==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 10-JUL-12 4G16 . COMPND 2 MOLECULE: CASEIN KINASE I ISOFORM GAMMA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.HUANG. . 302 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14931.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 20 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 0 1 0 0 0 2 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 3 0 1 0 2 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 1 0 0 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 33 A G 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.0 64.0 -23.4 35.4 2 34 A S - 0 0 84 2,-0.2 3,-0.1 1,-0.0 0, 0.0 0.869 360.0-150.0 -86.1 -40.4 60.5 -23.1 36.6 3 35 A G + 0 0 85 1,-0.3 2,-0.5 0, 0.0 -1,-0.0 0.563 58.7 119.3 80.8 4.3 58.8 -24.1 33.4 4 36 A V - 0 0 75 8,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.908 61.4-133.7-112.1 136.1 55.9 -21.9 34.4 5 37 A L - 0 0 63 -2,-0.5 8,-2.5 8,-0.3 2,-0.3 -0.687 23.7-176.0 -86.8 128.2 54.7 -18.9 32.5 6 38 A M E -A 12 0A 65 -2,-0.4 2,-0.5 6,-0.2 6,-0.2 -0.904 15.0-153.4-122.9 150.5 54.0 -15.8 34.4 7 39 A V E > -A 11 0A 0 4,-2.5 4,-1.8 -2,-0.3 3,-0.4 -0.996 68.5 -30.1-124.6 121.9 52.6 -12.6 33.1 8 40 A G T 4 S- 0 0 31 67,-0.6 64,-0.0 -2,-0.5 66,-0.0 -0.312 109.0 -45.7 68.6-153.4 53.6 -9.5 35.1 9 41 A P T 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.766 134.4 18.4 -85.6 -27.3 54.4 -10.0 38.8 10 42 A N T 4 S+ 0 0 22 -3,-0.4 21,-2.9 21,-0.0 2,-0.8 0.453 89.5 104.7-128.6 -0.0 51.3 -12.1 39.8 11 43 A F E < -AB 7 30A 6 -4,-1.8 -4,-2.5 19,-0.2 2,-0.3 -0.765 47.4-159.7 -97.7 111.1 49.6 -13.8 36.9 12 44 A R E -AB 6 29A 105 17,-2.4 17,-2.1 -2,-0.8 2,-0.5 -0.659 21.4-130.9 -81.2 134.6 50.2 -17.5 36.4 13 45 A V E - B 0 28A 21 -8,-2.5 -8,-0.3 -2,-0.3 15,-0.2 -0.800 32.3-173.4 -90.9 125.6 49.3 -18.5 32.8 14 46 A G E - 0 0 28 13,-3.3 14,-0.1 -2,-0.5 3,-0.1 -0.132 32.7 -42.3-106.0-160.9 47.1 -21.5 32.5 15 47 A K E - 0 0 126 11,-0.2 12,-3.2 1,-0.1 2,-0.4 -0.106 66.1-103.8 -57.5 156.7 45.5 -23.9 30.1 16 48 A K E - B 0 26A 117 10,-0.3 10,-0.3 -3,-0.1 2,-0.2 -0.738 44.6-165.0 -89.8 145.4 44.3 -22.4 26.9 17 49 A I + 0 0 20 8,-1.6 8,-0.3 -2,-0.4 6,-0.2 -0.696 36.2 34.7-122.6 171.1 40.5 -22.1 26.8 18 50 A G S S- 0 0 70 -2,-0.2 2,-0.3 3,-0.1 7,-0.1 -0.055 83.0 -70.3 74.9 178.0 37.7 -21.5 24.4 19 51 A C S S+ 0 0 126 2,-0.1 2,-0.7 3,-0.0 -2,-0.1 -0.781 99.9 9.9-109.4 153.9 37.4 -22.5 20.7 20 52 A G S S+ 0 0 71 -2,-0.3 2,-1.5 1,-0.1 3,-0.2 -0.752 84.3 103.8 84.4-118.9 39.4 -21.2 17.8 21 53 A N S S- 0 0 65 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 -0.156 70.8-141.6 44.3 -79.7 42.2 -19.1 19.2 22 54 A F S S- 0 0 204 -2,-1.5 -1,-0.2 3,-0.1 -3,-0.0 0.684 82.0 -30.8 94.3 28.6 44.9 -21.7 18.7 23 55 A G S S+ 0 0 7 -3,-0.2 -2,-0.1 -6,-0.2 -1,-0.1 0.306 113.6 114.4 112.6 -4.1 46.6 -20.8 21.9 24 56 A E S S+ 0 0 53 1,-0.1 17,-2.8 16,-0.1 2,-0.5 0.701 72.1 46.9 -74.0 -21.0 45.6 -17.1 21.9 25 57 A L E + C 0 40A 44 -8,-0.3 -8,-1.6 15,-0.2 2,-0.3 -0.979 68.3 173.0-128.1 128.7 43.4 -17.3 24.9 26 58 A R E -BC 16 39A 35 13,-2.4 13,-2.5 -2,-0.5 -10,-0.3 -0.925 34.4-111.7-132.0 151.8 44.3 -18.9 28.2 27 59 A L E - C 0 38A 16 -12,-3.2 -13,-3.3 -2,-0.3 2,-0.3 -0.535 41.8-173.9 -76.1 150.1 43.0 -19.2 31.7 28 60 A G E -BC 13 37A 1 9,-2.5 9,-3.1 -15,-0.2 2,-0.4 -0.956 17.6-143.2-143.8 162.3 45.0 -17.4 34.2 29 61 A K E -BC 12 36A 35 -17,-2.1 -17,-2.4 -2,-0.3 2,-1.1 -0.994 13.8-138.6-132.7 131.6 45.2 -16.9 38.0 30 62 A N E >> -BC 11 35A 15 5,-3.7 4,-2.6 -2,-0.4 5,-1.1 -0.785 19.6-165.4 -85.0 103.6 46.1 -13.8 40.0 31 63 A L T 45S+ 0 0 79 -21,-2.9 -1,-0.2 -2,-1.1 -20,-0.1 0.758 84.4 55.7 -63.0 -26.3 48.2 -15.5 42.6 32 64 A Y T 45S+ 0 0 177 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.838 122.2 25.2 -75.9 -33.7 48.1 -12.4 44.8 33 65 A T T 45S- 0 0 66 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.560 98.2-127.4-106.2 -14.1 44.3 -12.3 44.9 34 66 A N T <5 + 0 0 115 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.892 65.5 131.7 67.5 38.4 43.5 -15.9 44.3 35 67 A E E < -C 30 0A 99 -5,-1.1 -5,-3.7 0, 0.0 -1,-0.3 -0.903 56.2-121.9-121.3 150.5 41.2 -15.0 41.4 36 68 A Y E +C 29 0A 73 -2,-0.3 50,-0.6 -7,-0.3 -7,-0.3 -0.602 32.4 179.3 -89.0 153.7 41.0 -16.4 37.9 37 69 A V E -CD 28 85A 2 -9,-3.1 -9,-2.5 -2,-0.2 2,-0.4 -0.890 29.5-109.7-144.6 171.7 41.4 -14.2 34.9 38 70 A A E -CD 27 84A 11 46,-3.0 46,-3.2 -2,-0.3 2,-0.5 -0.883 27.6-158.6-106.4 139.5 41.5 -14.4 31.1 39 71 A I E -CD 26 83A 0 -13,-2.5 -13,-2.4 -2,-0.4 2,-0.5 -0.954 2.1-159.3-125.5 115.9 44.8 -13.9 29.3 40 72 A K E -CD 25 82A 27 42,-2.9 42,-2.8 -2,-0.5 2,-0.4 -0.804 15.6-163.4 -92.0 127.3 44.9 -12.9 25.7 41 73 A L E - D 0 81A 3 -17,-2.8 40,-0.2 -2,-0.5 -2,-0.0 -0.902 13.1-175.9-116.0 145.0 48.3 -13.7 24.1 42 74 A E E - D 0 80A 23 38,-2.3 38,-2.8 -2,-0.4 4,-0.0 -0.978 33.1-115.3-137.6 121.0 49.8 -12.4 20.9 43 75 A P E > - D 0 79A 60 0, 0.0 3,-2.2 0, 0.0 36,-0.3 -0.288 17.7-134.4 -56.2 136.0 53.1 -13.7 19.5 44 76 A M T 3 S+ 0 0 96 34,-2.9 35,-0.1 1,-0.3 33,-0.0 0.682 107.6 65.4 -63.3 -15.3 55.7 -10.9 19.5 45 77 A K T 3 S+ 0 0 159 33,-0.5 -1,-0.3 2,-0.0 34,-0.1 0.332 76.5 140.9 -87.7 3.1 56.4 -12.2 16.0 46 78 A S < - 0 0 34 -3,-2.2 -4,-0.0 1,-0.1 0, 0.0 -0.203 46.9-153.5 -58.6 139.4 53.0 -11.2 14.8 47 79 A R S S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.708 94.8 34.0 -78.5 -30.8 52.6 -9.8 11.3 48 80 A A S S- 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.747 83.2-162.0-132.9 81.8 49.5 -7.9 12.2 49 81 A P + 0 0 70 0, 0.0 -5,-0.0 0, 0.0 -7,-0.0 -0.336 28.6 149.2 -64.5 144.3 49.7 -6.7 15.9 50 82 A Q > + 0 0 78 -2,-0.0 4,-1.8 3,-0.0 3,-0.5 0.392 48.0 88.1-144.7 -29.2 46.5 -5.7 17.5 51 83 A L H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.881 87.9 43.4 -48.9 -59.5 47.0 -6.6 21.2 52 84 A H H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.803 116.2 44.0 -68.1 -26.1 48.5 -3.5 22.6 53 85 A L H > S+ 0 0 79 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.699 108.5 58.4 -86.9 -12.0 46.4 -1.0 20.9 54 86 A E H X S+ 0 0 2 -4,-1.8 4,-2.2 -3,-0.4 -2,-0.2 0.924 107.6 50.2 -66.4 -43.2 43.3 -3.1 21.7 55 87 A Y H X S+ 0 0 69 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.915 109.0 50.0 -55.4 -46.2 44.8 -2.5 25.2 56 88 A R H X S+ 0 0 115 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.873 107.3 54.0 -62.6 -37.9 44.9 1.3 24.4 57 89 A F H X S+ 0 0 27 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.889 108.0 50.6 -64.2 -36.7 41.3 1.1 23.3 58 90 A Y H X S+ 0 0 11 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.878 108.3 52.1 -66.9 -36.9 40.4 -0.4 26.6 59 91 A K H < S+ 0 0 112 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.943 111.0 47.5 -61.7 -47.7 42.3 2.4 28.4 60 92 A Q H < S+ 0 0 60 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.787 110.2 52.9 -63.9 -30.2 40.3 4.9 26.4 61 93 A L H < S- 0 0 1 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 94.5-169.8 -72.2 -41.2 37.1 3.1 27.2 62 94 A G < - 0 0 34 -4,-2.3 2,-0.3 -5,-0.1 -2,-0.1 -0.124 43.4 -24.2 77.1-178.4 37.8 3.2 30.9 63 95 A S S S+ 0 0 120 -4,-0.1 2,-0.3 6,-0.0 6,-0.1 -0.495 83.4 162.5 -66.5 127.3 35.9 1.4 33.6 64 96 A G > - 0 0 19 3,-0.5 3,-2.3 -2,-0.3 2,-0.2 -0.998 46.4 -89.3-153.1 156.8 32.4 0.7 32.2 65 97 A D T 3 S+ 0 0 113 -2,-0.3 55,-0.1 1,-0.3 -2,-0.0 -0.414 116.2 5.6 -61.8 121.9 29.2 -1.3 32.5 66 98 A G T 3 S+ 0 0 4 -2,-0.2 85,-2.2 1,-0.2 -1,-0.3 0.583 102.6 118.5 80.3 6.4 29.6 -4.4 30.4 67 99 A I < - 0 0 12 -3,-2.3 -3,-0.5 83,-0.2 -1,-0.2 -0.924 68.8-121.2-108.1 116.8 33.2 -3.7 29.7 68 100 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 19,-0.0 -0.225 29.8-113.0 -56.0 142.0 35.6 -6.3 30.9 69 101 A Q - 0 0 105 17,-0.1 16,-2.7 -6,-0.1 2,-0.5 -0.545 25.5-143.5 -76.0 139.6 38.2 -4.9 33.4 70 102 A V E +E 84 0A 38 14,-0.2 14,-0.3 -2,-0.2 3,-0.1 -0.919 21.8 174.5-108.0 127.1 41.8 -5.0 32.1 71 103 A Y E + 0 0 82 12,-3.2 2,-0.3 -2,-0.5 13,-0.2 0.782 57.3 0.0-102.4 -29.7 44.5 -5.7 34.7 72 104 A Y E -E 83 0A 82 11,-1.6 11,-2.7 2,-0.0 2,-0.4 -0.998 37.9-166.1-163.1 153.9 47.7 -5.9 32.8 73 105 A F E +E 82 0A 51 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.937 41.9 122.2-143.0 115.4 49.6 -5.7 29.5 74 106 A G E -E 81 0A 4 7,-2.5 7,-3.1 -2,-0.4 2,-0.1 -0.988 59.7 -69.9-165.7 170.3 53.1 -7.1 29.4 75 107 A P E -E 80 0A 87 0, 0.0 -67,-0.6 0, 0.0 2,-0.3 -0.409 36.1-176.7 -72.1 143.5 55.6 -9.5 27.8 76 108 A C E > -E 79 0A 2 3,-3.7 3,-1.9 1,-0.2 -69,-0.1 -0.853 61.6 -58.1-142.6 98.1 55.2 -13.2 28.5 77 109 A G T 3 S- 0 0 57 -2,-0.3 -1,-0.2 1,-0.3 -72,-0.0 -0.443 121.8 -19.7 60.4-133.0 57.9 -15.3 26.9 78 110 A K T 3 S+ 0 0 169 -3,-0.1 -34,-2.9 -2,-0.1 -33,-0.5 0.046 128.5 89.8 -95.2 28.9 57.7 -14.6 23.2 79 111 A Y E < S-DE 43 76A 78 -3,-1.9 -3,-3.7 -36,-0.3 2,-0.5 -0.885 70.5-139.1-123.9 146.7 54.2 -13.3 23.7 80 112 A N E -DE 42 75A 37 -38,-2.8 -38,-2.3 -2,-0.3 2,-0.4 -0.906 35.9-158.6 -99.5 138.6 52.7 -9.9 24.5 81 113 A A E -DE 41 74A 0 -7,-3.1 -7,-2.5 -2,-0.5 2,-0.5 -0.956 20.7-162.9-127.3 143.2 49.9 -10.6 27.0 82 114 A M E -DE 40 73A 0 -42,-2.8 -42,-2.9 -2,-0.4 2,-0.6 -0.985 15.3-149.1-122.2 119.2 46.8 -8.8 28.1 83 115 A V E +DE 39 72A 0 -11,-2.7 -12,-3.2 -2,-0.5 -11,-1.6 -0.823 24.4 177.9 -95.7 124.1 45.3 -9.9 31.4 84 116 A L E -DE 38 70A 15 -46,-3.2 -46,-3.0 -2,-0.6 -14,-0.2 -0.795 38.9 -86.9-123.4 156.0 41.5 -9.4 31.5 85 117 A E E -D 37 0A 38 -16,-2.7 2,-0.4 -2,-0.3 -48,-0.2 -0.438 52.6-116.4 -61.9 137.5 38.6 -10.0 33.8 86 118 A L - 0 0 11 -50,-0.6 54,-0.2 -2,-0.1 2,-0.2 -0.643 39.8-174.4 -78.2 129.5 37.4 -13.7 33.2 87 119 A L - 0 0 16 -2,-0.4 52,-0.2 1,-0.2 3,-0.1 -0.436 21.0-101.3-112.3-171.8 33.8 -13.7 31.8 88 120 A G - 0 0 15 50,-3.4 -1,-0.2 1,-0.3 52,-0.1 -0.109 58.7 -47.1 -97.0-162.6 31.3 -16.4 31.0 89 121 A P - 0 0 10 0, 0.0 49,-2.1 0, 0.0 -1,-0.3 -0.148 61.0-108.7 -64.3 161.5 30.2 -18.0 27.7 90 122 A S B > -F 137 0B 8 47,-0.2 4,-2.4 1,-0.1 47,-0.3 -0.368 28.9-103.9 -88.0 170.7 29.4 -16.0 24.6 91 123 A L H > S+ 0 0 0 45,-2.1 4,-2.1 42,-1.3 43,-0.2 0.808 123.8 55.8 -64.2 -28.6 26.0 -15.4 23.1 92 124 A E H > S+ 0 0 21 41,-0.9 4,-2.4 44,-0.3 -1,-0.2 0.903 107.0 48.0 -70.3 -40.9 26.9 -17.9 20.4 93 125 A D H > S+ 0 0 67 1,-0.2 4,-2.2 40,-0.2 -2,-0.2 0.927 115.4 46.0 -62.7 -44.8 27.8 -20.6 23.0 94 126 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.843 107.8 57.2 -66.5 -33.8 24.5 -19.9 24.7 95 127 A F H ><>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 3,-0.8 0.969 108.1 46.3 -61.5 -52.1 22.7 -19.9 21.3 96 128 A D H ><5S+ 0 0 78 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.922 110.4 54.3 -55.3 -46.2 23.9 -23.4 20.6 97 129 A L H 3<5S+ 0 0 61 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.795 108.5 49.3 -59.1 -27.6 22.9 -24.4 24.1 98 130 A C T <<5S- 0 0 10 -4,-1.5 3,-0.3 -3,-0.8 -1,-0.3 0.036 126.1-100.3-101.2 25.9 19.4 -23.1 23.4 99 131 A D T < 5 - 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0 0 35 -2,-0.3 3,-0.1 9,-0.0 4,-0.0 -0.969 44.5-101.6-160.7 173.2 32.3 -18.6 -3.3 223 255 A D S S+ 0 0 152 -2,-0.3 2,-0.3 1,-0.1 3,-0.1 0.498 105.8 26.9 -82.1 -3.9 35.7 -19.1 -4.9 224 256 A T S >> S- 0 0 61 1,-0.1 4,-2.5 0, 0.0 3,-0.6 -0.969 79.6-120.1-156.3 139.7 37.2 -16.0 -3.3 225 257 A L H 3> S+ 0 0 120 -2,-0.3 4,-3.5 1,-0.3 5,-0.3 0.931 116.1 56.2 -47.2 -49.5 36.4 -14.1 -0.0 226 258 A K H 3> S+ 0 0 159 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.880 108.7 46.2 -50.6 -44.7 35.7 -11.0 -2.1 227 259 A E H <> S+ 0 0 95 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.925 112.3 49.4 -65.7 -45.8 33.1 -13.0 -4.2 228 260 A R H >X S+ 0 0 51 -4,-2.5 4,-2.9 2,-0.2 3,-0.8 0.986 111.6 49.7 -56.5 -55.1 31.5 -14.5 -1.1 229 261 A Y H 3X S+ 0 0 21 -4,-3.5 4,-2.7 1,-0.3 -1,-0.2 0.899 111.7 50.1 -47.4 -46.3 31.3 -11.0 0.5 230 262 A Q H 3X S+ 0 0 107 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.3 0.823 111.5 47.1 -63.6 -35.7 29.8 -9.8 -2.8 231 263 A K H < S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.950 113.7 43.6 -63.4 -45.5 21.1 -8.7 1.9 237 269 A R H 3< S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.822 114.8 51.7 -67.6 -28.2 20.2 -5.9 -0.5 238 270 A A H 3< S+ 0 0 76 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.432 93.7 80.9 -88.0 -2.3 17.8 -8.4 -2.3 239 271 A T S << S- 0 0 23 -3,-1.0 2,-0.2 -4,-0.7 -1,-0.0 -0.930 81.7-131.7-107.5 115.3 16.0 -9.4 0.9 240 272 A P >> - 0 0 76 0, 0.0 4,-2.6 0, 0.0 3,-2.2 -0.435 13.3-127.8 -66.7 134.9 13.3 -6.9 1.9 241 273 A I H 3> S+ 0 0 20 1,-0.3 4,-3.6 2,-0.2 5,-0.1 0.907 111.2 56.7 -48.8 -45.3 13.4 -5.9 5.6 242 274 A E H 34 S+ 0 0 121 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.753 110.3 45.1 -62.7 -19.7 9.8 -6.7 5.9 243 275 A V H X4 S+ 0 0 87 -3,-2.2 3,-1.0 2,-0.1 -2,-0.2 0.868 115.4 45.4 -87.3 -40.7 10.6 -10.2 4.7 244 276 A L H 3< S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.919 120.3 40.7 -65.2 -43.3 13.6 -10.6 6.9 245 277 A C T >< S+ 0 0 3 -4,-3.6 3,-2.9 -5,-0.3 7,-0.3 0.060 81.2 158.5 -95.6 25.2 11.8 -9.2 9.9 246 278 A E T < S+ 0 0 130 -3,-1.0 -3,-0.1 1,-0.3 -4,-0.0 -0.247 73.0 13.3 -51.2 127.9 8.5 -11.0 9.2 247 279 A N T 3 S+ 0 0 127 -5,-0.1 -1,-0.3 1,-0.0 -4,-0.1 0.411 113.8 83.2 83.1 -1.5 6.6 -11.2 12.5 248 280 A F <> + 0 0 44 -3,-2.9 4,-1.8 -6,-0.1 3,-0.3 -0.644 48.5 169.4-134.7 74.9 8.9 -8.7 14.2 249 281 A P H > S+ 0 0 77 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.856 79.2 54.2 -52.3 -44.3 7.6 -5.2 13.2 250 282 A E H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.888 106.9 51.6 -61.6 -40.0 9.8 -3.5 15.8 251 283 A M H > S+ 0 0 5 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.874 109.0 50.4 -64.3 -37.8 12.9 -5.2 14.4 252 284 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 -7,-0.3 5,-0.2 0.912 111.9 47.9 -67.1 -39.7 11.9 -4.0 10.9 253 285 A T H X S+ 0 0 52 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.904 112.9 48.2 -66.1 -42.0 11.6 -0.5 12.2 254 286 A Y H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-0.6 0.981 113.2 48.9 -59.7 -55.5 14.9 -0.7 14.0 255 287 A L H 3X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.850 112.4 43.2 -56.1 -45.7 16.6 -2.1 10.9 256 288 A R H 3X S+ 0 0 56 -4,-2.4 4,-1.1 2,-0.2 -1,-0.3 0.723 110.9 58.2 -78.3 -16.1 15.4 0.4 8.3 257 289 A Y H << S+ 0 0 58 -4,-1.2 3,-0.4 -3,-0.6 4,-0.4 0.969 112.9 37.8 -70.9 -54.4 16.1 3.2 10.7 258 290 A V H >< S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.879 112.7 58.0 -63.3 -38.0 19.7 2.3 11.1 259 291 A R H 3< S+ 0 0 47 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.1 46.8 -59.9 -33.3 20.0 1.4 7.4 260 292 A R T 3< S+ 0 0 184 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.431 84.6 122.0 -89.5 -0.3 18.9 4.9 6.5 261 293 A L < - 0 0 4 -3,-1.3 2,-0.1 -4,-0.4 -3,-0.0 -0.353 67.1-115.2 -64.8 143.8 21.2 6.7 9.0 262 294 A D - 0 0 87 1,-0.1 -65,-0.3 4,-0.1 3,-0.1 -0.411 27.0-110.1 -74.0 155.6 23.6 9.2 7.4 263 295 A F S S+ 0 0 7 1,-0.2 -67,-0.3 -2,-0.1 -66,-0.3 0.863 118.1 33.4 -55.8 -42.9 27.4 8.4 7.6 264 296 A F S S+ 0 0 96 -69,-0.1 -1,-0.2 -68,-0.1 -68,-0.1 0.655 95.1 121.9 -87.5 -20.0 28.1 11.2 10.1 265 297 A E - 0 0 81 1,-0.1 -68,-0.3 -3,-0.1 -69,-0.1 -0.047 62.0-129.6 -51.4 138.6 24.8 11.0 11.9 266 298 A K - 0 0 138 -70,-0.1 -1,-0.1 -69,-0.0 -4,-0.1 -0.789 31.2-122.8 -87.9 126.9 24.5 10.3 15.6 267 299 A P - 0 0 3 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.349 15.4-120.9 -68.2 153.7 22.0 7.5 16.1 268 300 A D > + 0 0 77 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.738 36.8 176.8 -93.3 85.7 19.1 8.2 18.4 269 301 A Y H > S+ 0 0 7 -2,-1.4 4,-2.5 1,-0.2 5,-0.2 0.844 76.4 56.6 -60.9 -35.1 19.8 5.5 20.9 270 302 A D H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 106.7 49.8 -62.4 -42.8 16.9 6.5 23.1 271 303 A Y H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.930 112.7 47.0 -61.1 -45.4 14.5 6.1 20.2 272 304 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.875 111.6 49.4 -65.6 -40.0 15.9 2.6 19.4 273 305 A R H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 3,-0.2 0.900 110.0 53.0 -66.2 -38.7 15.8 1.4 23.0 274 306 A K H X S+ 0 0 115 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.827 99.5 60.4 -67.0 -32.6 12.2 2.6 23.3 275 307 A L H X S+ 0 0 26 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.894 115.3 37.7 -59.2 -38.7 11.1 0.7 20.2 276 308 A F H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.2 -2,-0.2 0.831 116.2 47.8 -85.4 -34.1 12.2 -2.4 22.2 277 309 A T H X S+ 0 0 46 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.896 111.5 51.6 -75.4 -35.7 11.2 -1.5 25.7 278 310 A D H X S+ 0 0 70 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.965 114.2 44.3 -61.1 -47.2 7.7 -0.4 24.5 279 311 A L H X S+ 0 0 4 -4,-1.2 4,-2.1 -5,-0.4 5,-0.2 0.950 112.3 52.9 -59.0 -49.9 7.4 -3.8 22.7 280 312 A F H X>S+ 0 0 5 -4,-2.7 5,-1.9 1,-0.2 4,-0.5 0.915 112.2 44.5 -51.0 -50.0 8.8 -5.5 25.8 281 313 A D H ><5S+ 0 0 111 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.879 111.2 53.7 -64.4 -39.2 6.2 -3.9 28.0 282 314 A R H 3<5S+ 0 0 164 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.789 104.7 53.7 -67.3 -30.3 3.4 -4.6 25.6 283 315 A K H 3<5S- 0 0 109 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.620 116.0-118.1 -79.1 -12.0 4.2 -8.3 25.4 284 316 A G T <<5 + 0 0 55 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.663 59.5 156.3 84.7 15.8 3.9 -8.3 29.2 285 317 A Y < - 0 0 69 -5,-1.9 2,-0.5 -6,-0.2 -1,-0.2 -0.340 36.1-140.2 -72.8 157.7 7.6 -9.4 29.6 286 318 A M - 0 0 132 4,-0.1 2,-2.3 -2,-0.0 4,-0.3 -0.985 15.1-130.7-120.2 121.5 9.4 -8.6 32.9 287 319 A F + 0 0 76 -2,-0.5 -2,-0.0 1,-0.2 -6,-0.0 -0.496 59.3 136.7 -73.1 84.2 13.1 -7.5 32.5 288 320 A D S S- 0 0 53 -2,-2.3 -1,-0.2 2,-0.1 3,-0.1 0.139 71.1-113.8-116.8 16.4 14.3 -10.0 35.2 289 321 A Y + 0 0 89 1,-0.2 2,-1.2 -3,-0.1 -2,-0.1 0.749 68.5 141.6 56.8 26.4 17.4 -11.3 33.4 290 322 A E - 0 0 107 -4,-0.3 -1,-0.2 4,-0.0 -2,-0.1 -0.742 30.9-177.7-101.3 87.4 15.9 -14.8 33.0 291 323 A Y > - 0 0 5 -2,-1.2 3,-1.2 -3,-0.1 -189,-0.0 -0.138 44.2 -96.5 -72.7 173.3 17.2 -15.5 29.6 292 324 A D T 3 S+ 0 0 48 1,-0.2 4,-0.1 -189,-0.1 -1,-0.1 0.819 119.3 63.7 -64.2 -30.0 16.5 -18.7 27.7 293 325 A W T > S+ 0 0 6 2,-0.1 3,-0.6 3,-0.0 -1,-0.2 0.338 75.6 125.7 -79.5 6.8 19.8 -20.3 28.9 294 326 A I T < S+ 0 0 93 -3,-1.2 3,-0.1 1,-0.2 -4,-0.0 -0.433 71.1 17.4 -74.7 137.2 19.0 -20.3 32.6 295 327 A G T 3 S+ 0 0 77 1,-0.4 -1,-0.2 -2,-0.2 -2,-0.1 0.037 104.0 117.2 92.4 -25.6 19.1 -23.4 34.9 296 328 A K S < S- 0 0 96 -3,-0.6 2,-0.6 -4,-0.1 -1,-0.4 -0.107 73.8-110.9 -66.8 166.0 21.2 -24.7 32.0 297 329 A Q - 0 0 181 -3,-0.1 -1,-0.1 -200,-0.1 -3,-0.0 -0.904 33.5-164.3-109.4 123.4 24.8 -25.6 32.5 298 330 A L - 0 0 51 -2,-0.6 2,-0.3 1,-0.1 -204,-0.0 -0.449 25.4 -96.2 -97.8 172.7 27.3 -23.4 30.9 299 331 A P - 0 0 75 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.639 36.0-176.0 -91.4 154.2 30.9 -24.1 30.3 300 332 A T - 0 0 79 -2,-0.3 -212,-0.1 2,-0.1 -160,-0.0 -0.958 27.1-150.7-139.7 149.5 33.6 -22.9 32.6 301 333 A P 0 0 27 0, 0.0 -286,-0.1 0, 0.0 -1,-0.1 0.604 360.0 360.0 -90.5 -18.1 37.3 -23.1 32.2 302 334 A V 0 0 84 -3,-0.1 -2,-0.1 -266,-0.0 -275,-0.0 -0.385 360.0 360.0 -97.7 360.0 37.6 -23.2 36.0