,-0.6 -0.958 64.2-148.7-123.3 138.8 92.0 174.1 -21.3 56 88 A L E - D 0 51A 80 -25,-1.1 -25,-0.5 -2,-0.4 2,-0.4 -0.930 19.4-148.9-105.2 113.4 95.1 172.0 -21.9 57 89 A W E - D 0 50A 34 -7,-2.8 -7,-1.5 -2,-0.6 2,-0.5 -0.686 8.7-164.7 -85.4 132.5 95.4 170.8 -25.5 58 90 A L E -CD 29 49A 12 -29,-1.3 -29,-1.8 -2,-0.4 2,-0.4 -0.924 8.0-153.3-120.8 104.9 97.0 167.4 -26.2 59 91 A V E +CD 28 48A 2 -11,-2.1 -12,-3.0 -2,-0.5 -11,-0.7 -0.637 29.0 153.7 -80.1 125.5 98.0 166.8 -29.8 60 92 A M E -CD 27 46A 8 -33,-2.9 -33,-2.6 -2,-0.4 -14,-0.1 -0.941 49.3 -72.9-145.3 166.4 98.1 163.1 -30.8 61 93 A K E -C 26 0A 81 -16,-0.5 2,-0.4 -2,-0.3 -35,-0.2 -0.392 47.9-124.2 -63.6 132.7 97.8 160.9 -33.8 62 94 A L - 0 0 38 -37,-1.0 2,-0.7 -2,-0.1 -1,-0.1 -0.681 19.6-158.2 -79.2 127.9 94.2 160.5 -35.0 63 95 A L > + 0 0 27 -2,-0.4 3,-0.8 1,-0.1 59,-0.2 -0.905 14.2 178.0-111.5 104.9 93.1 156.9 -35.3 64 96 A S T 3 + 0 0 91 -2,-0.7 59,-0.2 1,-0.2 -1,-0.1 0.528 69.7 78.6 -83.4 -7.4 90.1 156.5 -37.7 65 97 A G T 3 S- 0 0 38 57,-1.3 -1,-0.2 1,-0.3 58,-0.2 0.418 90.6-143.5 -82.0 1.2 89.9 152.7 -37.2 66 98 A G < - 0 0 24 -3,-0.8 56,-3.5 56,-0.3 -1,-0.3 -0.299 32.5 -50.7 71.6-155.4 88.1 153.1 -33.9 67 99 A S B > -F 121 0B 11 54,-0.3 4,-0.9 -3,-0.1 3,-0.4 -0.709 41.4-112.1-113.2 167.3 88.7 150.8 -30.9 68 100 A V H > S+ 0 0 0 52,-2.0 4,-2.1 49,-1.0 50,-0.2 0.819 118.0 62.6 -65.1 -31.7 88.7 147.0 -30.5 69 101 A L H > S+ 0 0 39 48,-1.3 4,-3.0 51,-0.2 -1,-0.2 0.849 96.0 59.5 -60.8 -35.7 85.6 147.4 -28.4 70 102 A D H > S+ 0 0 66 -3,-0.4 4,-1.5 47,-0.2 -1,-0.2 0.893 106.3 46.6 -58.4 -43.6 83.9 148.8 -31.5 71 103 A I H X S+ 0 0 69 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.920 113.4 49.2 -63.0 -46.4 84.6 145.5 -33.3 72 104 A I H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.909 109.1 52.4 -58.5 -46.4 83.3 143.5 -30.3 73 105 A K H X S+ 0 0 126 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.818 108.0 50.9 -62.9 -35.0 80.1 145.6 -30.1 74 106 A H H X S+ 0 0 114 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.921 113.2 45.4 -66.1 -46.0 79.3 145.0 -33.7 75 107 A I H <>S+ 0 0 20 -4,-2.0 5,-0.8 2,-0.2 6,-0.4 0.927 114.6 47.5 -62.0 -48.0 79.7 141.2 -33.3 76 108 A V H <5S+ 0 0 17 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 108.0 55.4 -65.0 -36.3 77.7 141.2 -30.0 77 109 A A H <5S+ 0 0 46 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.824 112.6 50.4 -65.5 -33.4 74.9 143.3 -31.6 78 110 A K T <5S- 0 0 116 -4,-1.4 3,-0.2 -3,-0.2 267,-0.1 -0.078 102.0-105.8 -83.2-166.9 74.7 140.6 -34.3 79 111 A G T > 5S+ 0 0 56 1,-0.1 3,-0.6 -2,-0.1 -3,-0.1 0.151 90.0 100.4-111.6 19.4 74.4 136.8 -33.6 80 112 A E T 3 < + 0 0 110 -5,-0.8 3,-0.3 1,-0.2 -1,-0.1 0.220 60.1 80.5 -93.5 14.8 78.0 135.8 -34.5 81 113 A H T > + 0 0 11 -6,-0.4 3,-0.9 -3,-0.2 -1,-0.2 0.152 61.7 103.6-100.2 17.4 79.2 135.6 -30.9 82 114 A K T < S+ 0 0 130 -3,-0.6 -1,-0.2 1,-0.2 3,-0.1 0.887 93.0 27.2 -61.4 -44.6 77.6 132.2 -30.5 83 115 A S T 3 S- 0 0 55 1,-0.5 126,-0.4 -3,-0.3 -1,-0.2 -0.062 139.0 -58.0-110.8 30.0 81.0 130.4 -30.8 84 116 A G < - 0 0 6 -3,-0.9 -1,-0.5 124,-0.1 92,-0.2 -0.298 47.0-107.8 111.7 161.8 83.1 133.3 -29.4 85 117 A V S S+ 0 0 12 90,-2.0 2,-0.3 1,-0.3 90,-0.2 0.901 93.4 21.7 -87.8 -83.7 83.7 136.9 -30.4 86 118 A L S S- 0 0 8 88,-2.1 -1,-0.3 1,-0.1 91,-0.0 -0.669 87.7-107.3 -89.5 142.3 87.2 137.4 -31.8 87 119 A D > - 0 0 98 -2,-0.3 4,-2.6 1,-0.1 3,-0.4 -0.316 27.4-116.4 -63.2 149.6 89.1 134.5 -33.4 88 120 A E H > S+ 0 0 65 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.787 117.3 52.8 -59.8 -31.4 92.1 133.1 -31.4 89 121 A S H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.842 109.9 47.3 -71.4 -37.8 94.4 134.2 -34.2 90 122 A T H > S+ 0 0 63 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.885 111.5 51.0 -70.9 -40.5 93.0 137.8 -34.1 91 123 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.913 109.1 51.5 -61.0 -44.0 93.3 137.9 -30.3 92 124 A A H X S+ 0 0 18 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.867 112.7 45.3 -61.5 -40.2 96.9 136.8 -30.5 93 125 A T H X S+ 0 0 85 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.920 116.1 44.0 -70.3 -48.4 97.8 139.5 -33.0 94 126 A I H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.927 115.8 46.8 -63.8 -47.7 96.0 142.4 -31.3 95 127 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.778 104.9 59.6 -71.3 -29.3 97.3 141.5 -27.8 96 128 A R H X S+ 0 0 109 -4,-1.3 4,-2.0 -5,-0.3 -1,-0.2 0.924 107.7 47.3 -60.8 -44.2 100.9 141.0 -28.8 97 129 A E H X S+ 0 0 61 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.915 113.3 47.6 -63.1 -45.2 100.9 144.6 -30.0 98 130 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.919 112.1 50.3 -59.3 -45.9 99.3 145.8 -26.8 99 131 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.807 108.1 51.7 -67.0 -33.1 101.8 143.8 -24.7 100 132 A E H X S+ 0 0 67 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.842 109.5 51.7 -70.2 -34.3 104.8 145.2 -26.6 101 133 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.873 112.2 45.4 -63.7 -40.1 103.3 148.7 -25.9 102 134 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.858 107.8 57.3 -73.2 -37.6 103.1 147.8 -22.2 103 135 A E H X S+ 0 0 48 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 108.9 47.1 -56.2 -44.2 106.6 146.3 -22.2 104 136 A Y H X S+ 0 0 58 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.924 112.7 48.1 -64.5 -48.3 107.9 149.7 -23.4 105 137 A L H ><>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 3,-0.7 0.904 112.5 48.6 -58.6 -44.6 106.0 151.7 -20.8 106 138 A H H ><5S+ 0 0 29 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.836 105.2 57.7 -68.7 -34.4 107.1 149.4 -18.0 107 139 A K H 3<5S+ 0 0 146 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.693 107.1 50.6 -65.5 -21.1 110.8 149.6 -19.1 108 140 A N T <<5S- 0 0 77 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.200 124.4-104.8-100.5 12.3 110.4 153.4 -18.7 109 141 A G T < 5S+ 0 0 67 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.700 79.0 132.1 73.4 22.2 109.0 153.0 -15.2 110 142 A Q < - 0 0 65 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.3 -0.683 44.2-154.8-105.7 157.2 105.4 153.8 -16.3 111 143 A I - 0 0 21 -2,-0.2 49,-0.1 1,-0.1 50,-0.0 -0.997 8.4-153.8-127.7 134.1 102.0 152.2 -15.7 112 144 A H - 0 0 2 -2,-0.4 -1,-0.1 48,-0.1 24,-0.1 0.943 18.2-169.0 -71.2 -49.9 99.2 152.5 -18.2 113 145 A R + 0 0 69 47,-0.1 -1,-0.1 1,-0.1 20,-0.0 0.215 68.8 60.4 82.3 -11.1 96.5 152.0 -15.5 114 146 A D + 0 0 73 17,-0.1 2,-0.5 5,-0.1 17,-0.2 -0.164 59.0 158.8-142.4 47.1 93.6 151.6 -18.0 115 147 A V + 0 0 8 15,-0.1 2,-0.3 3,-0.1 55,-0.1 -0.622 24.2 123.4 -77.4 122.8 94.1 148.6 -20.4 116 148 A K S > S- 0 0 79 -2,-0.5 3,-1.7 54,-0.1 4,-0.2 -0.943 75.1 -90.8-166.9 164.1 90.8 147.4 -21.9 117 149 A A G > S+ 0 0 0 1,-0.3 -48,-1.3 -2,-0.3 3,-1.2 0.813 123.4 59.6 -56.2 -34.2 89.3 146.9 -25.4 118 150 A G G 3 S+ 0 0 17 1,-0.2 -1,-0.3 -50,-0.2 -3,-0.1 0.740 106.7 48.0 -64.6 -24.7 88.0 150.4 -25.4 119 151 A N G < S+ 0 0 31 -3,-1.7 12,-3.0 -5,-0.1 2,-0.8 0.244 86.4 94.8-103.2 10.6 91.5 151.7 -25.0 120 152 A I E < - 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0 0 70 -3,-1.6 0, 0.0 1,-0.1 0, 0.0 -0.379 65.9-119.3 -70.0 136.7 100.8 146.7 10.2 148 194 A A >> - 0 0 34 -2,-0.1 4,-2.7 1,-0.1 3,-0.8 -0.402 28.6-114.4 -63.8 147.8 97.3 145.4 9.5 149 195 A P H 3> S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.870 118.2 55.3 -55.4 -38.6 96.9 144.0 6.0 150 196 A E H 3> S+ 0 0 129 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.790 110.5 45.4 -65.4 -30.2 94.5 146.8 5.2 151 197 A V H X> S+ 0 0 65 -3,-0.8 4,-1.5 2,-0.2 3,-0.6 0.897 109.5 56.3 -73.6 -44.0 97.1 149.4 6.2 152 198 A M H 3X S+ 0 0 75 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.818 98.5 61.3 -55.5 -37.4 99.8 147.5 4.2 153 199 A E H 3X S+ 0 0 124 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.885 106.2 45.3 -59.0 -42.6 97.7 147.8 1.0 154 200 A Q H << S+ 0 0 173 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.840 117.2 44.8 -68.9 -36.6 97.9 151.6 1.1 155 201 A V H < S+ 0 0 96 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.914 117.0 43.6 -74.7 -46.7 101.6 151.5 1.9 156 202 A R H < S+ 0 0 164 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.910 87.1 172.1 -64.3 -44.3 102.5 148.9 -0.7 157 203 A G < - 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0 0 68 -3,-0.9 5,-0.0 1,-0.1 0, 0.0 -0.410 66.1-118.6 -69.4 132.9 41.7 148.6 -64.2 415 194 B A > - 0 0 35 -2,-0.2 4,-2.3 1,-0.1 3,-0.4 -0.396 23.8-116.5 -66.6 145.2 44.6 146.7 -62.5 416 195 B P H > S+ 0 0 85 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.864 115.6 53.3 -53.2 -41.4 43.9 145.6 -58.8 417 196 B E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.879 109.5 49.2 -59.1 -41.4 46.8 147.8 -57.5 418 197 B V H > S+ 0 0 68 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.897 110.0 50.5 -66.4 -43.2 45.2 150.8 -59.3 419 198 B M H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.899 110.1 51.3 -57.6 -44.3 41.8 150.0 -57.8 420 199 B E H X S+ 0 0 93 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.866 111.0 48.0 -60.7 -39.2 43.4 149.8 -54.4 421 200 B Q H < S+ 0 0 167 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.826 111.4 48.8 -74.2 -34.7 45.0 153.2 -54.9 422 201 B V H < S+ 0 0 112 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.956 119.8 38.2 -67.2 -51.3 41.8 154.9 -56.1 423 202 B R H < S- 0 0 175 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.891 111.1-135.1 -62.4 -42.4 39.8 153.4 -53.1 424 203 B G < - 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0 0 38 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.276 54.7-104.3 -62.3 154.3 61.9 144.2 -38.6 447 226 B P T 3 S+ 0 0 6 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.796 120.9 40.1 -56.0 -35.4 62.4 141.3 -41.0 448 227 B Y T 3 S+ 0 0 16 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.045 76.6 128.0-101.4 25.4 64.3 143.4 -43.6 449 228 B H < + 0 0 82 -3,-2.0 -1,-0.2 1,-0.2 21,-0.1 0.723 64.8 62.3 -55.0 -29.8 66.3 145.4 -41.0 450 229 B K S S+ 0 0 141 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.986 93.4 68.9 -59.4 -60.4 69.6 144.6 -42.7 451 230 B Y S S- 0 0 112 -3,-0.3 5,-0.1 1,-0.1 3,-0.1 -0.183 96.6 -97.5 -63.2 149.0 68.8 146.4 -46.0 452 231 B P >> - 0 0 74 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.356 45.8 -93.1 -66.4 146.1 68.6 150.2 -46.1 453 232 B P T 34 S+ 0 0 116 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.341 114.4 35.2 -57.9 143.0 65.1 151.9 -45.9 454 233 B M T 3> S+ 0 0 168 -3,-0.1 4,-0.9 -2,-0.0 5,-0.0 -0.308 114.0 61.6 95.9 -41.6 63.6 152.6 -49.4 455 234 B K H <> S+ 0 0 127 -3,-1.2 4,-2.5 2,-0.2 5,-0.1 0.782 95.7 60.5 -77.0 -30.4 65.2 149.3 -50.6 456 235 B V H X S+ 0 0 39 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.769 99.5 57.4 -65.2 -27.2 63.1 147.5 -48.0 457 236 B L H > S+ 0 0 118 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.921 110.1 42.2 -66.3 -46.7 60.1 148.9 -49.9 458 237 B M H X S+ 0 0 39 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.879 114.3 52.1 -67.3 -39.8 61.3 147.3 -53.1 459 238 B L H X S+ 0 0 25 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.860 107.4 52.0 -64.4 -39.8 62.2 144.1 -51.3 460 239 B T H >< S+ 0 0 36 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.934 109.5 48.7 -62.5 -46.8 58.7 143.8 -49.7 461 240 B L H 3< S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.723 114.6 46.7 -67.6 -21.8 56.9 144.1 -53.0 462 241 B Q H 3< S+ 0 0 145 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.580 123.5 12.1 -94.3 -14.4 59.2 141.5 -54.6 463 242 B N S << S- 0 0 77 -4,-1.0 -3,-0.0 -3,-0.7 -4,-0.0 -0.429 70.3-112.3-138.7-153.2 59.0 138.8 -51.7 464 243 B D - 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0 0 30 -2,-0.3 4,-1.2 1,-0.1 -1,-0.1 0.099 20.2 -98.7 -75.3-176.5 61.7 122.5 -25.8 1033 262 D K H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.766 114.4 61.4 -78.7 -27.5 58.6 122.5 -23.6 1034 263 D S H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 27,-0.3 0.890 107.6 45.3 -65.8 -40.5 56.8 119.5 -25.3 1035 264 D F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.885 113.6 51.1 -66.5 -40.1 59.6 117.2 -24.3 1036 265 D R H X S+ 0 0 43 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.853 110.8 46.4 -68.1 -38.2 59.7 118.7 -20.8 1037 266 D K H X S+ 0 0 99 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.803 110.3 54.2 -75.5 -29.5 55.9 118.2 -20.3 1038 267 D M H X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.2 3,-0.3 0.943 110.7 47.1 -61.6 -50.1 56.2 114.6 -21.6 1039 268 D I H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.895 109.7 52.3 -57.3 -45.3 58.9 114.0 -19.0 1040 269 D S H < S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 104.2 57.7 -70.0 -23.6 56.8 115.6 -16.2 1041 270 D L H < S+ 0 0 64 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.916 112.8 40.3 -64.6 -45.6 53.9 113.3 -17.1 1042 271 D C H < S+ 0 0 0 -4,-1.5 2,-1.5 1,-0.2 -2,-0.2 0.884 107.7 65.6 -68.7 -41.9 56.1 110.3 -16.6 1043 272 D L < + 0 0 6 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.581 67.5 128.0 -93.5 75.1 57.8 111.6 -13.5 1044 273 D Q - 0 0 51 -2,-1.5 6,-0.1 -3,-0.2 -62,-0.1 -0.992 57.7-137.0-125.4 136.9 55.0 111.9 -10.9 1045 274 D K S S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.1 -63,-0.0 0.860 93.4 70.3 -60.3 -39.6 55.4 110.3 -7.4 1046 275 D D S >> S- 0 0 51 1,-0.1 3,-1.4 -3,-0.1 4,-0.6 -0.749 72.5-157.3 -82.6 111.9 51.8 109.0 -7.6 1047 276 D P T 34 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.731 91.2 64.4 -63.0 -23.9 51.8 106.1 -10.2 1048 277 D E T 34 S+ 0 0 155 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.749 99.3 53.7 -69.5 -24.8 48.0 106.6 -10.7 1049 278 D K T <4 S+ 0 0 130 -3,-1.4 -1,-0.2 2,-0.1 -4,-0.1 0.681 90.9 95.5 -80.7 -20.8 48.8 110.1 -12.1 1050 279 D R S < S- 0 0 29 -4,-0.6 -8,-0.2 -3,-0.4 2,-0.1 -0.459 78.3-120.3 -70.3 140.5 51.2 108.6 -14.6 1051 280 D P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.346 25.2-109.6 -73.8 162.3 49.9 107.9 -18.1 1052 281 D T > - 0 0 30 1,-0.1 4,-2.5 -2,-0.1 5,-0.1 -0.362 32.5-104.1 -79.6 169.5 49.9 104.5 -19.7 1053 282 D A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -139,-0.1 0.859 124.0 53.8 -62.9 -37.3 52.2 103.6 -22.7 1054 283 D A H 4 S+ 0 0 20 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.903 110.0 47.0 -62.5 -43.6 49.2 103.9 -25.0 1055 284 D E H >4 S+ 0 0 89 1,-0.2 3,-1.4 2,-0.2 -2,-0.2 0.922 110.1 52.6 -62.4 -48.3 48.4 107.4 -23.7 1056 285 D L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 6,-0.3 0.834 100.1 62.3 -57.9 -36.9 52.1 108.5 -24.0 1057 286 D L T 3< S+ 0 0 34 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.692 100.0 55.8 -63.2 -19.5 52.2 107.4 -27.6 1058 287 D R T < S+ 0 0 185 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.437 83.7 118.7 -91.2 -2.3 49.5 110.0 -28.4 1059 288 D H S X S- 0 0 32 -3,-1.7 3,-1.1 -4,-0.2 4,-0.1 -0.364 73.3-121.5 -70.9 145.5 51.6 112.9 -26.9 1060 289 D K G > S+ 0 0 138 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.805 105.1 66.6 -53.4 -38.9 52.7 115.8 -29.1 1061 290 D F G > S+ 0 0 0 -27,-0.3 3,-1.7 1,-0.3 -1,-0.2 0.830 89.9 63.4 -56.5 -37.2 56.4 115.2 -28.6 1062 291 D F G X S+ 0 0 6 -3,-1.1 3,-0.8 1,-0.3 -1,-0.3 0.423 81.1 80.6 -76.1 3.3 56.5 111.9 -30.4 1063 292 D Q G < S+ 0 0 151 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.599 78.7 71.9 -75.3 -14.0 55.5 113.6 -33.7 1064 293 D K G < S+ 0 0 80 -3,-1.7 -1,-0.2 -4,-0.2 -160,-0.2 0.553 71.8 119.9 -77.7 -9.1 59.2 114.5 -34.0 1065 294 D A < - 0 0 19 -3,-0.8 2,-0.1 -162,-0.2 -164,-0.1 -0.349 43.5-175.1 -60.2 131.7 59.9 110.8 -34.7 1066 295 D K - 0 0 121 -166,-0.5 -1,-0.1 1,-0.2 2,-0.1 -0.352 41.1 -47.3-111.0-168.7 61.6 110.3 -38.1 1067 296 D N S S- 0 0 143 -2,-0.1 2,-3.2 1,-0.1 -1,-0.2 -0.388 77.4 -87.9 -59.6 146.7 62.6 107.3 -40.3 1068 297 D K 0 0 69 1,-0.1 -1,-0.1 -3,-0.1 -167,-0.0 -0.046 360.0 360.0 -69.6 42.0 64.5 104.8 -38.1 1069 298 D E 0 0 193 -2,-3.2 -1,-0.1 0, 0.0 -2,-0.1 -0.677 360.0 360.0 152.1 360.0 68.0 106.5 -38.7