==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAR-10 2X8I . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.READ,J.BREED,H.HAYE,E.MCCALL,L.OTTERBEIN,A.VALLENTINE, A . 261 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 19.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 23 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 1 1 1 0 1 0 0 0 0 0 0 0 1 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 3 1 0 0 1 2 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 . 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A A > 0 0 40 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 134.4 1.3 -10.6 59.4 2 3 A V H > + 0 0 121 2,-0.2 4,-1.0 1,-0.2 0, 0.0 0.896 360.0 46.0 -71.1 -43.2 -1.9 -12.1 60.9 3 4 A P H > S+ 0 0 97 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.885 111.7 53.8 -65.4 -37.7 -2.9 -8.9 62.7 4 5 A F H >> S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.928 107.4 49.2 -59.3 -48.1 -2.1 -6.8 59.6 5 6 A V H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 5,-0.2 0.712 103.5 62.0 -69.2 -20.6 -4.4 -9.0 57.4 6 7 A E H 3< S+ 0 0 61 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.835 118.7 26.7 -68.9 -34.4 -7.2 -8.6 60.0 7 8 A D H << S+ 0 0 94 -4,-1.1 21,-2.7 -3,-0.7 2,-0.4 0.602 120.7 59.9-102.3 -17.9 -7.2 -4.8 59.4 8 9 A W E < S-A 27 0A 37 -4,-2.2 2,-0.6 19,-0.3 19,-0.3 -0.962 72.3-141.6-119.6 128.9 -5.9 -4.8 55.8 9 10 A D E -A 26 0A 73 17,-3.0 17,-2.3 -2,-0.4 2,-1.4 -0.790 9.3-144.2 -87.0 120.1 -7.6 -6.4 52.8 10 11 A L E +A 25 0A 57 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.737 29.8 179.8 -78.7 91.5 -5.2 -8.0 50.4 11 12 A V E - 0 0 63 13,-2.0 2,-0.3 -2,-1.4 -1,-0.2 0.917 46.7 -27.6 -69.5 -50.2 -7.4 -7.0 47.5 12 13 A Q E -A 24 0A 108 12,-0.7 12,-3.0 -3,-0.2 2,-0.4 -0.985 64.4 -86.3-162.6 164.5 -5.5 -8.3 44.5 13 14 A T E -A 23 0A 59 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.689 26.6-173.4 -81.1 129.1 -2.2 -9.2 42.9 14 15 A L E - 0 0 59 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.765 68.9 -17.6 -88.6 -34.7 -0.4 -6.2 41.3 15 16 A G E -A 22 0A 31 7,-1.6 7,-2.9 2,-0.0 2,-0.4 -0.967 54.4-135.8-169.7 157.3 2.4 -8.3 39.8 16 17 A E E +A 21 0A 155 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.974 22.2 176.9-124.5 131.9 4.2 -11.6 39.9 17 18 A G E > -A 20 0A 58 3,-3.0 3,-0.6 -2,-0.4 -2,-0.0 -0.424 48.0 -81.2-115.4-166.7 8.0 -12.2 39.8 18 19 A A T 3 S+ 0 0 120 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.879 125.1 28.3 -68.2 -41.8 10.3 -15.2 40.0 19 20 A Y T 3 S- 0 0 41 1,-0.1 21,-1.4 20,-0.0 2,-0.3 0.009 129.7 -43.1-114.3 27.4 10.3 -15.6 43.9 20 21 A G E < -AB 17 39A 33 -3,-0.6 -3,-3.0 19,-0.2 2,-0.3 -0.986 61.9 -83.8 150.0-156.3 6.9 -14.1 44.8 21 22 A E E -AB 16 38A 59 17,-1.3 17,-3.2 -2,-0.3 2,-0.4 -0.928 18.4-122.5-147.6 163.9 4.3 -11.4 44.2 22 23 A V E -AB 15 37A 36 -7,-2.9 -8,-2.9 -2,-0.3 -7,-1.6 -0.960 31.9-166.8-111.8 131.6 3.2 -7.8 45.0 23 24 A Q E -AB 13 36A 27 13,-3.0 13,-3.0 -2,-0.4 2,-0.6 -0.868 23.4-119.7-120.0 151.7 -0.3 -7.3 46.4 24 25 A L E -AB 12 35A 15 -12,-3.0 -13,-2.0 -2,-0.3 -12,-0.7 -0.824 30.9-168.0 -86.7 120.0 -2.6 -4.4 46.9 25 26 A A E -AB 10 34A 0 9,-2.8 9,-2.2 -2,-0.6 2,-0.4 -0.924 3.0-170.3-110.7 135.0 -3.4 -4.0 50.6 26 27 A V E -AB 9 33A 34 -17,-2.3 -17,-3.0 -2,-0.4 2,-0.3 -0.990 23.3-127.2-130.6 121.9 -6.2 -1.7 51.7 27 28 A N E > -A 8 0A 19 5,-2.4 4,-2.2 -2,-0.4 -19,-0.3 -0.534 17.2-143.5 -68.4 127.2 -6.9 -0.7 55.3 28 29 A R T 4 S+ 0 0 144 -21,-2.7 -1,-0.1 -2,-0.3 -20,-0.1 0.848 94.9 37.3 -63.7 -38.1 -10.6 -1.4 56.0 29 30 A V T 4 S+ 0 0 129 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.933 131.4 24.2 -79.0 -51.0 -11.1 1.6 58.3 30 31 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.670 89.5-137.0 -91.7 -21.6 -8.9 4.3 56.7 31 32 A E < + 0 0 153 -4,-2.2 2,-0.1 1,-0.2 -3,-0.1 0.637 44.7 160.2 64.8 18.6 -8.9 2.9 53.1 32 33 A E - 0 0 101 -5,-0.1 -5,-2.4 -6,-0.0 2,-0.4 -0.461 30.2-142.7 -63.9 139.4 -5.2 3.7 52.8 33 34 A A E +B 26 0A 34 -7,-0.2 46,-0.5 -2,-0.1 2,-0.3 -0.911 25.1 167.8-109.8 136.0 -3.5 1.7 50.0 34 35 A V E -BC 25 78A 7 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.976 32.7-122.4-140.7 150.4 -0.0 0.2 50.2 35 36 A A E -BC 24 77A 7 42,-3.0 42,-3.2 -2,-0.3 2,-0.6 -0.814 23.1-157.6 -93.2 134.0 1.8 -2.4 48.0 36 37 A V E -BC 23 76A 2 -13,-3.0 -13,-3.0 -2,-0.4 2,-0.6 -0.963 0.9-158.8-119.2 113.1 3.0 -5.5 49.8 37 38 A K E -BC 22 75A 15 38,-2.6 38,-2.7 -2,-0.6 2,-0.5 -0.839 9.2-161.1 -93.3 121.5 5.8 -7.4 48.2 38 39 A I E -BC 21 74A 28 -17,-3.2 -17,-1.3 -2,-0.6 2,-0.5 -0.926 10.5-178.4-111.9 118.9 5.9 -11.0 49.5 39 40 A V E -BC 20 73A 5 34,-2.7 34,-3.0 -2,-0.5 2,-0.8 -0.966 20.4-147.1-127.6 115.1 9.2 -12.9 49.0 40 41 A D E C 0 72A 94 -21,-1.4 32,-0.2 -2,-0.5 -2,-0.0 -0.729 360.0 360.0 -79.0 110.8 9.8 -16.5 50.0 41 42 A M 0 0 141 30,-2.1 -1,-0.2 -2,-0.8 31,-0.1 0.603 360.0 360.0 -73.4 360.0 13.4 -16.7 51.0 42 ! 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 43 50 A E 0 0 96 0, 0.0 2,-0.6 0, 0.0 101,-0.2 0.000 360.0 360.0 360.0 126.1 16.3 -11.0 43.2 44 51 A N > - 0 0 91 99,-2.8 4,-2.3 1,-0.1 3,-0.1 -0.870 360.0-175.7-114.0 94.9 18.5 -10.4 46.2 45 52 A I H > S+ 0 0 22 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.782 78.4 57.1 -65.9 -30.4 16.1 -9.6 49.0 46 53 A K H > S+ 0 0 71 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.947 114.1 37.4 -65.3 -49.3 18.8 -8.8 51.6 47 54 A K H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.829 110.7 63.9 -71.8 -32.0 20.4 -6.1 49.5 48 55 A E H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.928 104.9 44.0 -56.4 -50.1 17.0 -4.9 48.3 49 56 A I H X S+ 0 0 16 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.941 114.5 49.8 -59.9 -49.1 15.9 -3.9 51.8 50 57 A C H < S+ 0 0 62 -4,-1.5 4,-0.4 2,-0.2 -2,-0.2 0.916 114.3 43.9 -58.2 -47.2 19.3 -2.2 52.5 51 58 A I H >X S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.2 4,-0.7 0.936 109.4 56.4 -65.2 -47.9 19.2 -0.2 49.2 52 59 A N H >< S+ 0 0 8 -4,-2.8 3,-0.9 1,-0.3 11,-0.3 0.848 100.2 60.5 -49.8 -37.8 15.5 0.7 49.7 53 60 A K T 3< S+ 0 0 141 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.688 102.4 53.2 -64.4 -19.8 16.4 2.2 53.1 54 61 A M T <4 S+ 0 0 88 -3,-2.0 2,-0.2 -4,-0.4 -1,-0.2 0.662 90.3 98.8 -85.4 -20.3 18.8 4.7 51.3 55 62 A L << + 0 0 27 -3,-0.9 8,-0.3 -4,-0.7 2,-0.2 -0.503 30.6 153.3 -89.0 137.8 16.3 6.0 48.8 56 63 A N + 0 0 128 -2,-0.2 2,-0.3 6,-0.1 5,-0.1 -0.627 28.9 120.1-157.8 91.5 14.3 9.2 49.0 57 64 A H > - 0 0 39 3,-0.3 3,-1.6 -2,-0.2 53,-0.0 -0.987 64.1-120.4-158.0 147.2 13.2 10.8 45.7 58 65 A E T 3 S+ 0 0 136 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.707 112.7 50.5 -62.8 -23.8 9.9 11.7 44.0 59 66 A N T 3 S+ 0 0 6 79,-0.1 80,-2.9 50,-0.1 2,-0.4 0.062 97.6 79.8-106.3 25.0 10.7 9.4 41.0 60 67 A V B < S-e 139 0B 2 -3,-1.6 -3,-0.3 78,-0.3 2,-0.2 -0.992 91.5-102.8-127.5 139.1 11.4 6.3 43.1 61 68 A V - 0 0 7 78,-2.8 -6,-0.1 -2,-0.4 -2,-0.1 -0.407 46.6-117.4 -59.9 123.2 8.8 4.0 44.7 62 69 A K - 0 0 101 -2,-0.2 16,-2.6 -4,-0.1 2,-0.5 -0.367 19.7-143.5 -69.3 140.9 8.8 4.9 48.4 63 70 A F E +D 77 0A 43 -8,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.936 19.4 177.5-106.1 121.9 9.8 2.2 50.9 64 71 A Y E - 0 0 123 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.798 53.5 -75.1 -92.4 -34.9 7.8 2.2 54.2 65 72 A G E -D 76 0A 20 11,-1.2 11,-3.3 2,-0.0 -1,-0.3 -0.967 39.7-129.3 160.7-172.5 9.3 -0.8 56.0 66 73 A H E -D 75 0A 73 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.970 10.3-168.3-158.1 162.9 9.5 -4.5 56.2 67 74 A R E -D 74 0A 149 7,-1.9 7,-2.5 -2,-0.3 2,-0.3 -0.963 21.1-122.0-159.5 158.9 9.2 -7.5 58.4 68 75 A R E -D 73 0A 54 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.750 18.8-178.1 -97.0 143.8 9.9 -11.3 58.5 69 76 A E E > -D 72 0A 42 3,-2.3 3,-1.1 -2,-0.3 2,-0.5 -0.746 69.2 -51.0-143.6 88.3 7.2 -13.8 59.3 70 77 A G T 3 S- 0 0 79 -2,-0.3 -2,-0.0 1,-0.2 0, 0.0 -0.729 120.3 -24.6 76.8-124.0 8.7 -17.3 59.3 71 78 A N T 3 S+ 0 0 90 -2,-0.5 -30,-2.1 -3,-0.1 2,-0.4 0.377 118.9 99.3 -98.4 0.6 10.7 -17.7 56.0 72 79 A I E < -CD 40 69A 30 -3,-1.1 -3,-2.3 -32,-0.2 2,-0.5 -0.755 60.6-150.8 -95.3 133.7 8.6 -15.0 54.2 73 80 A Q E -CD 39 68A 21 -34,-3.0 -34,-2.7 -2,-0.4 2,-0.5 -0.892 7.6-160.0-103.9 130.0 9.8 -11.5 53.8 74 81 A Y E -CD 38 67A 49 -7,-2.5 -7,-1.9 -2,-0.5 2,-0.5 -0.952 5.0-169.7-113.5 118.7 7.2 -8.7 53.6 75 82 A L E -CD 37 66A 0 -38,-2.7 -38,-2.6 -2,-0.5 2,-0.6 -0.931 12.2-147.5-107.7 132.3 8.2 -5.3 52.0 76 83 A F E +CD 36 65A 30 -11,-3.3 -12,-3.1 -2,-0.5 -11,-1.2 -0.891 27.5 173.7-107.3 116.9 5.8 -2.4 52.4 77 84 A L E -CD 35 63A 17 -42,-3.2 -42,-3.0 -2,-0.6 -14,-0.2 -0.808 38.6 -84.7-125.8 155.6 5.9 -0.0 49.4 78 85 A E E -C 34 0A 23 -16,-2.6 2,-0.6 -2,-0.3 -44,-0.2 -0.372 44.0-125.2 -55.2 128.7 4.1 3.0 48.0 79 86 A Y - 0 0 68 -46,-0.5 2,-0.9 -2,-0.1 -46,-0.1 -0.753 18.1-153.8 -80.5 120.8 1.1 2.0 46.0 80 87 A C > - 0 0 9 -2,-0.6 3,-1.4 1,-0.1 51,-0.3 -0.843 10.1-172.2-100.8 99.3 1.4 3.6 42.5 81 88 A S T 3 S+ 0 0 60 -2,-0.9 51,-0.2 1,-0.3 -1,-0.1 0.485 74.9 69.7 -82.7 -4.1 -2.2 3.9 41.4 82 89 A G T 3 S- 0 0 18 49,-2.4 -1,-0.3 1,-0.3 50,-0.2 0.485 96.5-144.6 -84.1 -7.9 -1.4 5.0 37.8 83 90 A G E < -F 131 0B 30 -3,-1.4 48,-2.5 48,-0.7 2,-0.3 -0.480 38.5 -19.8 85.6-149.8 -0.2 1.4 37.1 84 91 A E E > -F 130 0B 58 46,-0.2 3,-1.1 -2,-0.2 46,-0.2 -0.750 48.0-126.7-100.6 149.6 2.7 0.4 34.9 85 92 A L G > S+ 0 0 1 44,-2.8 3,-2.3 41,-0.8 4,-0.3 0.839 106.9 68.8 -56.2 -35.9 4.4 2.3 32.1 86 93 A F G > S+ 0 0 70 40,-0.5 3,-1.7 1,-0.3 -1,-0.2 0.849 90.9 60.3 -55.9 -34.0 3.8 -0.7 29.8 87 94 A D G < S+ 0 0 122 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.438 99.1 56.3 -81.7 2.9 0.0 -0.0 29.9 88 95 A R G < S+ 0 0 83 -3,-2.3 2,-0.7 -4,-0.1 -1,-0.3 0.328 91.7 87.9-101.5 0.1 0.5 3.4 28.4 89 96 A I S < S- 0 0 15 -3,-1.7 6,-0.2 -4,-0.3 105,-0.1 -0.901 71.3-148.4-105.6 109.8 2.4 1.8 25.4 90 97 A E B >> -H 94 0C 115 4,-2.5 4,-3.5 -2,-0.7 3,-2.4 -0.654 36.3-101.8 -74.2 123.8 0.0 0.7 22.6 91 98 A P T 34 S- 0 0 97 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.227 101.3 -0.4 -55.7 134.3 1.6 -2.4 20.9 92 99 A D T 34 S+ 0 0 105 105,-3.0 105,-0.2 1,-0.1 106,-0.1 0.504 135.4 58.8 63.0 10.4 3.4 -1.6 17.6 93 100 A I T <4 S- 0 0 106 -3,-2.4 2,-0.4 104,-0.1 104,-0.3 0.618 78.1-165.2-129.8 -45.4 2.4 2.1 18.1 94 101 A G B < -H 90 0C 3 -4,-3.5 -4,-2.5 102,-0.3 101,-0.2 -0.740 36.7 -62.2 92.2-132.9 3.8 3.4 21.4 95 102 A M - 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0 0 87 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.524 32.3-140.9 -75.4 139.2 31.1 0.6 34.2 179 186 A A H >> S+ 0 0 2 -24,-0.4 4,-1.4 -2,-0.2 3,-0.9 0.916 88.7 60.7 -67.3 -48.4 27.6 0.6 35.8 180 187 A E H 3> S+ 0 0 69 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.867 100.3 50.8 -58.2 -46.3 26.2 4.0 34.6 181 188 A P H 3> S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.802 105.1 59.9 -63.3 -25.5 26.3 3.4 30.8 182 189 A V H - 0 0 18 -2,-1.8 3,-1.1 1,-0.1 7,-0.3 -0.768 68.0-119.3-108.3 155.7 24.6 -9.5 19.8 206 213 A D T 3 S+ 0 0 119 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.868 115.7 55.7 -49.5 -43.8 26.5 -9.9 16.6 207 214 A S T 3 S+ 0 0 104 4,-0.1 2,-0.6 5,-0.0 -1,-0.2 0.555 87.0 92.0 -75.9 -8.5 24.4 -13.0 15.7 208 215 A C X> - 0 0 12 -3,-1.1 4,-2.2 1,-0.2 3,-0.5 -0.806 65.2-155.6 -92.0 116.6 21.1 -11.0 16.1 209 216 A Q H 3> S+ 0 0 112 -2,-0.6 4,-2.7 1,-0.3 5,-0.2 0.865 90.9 55.6 -60.9 -42.1 20.1 -9.6 12.7 210 217 A E H 3> S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.844 108.1 49.5 -63.2 -34.5 18.0 -6.8 14.1 211 218 A Y H <> S+ 0 0 2 -3,-0.5 4,-2.7 -8,-0.3 -1,-0.2 0.936 109.8 51.2 -69.4 -43.7 21.0 -5.5 16.1 212 219 A S H X S+ 0 0 17 -4,-2.2 4,-1.9 -7,-0.3 -2,-0.2 0.914 106.9 54.7 -55.1 -43.6 23.2 -5.7 12.9 213 220 A D H <>S+ 0 0 24 -4,-2.7 5,-2.7 2,-0.2 -1,-0.2 0.887 109.6 46.8 -58.4 -42.8 20.5 -3.7 11.1 214 221 A W H ><5S+ 0 0 10 -4,-1.6 3,-2.2 1,-0.2 -2,-0.2 0.943 109.9 52.2 -64.1 -48.2 20.8 -1.0 13.8 215 222 A K H 3<5S+ 0 0 68 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.821 108.9 52.3 -55.2 -32.1 24.6 -1.0 13.7 216 223 A E T 3<5S- 0 0 115 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.201 117.7-115.0 -93.4 15.4 24.3 -0.5 9.9 217 224 A K T < 5 + 0 0 129 -3,-2.2 2,-2.1 1,-0.2 -3,-0.2 0.739 56.7 159.5 60.0 31.0 22.0 2.5 10.3 218 225 A K > < + 0 0 58 -5,-2.7 3,-1.2 1,-0.2 6,-0.2 -0.466 6.4 153.2 -82.6 70.7 18.9 0.8 8.7 219 226 A T T 3 + 0 0 41 -2,-2.1 8,-0.2 1,-0.3 -1,-0.2 0.365 57.5 78.2 -86.4 4.9 16.5 3.2 10.3 220 227 A Y T 3 S+ 0 0 154 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.399 86.6 77.2 -85.1 -1.4 14.0 2.7 7.4 221 228 A L S <> S- 0 0 62 -3,-1.2 4,-1.7 1,-0.1 3,-0.4 -0.700 93.4 -52.1-103.8 160.4 13.1 -0.6 9.1 222 229 A N T 4 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 -0.434 116.0 18.1 -67.2 147.2 10.9 -1.2 12.2 223 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.995 126.3 51.5 -84.3 -9.4 10.9 0.0 14.9 224 231 A W G >4 S+ 0 0 6 -3,-0.4 3,-2.2 1,-0.3 -2,-0.2 0.789 98.1 64.3 -63.3 -35.0 13.1 3.0 13.8 225 232 A K G 3< S+ 0 0 122 -4,-1.7 -1,-0.3 1,-0.3 -3,-0.1 0.631 99.6 56.3 -67.4 -13.8 10.9 4.0 10.8 226 233 A K G < S+ 0 0 68 -3,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.433 94.0 86.9 -88.8 -4.0 8.1 4.9 13.2 227 234 A I S < S- 0 0 14 -3,-2.2 -31,-0.1 -8,-0.2 -35,-0.0 -0.876 81.7-120.4-109.2 125.9 10.4 7.3 15.2 228 235 A D > - 0 0 77 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.196 28.2-114.6 -56.1 150.6 10.8 10.9 14.2 229 236 A S H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.748 110.6 61.0 -68.0 -23.7 14.4 11.9 13.4 230 237 A A H > S+ 0 0 24 2,-0.2 4,-1.1 1,-0.2 27,-0.4 0.989 113.5 33.9 -66.3 -58.0 14.7 14.3 16.4 231 238 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.869 116.0 59.0 -64.2 -31.5 14.1 11.6 19.0 232 239 A L H X S+ 0 0 16 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.872 98.8 58.7 -61.1 -37.2 15.9 9.1 16.8 233 240 A A H X S+ 0 0 44 -4,-1.9 4,-0.9 -3,-0.2 -1,-0.2 0.869 106.4 47.7 -60.5 -37.2 19.0 11.3 16.9 234 241 A L H >X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.3 3,-0.9 0.928 110.1 51.5 -67.7 -44.6 19.0 10.9 20.7 235 242 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.3 -2,-0.2 0.879 103.7 59.9 -60.5 -36.2 18.6 7.1 20.4 236 243 A H H 3< S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.812 109.8 42.1 -55.6 -35.3 21.6 7.2 18.0 237 244 A K H << S+ 0 0 80 -3,-0.9 10,-2.0 -4,-0.9 3,-0.4 0.763 118.3 44.7 -86.1 -29.1 23.7 8.6 20.8 238 245 A I H < S+ 0 0 0 -4,-1.9 2,-1.4 1,-0.2 -2,-0.2 0.904 106.5 56.6 -80.5 -43.9 22.3 6.3 23.5 239 246 A L S < S+ 0 0 6 -4,-3.0 2,-0.4 -5,-0.2 -1,-0.2 -0.357 74.6 142.4 -92.3 55.9 22.4 3.0 21.7 240 247 A V - 0 0 38 -2,-1.4 6,-0.1 -3,-0.4 -3,-0.1 -0.840 50.1-139.9 -98.0 129.5 26.1 3.2 20.9 241 248 A E S S+ 0 0 68 -2,-0.4 -71,-0.2 1,-0.1 -1,-0.1 0.892 87.3 68.9 -61.4 -46.7 27.9 -0.1 21.2 242 249 A N S >> S- 0 0 93 1,-0.2 3,-1.4 -73,-0.1 4,-1.1 -0.672 71.6-155.9 -78.2 111.0 31.1 1.2 22.9 243 250 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.758 93.6 60.1 -60.6 -24.1 30.1 2.2 26.4 244 251 A S T 34 S+ 0 0 104 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.794 110.5 40.4 -71.3 -29.7 33.0 4.6 26.5 245 252 A A T <4 S+ 0 0 70 -3,-1.4 -1,-0.2 2,-0.1 3,-0.1 0.541 93.6 114.0 -92.9 -9.8 31.6 6.5 23.5 246 253 A R S < S- 0 0 10 -4,-1.1 -8,-0.2 -6,-0.1 -9,-0.1 -0.300 78.2 -96.5 -64.6 144.6 28.0 6.3 24.7 247 254 A I - 0 0 19 -10,-2.0 2,-0.2 -13,-0.1 -1,-0.1 -0.287 36.1-140.2 -60.4 141.1 26.2 9.5 25.7 248 255 A T >> - 0 0 70 -3,-0.1 4,-1.9 1,-0.1 3,-0.5 -0.612 26.1-106.2 -96.4 163.8 26.2 10.3 29.4 249 256 A I H 3> S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.905 119.2 58.5 -64.6 -40.2 23.2 11.7 31.2 250 257 A P H 34 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.869 110.8 44.1 -54.6 -34.0 24.7 15.2 31.4 251 258 A D H X4 S+ 0 0 72 -3,-0.5 3,-1.3 2,-0.2 4,-0.4 0.789 104.9 61.1 -82.2 -28.9 25.0 15.2 27.6 252 259 A I H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 6,-0.2 0.899 98.6 59.9 -55.9 -40.5 21.4 13.7 27.2 253 260 A K T 3< S+ 0 0 81 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.601 103.4 51.8 -64.3 -13.5 20.3 17.0 29.0 254 261 A K T < S+ 0 0 156 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.508 83.0 118.6 -97.3 -7.7 21.9 18.9 26.1 255 262 A D <> - 0 0 5 -3,-1.6 4,-1.8 -4,-0.4 5,-0.1 -0.324 66.3-132.6 -66.3 140.5 20.1 16.9 23.3 256 263 A R H > S+ 0 0 79 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.926 105.7 45.3 -59.7 -50.8 17.8 18.9 21.0 257 264 A W H >4 S+ 0 0 1 -27,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.911 108.7 57.5 -61.2 -42.6 14.9 16.5 21.2 258 265 A Y H 34 S+ 0 0 13 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.901 117.0 34.5 -51.7 -44.0 15.2 16.2 25.0 259 266 A N H 3< S+ 0 0 95 -4,-1.8 -1,-0.3 -3,-0.1 -2,-0.2 0.371 91.4 119.5 -94.0 3.2 14.8 20.0 25.3 260 267 A K << - 0 0 85 -3,-1.1 2,-0.3 -4,-0.6 -3,-0.0 -0.559 65.1-128.1 -76.1 120.7 12.4 20.5 22.4 261 268 A P 0 0 122 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.550 360.0 360.0 -66.3 128.4 9.0 22.0 23.4 262 269 A L 0 0 91 -2,-0.3 -165,-0.0 -164,-0.1 -2,-0.0 0.591 360.0 360.0-117.8 360.0 6.3 19.7 22.1