==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-11 2YDK . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.READ,J.BREED,H.HAYE,E.MCCALL,S.ROWSELL,A.VALLENTINE,A.WH . 263 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13309.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 68.8 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 . 49 18.6 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 . 22 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.9 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 2 1 0 1 0 0 2 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 1 1 2 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 . 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 3 A V > 0 0 125 0, 0.0 4,-0.8 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -39.7 -1.3 82.6 -9.1 2 4 A P H > + 0 0 108 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.767 360.0 60.7 -62.2 -27.1 -2.8 79.6 -11.0 3 5 A F H >> S+ 0 0 59 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.948 103.3 47.6 -60.3 -51.8 -2.1 77.5 -7.9 4 6 A V H 34 S+ 0 0 68 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.639 103.0 66.2 -70.6 -12.7 -4.5 79.7 -5.8 5 7 A E H 3< S+ 0 0 62 -4,-0.8 -1,-0.2 1,-0.1 -2,-0.2 0.919 118.8 21.0 -64.8 -47.1 -7.0 79.3 -8.7 6 8 A D H << S+ 0 0 96 -4,-1.2 21,-2.5 -3,-0.6 2,-0.5 0.650 121.7 65.0 -97.8 -20.0 -7.3 75.6 -7.9 7 9 A W E < S-A 26 0A 36 -4,-2.8 2,-0.6 19,-0.2 19,-0.2 -0.923 71.1-142.6-113.1 128.7 -6.1 75.5 -4.3 8 10 A D E -A 25 0A 68 17,-3.2 17,-2.5 -2,-0.5 2,-1.6 -0.786 8.8-144.5 -88.8 119.9 -7.8 77.2 -1.4 9 11 A L E -A 24 0A 61 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.704 27.9-176.2 -77.5 85.6 -5.4 78.8 1.1 10 12 A V E - 0 0 65 -2,-1.6 2,-0.3 13,-1.6 -1,-0.2 0.865 47.5 -36.7 -62.0 -43.2 -7.8 77.8 3.9 11 13 A Q E -A 23 0A 110 12,-0.7 12,-2.6 -3,-0.2 2,-0.3 -0.986 66.1 -75.1-173.2 165.7 -6.1 79.4 6.9 12 14 A T E -A 22 0A 67 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.614 30.7-175.7 -76.4 129.5 -2.8 80.2 8.7 13 15 A L E - 0 0 64 8,-3.6 2,-0.3 1,-0.4 9,-0.2 0.741 65.6 -28.1 -91.9 -34.4 -1.1 77.2 10.3 14 16 A G E -A 21 0A 21 7,-1.4 7,-2.6 2,-0.0 2,-0.4 -0.976 55.3-113.0-168.4 173.4 1.8 79.2 11.9 15 17 A E E -A 20 0A 89 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.991 26.5-175.6-125.2 122.0 4.0 82.3 11.7 16 18 A G - 0 0 39 3,-3.5 3,-0.3 -2,-0.4 5,-0.0 -0.411 45.2 -92.2 -96.7-175.9 7.8 82.1 11.1 17 19 A A S S+ 0 0 83 1,-0.2 3,-0.1 -2,-0.2 21,-0.0 0.884 124.7 35.0 -69.3 -38.6 10.3 85.0 11.1 18 20 A Y S S- 0 0 10 1,-0.2 21,-2.3 19,-0.0 2,-0.3 0.395 130.3 -52.3 -96.7 0.9 10.0 85.8 7.3 19 21 A G - 0 0 18 -3,-0.3 -3,-3.5 19,-0.2 2,-0.2 -0.991 68.5 -47.1 156.8-162.4 6.3 84.9 6.9 20 22 A E E -A 15 0A 87 -2,-0.3 17,-3.0 -5,-0.2 2,-0.5 -0.504 27.3-131.9-105.6 163.5 3.5 82.4 7.4 21 23 A V E -AB 14 36A 32 -7,-2.6 -8,-3.6 15,-0.2 -7,-1.4 -0.990 32.8-167.7-108.4 126.9 2.7 78.8 7.0 22 24 A Q E -AB 12 35A 20 13,-2.4 13,-2.9 -2,-0.5 2,-0.6 -0.898 22.7-125.2-116.4 145.1 -0.7 78.3 5.2 23 25 A L E -AB 11 34A 17 -12,-2.6 -13,-1.6 -2,-0.3 -12,-0.7 -0.822 28.7-166.0 -85.3 119.8 -2.9 75.3 4.7 24 26 A A E -AB 9 33A 0 9,-2.8 9,-2.4 -2,-0.6 2,-0.4 -0.927 4.4-172.0-108.1 129.6 -3.7 74.8 1.0 25 27 A V E -AB 8 32A 32 -17,-2.5 -17,-3.2 -2,-0.4 2,-0.6 -0.990 25.3-124.8-125.8 131.3 -6.5 72.4 -0.1 26 28 A N E > -A 7 0A 21 5,-2.6 4,-2.7 -2,-0.4 -19,-0.2 -0.627 15.7-144.8 -76.5 116.3 -7.1 71.4 -3.7 27 29 A R T 4 S+ 0 0 138 -21,-2.5 -1,-0.2 -2,-0.6 -20,-0.1 0.760 95.7 38.4 -53.4 -28.8 -10.8 72.2 -4.4 28 30 A V T 4 S+ 0 0 126 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.929 130.6 21.8 -87.8 -53.8 -11.1 69.1 -6.7 29 31 A T T 4 S- 0 0 88 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.665 90.2-135.1 -89.6 -19.4 -9.1 66.3 -5.0 30 32 A E < + 0 0 154 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.597 47.1 157.6 65.5 16.3 -9.2 67.8 -1.5 31 33 A E - 0 0 102 -5,-0.1 -5,-2.6 -6,-0.1 2,-0.4 -0.448 31.9-143.0 -64.3 141.2 -5.4 67.0 -1.1 32 34 A A E +B 25 0A 34 -7,-0.2 48,-0.6 -2,-0.1 2,-0.3 -0.915 22.3 174.4-113.8 138.4 -3.8 69.3 1.6 33 35 A V E -BC 24 79A 8 -9,-2.4 -9,-2.8 -2,-0.4 2,-0.4 -0.986 29.2-123.4-142.1 142.9 -0.3 70.7 1.4 34 36 A A E -BC 23 78A 7 44,-2.8 44,-3.0 -2,-0.3 2,-0.6 -0.755 21.7-156.5 -89.9 134.6 1.4 73.2 3.7 35 37 A V E -BC 22 77A 4 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.5 -0.927 1.8-161.4-118.4 105.1 2.8 76.3 2.1 36 38 A K E -BC 21 76A 8 40,-2.5 40,-3.1 -2,-0.6 2,-0.5 -0.765 10.8-160.8 -83.4 124.7 5.6 78.1 3.8 37 39 A I E - C 0 75A 36 -17,-3.0 2,-0.4 -2,-0.5 38,-0.2 -0.941 9.4-175.4-113.7 124.2 5.8 81.7 2.5 38 40 A V E - C 0 74A 8 36,-2.8 36,-3.2 -2,-0.5 2,-0.9 -0.991 20.9-142.6-127.6 129.4 9.0 83.6 3.1 39 41 A D E - C 0 73A 45 -21,-2.3 3,-0.5 -2,-0.4 34,-0.2 -0.791 7.7-164.1 -90.3 105.3 9.8 87.2 2.2 40 42 A M S S+ 0 0 76 32,-2.4 2,-0.9 -2,-0.9 -1,-0.2 0.810 85.9 62.7 -58.8 -29.8 13.4 87.4 1.0 41 43 A K 0 0 67 31,-0.4 -1,-0.3 -23,-0.1 31,-0.0 -0.434 360.0 360.0 -95.8 58.5 13.4 91.2 1.5 42 44 A R 0 0 198 -2,-0.9 -1,-0.1 -3,-0.5 -2,-0.0 -0.731 360.0 360.0-101.8 360.0 12.8 91.1 5.4 43 ! 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 44 50 A E 0 0 89 0, 0.0 2,-0.6 0, 0.0 101,-0.2 0.000 360.0 360.0 360.0 134.3 16.4 81.6 9.0 45 51 A N > - 0 0 88 99,-3.6 4,-2.5 1,-0.1 5,-0.1 -0.917 360.0-165.4-106.6 108.3 18.3 81.5 5.7 46 52 A I H > S+ 0 0 22 -2,-0.6 4,-1.8 1,-0.2 5,-0.2 0.798 84.3 53.6 -67.7 -34.3 15.9 80.8 2.8 47 53 A K H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.949 115.2 40.5 -63.2 -49.2 18.4 79.8 0.1 48 54 A K H > S+ 0 0 62 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.877 109.5 60.3 -67.8 -40.4 20.0 77.2 2.4 49 55 A E H X S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.928 109.9 42.0 -51.2 -52.5 16.6 76.0 3.7 50 56 A I H X S+ 0 0 10 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.948 116.1 49.7 -57.3 -50.8 15.5 75.0 0.1 51 57 A C H X S+ 0 0 51 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.901 114.2 44.0 -61.0 -42.2 19.0 73.5 -0.6 52 58 A I H >X S+ 0 0 0 -4,-3.9 3,-0.9 1,-0.2 4,-0.6 0.907 109.3 57.3 -70.3 -40.3 18.9 71.4 2.7 53 59 A N H >< S+ 0 0 7 -4,-2.8 3,-0.9 -5,-0.3 11,-0.3 0.845 99.1 60.7 -57.7 -35.3 15.3 70.4 2.1 54 60 A K H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 102.0 53.0 -61.2 -30.3 16.3 68.9 -1.3 55 61 A M H << S+ 0 0 86 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.2 0.652 90.9 98.4 -77.7 -16.9 18.7 66.5 0.4 56 62 A L << + 0 0 25 -3,-0.9 8,-0.3 -4,-0.6 2,-0.2 -0.574 30.8 154.9 -93.8 135.9 16.2 65.0 2.9 57 63 A N + 0 0 130 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.709 30.8 119.6-155.4 93.4 14.2 61.7 2.6 58 64 A H > - 0 0 47 3,-0.3 3,-1.6 -2,-0.2 53,-0.0 -0.970 64.7-120.6-163.6 144.8 13.1 60.2 5.9 59 65 A E T 3 S+ 0 0 143 -2,-0.3 52,-0.1 1,-0.3 4,-0.1 0.574 112.1 50.0 -67.2 -13.2 9.9 59.2 7.8 60 66 A N T 3 S+ 0 0 9 50,-0.1 80,-2.6 79,-0.1 2,-0.3 0.005 98.3 76.8-117.5 28.4 10.7 61.6 10.7 61 67 A V B < S-e 140 0B 4 -3,-1.6 -3,-0.3 78,-0.3 2,-0.2 -0.994 92.7-103.6-129.9 137.3 11.4 64.7 8.7 62 68 A V - 0 0 7 78,-2.6 2,-0.1 -2,-0.3 -6,-0.1 -0.463 45.9-116.7 -59.1 121.1 8.6 66.9 7.0 63 69 A K - 0 0 121 -2,-0.2 16,-2.4 -4,-0.1 2,-0.5 -0.415 20.6-143.9 -66.9 137.1 8.7 66.0 3.3 64 70 A F E +D 78 0A 34 -8,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.892 18.7 178.6-104.9 121.8 9.6 68.8 0.9 65 71 A Y E - 0 0 115 12,-2.9 2,-0.3 -2,-0.5 13,-0.2 0.828 54.5 -75.7 -90.3 -39.3 7.7 68.6 -2.5 66 72 A G E -D 77 0A 21 11,-1.3 11,-3.4 2,-0.0 -1,-0.4 -0.972 41.0-126.2 164.1-172.5 9.2 71.7 -4.1 67 73 A H E -D 76 0A 73 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.968 8.2-160.5-152.6 165.2 9.2 75.5 -4.3 68 74 A R E -D 75 0A 147 7,-2.0 7,-2.9 -2,-0.3 2,-0.5 -0.979 15.6-132.1-154.8 158.2 8.9 78.6 -6.4 69 75 A R E -D 74 0A 143 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.878 13.3-176.4-103.5 131.1 9.7 82.2 -6.4 70 76 A E E > -D 73 0A 77 3,-2.7 3,-1.8 -2,-0.5 2,-0.4 -0.909 68.4 -59.2-123.8 98.1 7.2 84.9 -7.2 71 77 A G T 3 S- 0 0 46 -2,-0.4 -2,-0.0 1,-0.3 0, 0.0 -0.503 120.6 -13.5 66.9-121.4 9.2 88.2 -7.1 72 78 A N T 3 S+ 0 0 108 -2,-0.4 -32,-2.4 -3,-0.1 2,-0.5 0.439 120.9 92.5 -87.9 -2.2 10.7 88.7 -3.7 73 79 A I E < -CD 39 70A 46 -3,-1.8 -3,-2.7 -34,-0.2 2,-0.4 -0.812 59.5-157.5-100.6 129.5 8.5 86.0 -2.2 74 80 A Q E -CD 38 69A 23 -36,-3.2 -36,-2.8 -2,-0.5 2,-0.5 -0.874 4.6-159.1 -99.8 137.6 9.6 82.3 -1.9 75 81 A Y E -CD 37 68A 69 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.5 -0.970 3.2-165.6-116.5 118.0 7.0 79.5 -1.6 76 82 A L E -CD 36 67A 0 -40,-3.1 -40,-2.5 -2,-0.5 2,-0.6 -0.900 10.1-149.2-102.9 129.0 7.9 76.1 -0.1 77 83 A F E +CD 35 66A 35 -11,-3.4 -12,-2.9 -2,-0.5 -11,-1.3 -0.863 27.3 170.7-103.0 119.5 5.5 73.2 -0.6 78 84 A L E -CD 34 64A 18 -44,-3.0 -44,-2.8 -2,-0.6 -14,-0.2 -0.869 40.7 -88.5-131.5 152.6 5.6 70.8 2.2 79 85 A E E -C 33 0A 31 -16,-2.4 2,-0.5 -2,-0.3 -46,-0.2 -0.393 48.0-117.9 -60.2 135.3 3.7 67.7 3.5 80 86 A Y - 0 0 71 -48,-0.6 2,-0.9 -2,-0.1 -1,-0.1 -0.708 19.8-155.6 -81.9 122.4 0.8 68.8 5.8 81 87 A C > - 0 0 9 -2,-0.5 3,-1.7 1,-0.1 51,-0.3 -0.858 8.2-171.3-102.1 94.5 1.3 67.4 9.3 82 88 A S T 3 S+ 0 0 60 -2,-0.9 51,-0.2 1,-0.3 -1,-0.1 0.563 76.0 70.2 -70.4 -12.7 -2.3 67.4 10.6 83 89 A G T 3 S- 0 0 18 49,-2.0 -1,-0.3 1,-0.2 50,-0.2 0.564 93.4-150.1 -79.7 -10.9 -1.3 66.5 14.1 84 90 A G E < -F 132 0B 31 -3,-1.7 48,-1.8 48,-0.7 2,-0.2 -0.233 39.6 -14.5 77.1-165.4 0.2 70.0 14.6 85 91 A E E > -F 131 0B 59 46,-0.2 3,-1.0 1,-0.1 46,-0.2 -0.527 48.2-133.5 -75.5 139.6 3.2 71.0 16.8 86 92 A L G > S+ 0 0 0 44,-3.5 3,-2.3 41,-0.8 4,-0.4 0.829 104.9 73.8 -47.4 -37.5 4.6 68.8 19.6 87 93 A F G > S+ 0 0 92 40,-1.3 3,-1.3 43,-0.3 -1,-0.2 0.873 91.6 53.5 -48.6 -43.2 4.4 72.0 21.6 88 94 A D G < S+ 0 0 118 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.396 99.1 62.1 -79.4 2.8 0.6 71.7 21.9 89 95 A R G < S+ 0 0 78 -3,-2.3 2,-0.7 -4,-0.1 -1,-0.3 0.400 87.3 89.1 -97.1 -1.9 0.9 68.1 23.2 90 96 A I S < S- 0 0 22 -3,-1.3 6,-0.2 -4,-0.4 105,-0.1 -0.871 73.7-145.4-102.2 109.8 2.7 69.5 26.2 91 97 A E B >> -H 95 0C 109 4,-2.7 4,-3.0 -2,-0.7 3,-2.5 -0.623 33.5-104.7 -73.1 119.9 0.4 70.5 29.1 92 98 A P T 34 S+ 0 0 105 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.183 101.0 0.8 -51.0 134.2 2.0 73.6 30.8 93 99 A D T 34 S+ 0 0 108 105,-2.8 105,-0.2 1,-0.1 106,-0.1 0.328 135.4 56.4 66.0 -1.5 3.5 72.6 34.2 94 100 A I T <4 S- 0 0 96 -3,-2.5 2,-0.5 1,-0.2 104,-0.3 0.717 77.7-162.6-122.3 -46.8 2.6 68.9 33.7 95 101 A G B < -H 91 0C 1 -4,-3.0 -4,-2.7 102,-0.3 101,-0.2 -0.836 37.6 -69.6 97.6-128.5 4.0 67.6 30.4 96 102 A M - 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0 0 64 -2,-0.3 3,-0.1 1,-0.1 -33,-0.1 -0.651 23.7-138.5 -81.0 141.0 11.7 74.8 30.5 201 207 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.846 72.3 0.8 -76.9 -30.6 14.5 74.6 33.1 202 208 A W - 0 0 9 -36,-0.2 7,-0.0 1,-0.1 8,-0.0 -0.978 56.9-122.7-151.0 160.1 16.2 78.0 32.4 203 209 A D S S- 0 0 121 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.877 101.4 -10.7 -65.2 -38.2 16.2 81.1 30.3 204 210 A Q S S- 0 0 67 2,-0.1 2,-2.1 -38,-0.1 -1,-0.3 -0.968 70.2-110.0-165.1 143.6 19.8 80.2 29.2 205 211 A P S S+ 0 0 3 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.364 70.6 129.8 -82.8 60.9 22.5 77.8 30.2 206 212 A S S > S- 0 0 13 -2,-2.1 3,-1.1 1,-0.1 7,-0.3 -0.788 70.3-115.5-112.8 158.0 24.8 80.4 31.7 207 213 A D T 3 S+ 0 0 90 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.853 114.9 57.1 -50.7 -42.0 26.7 80.7 35.1 208 214 A S T 3 S+ 0 0 95 4,-0.1 2,-0.7 5,-0.0 -1,-0.2 0.705 85.0 92.7 -68.8 -23.2 24.6 83.8 36.0 209 215 A C <> - 0 0 13 -3,-1.1 4,-2.3 1,-0.2 3,-0.5 -0.643 65.9-155.4 -76.5 113.3 21.3 81.9 35.6 210 216 A Q H > S+ 0 0 108 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.830 92.0 55.3 -59.0 -36.7 20.4 80.5 39.1 211 217 A E H > S+ 0 0 95 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.838 108.6 48.3 -68.5 -34.7 18.3 77.7 37.6 212 218 A Y H > S+ 0 0 2 -3,-0.5 4,-2.4 -8,-0.2 -2,-0.2 0.931 111.0 50.2 -66.2 -45.9 21.2 76.5 35.6 213 219 A S H X S+ 0 0 18 -4,-2.3 4,-1.8 -7,-0.3 -2,-0.2 0.903 107.5 55.7 -55.9 -42.3 23.5 76.7 38.7 214 220 A D H <>S+ 0 0 26 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.875 109.1 45.7 -57.5 -42.9 20.8 74.7 40.6 215 221 A W H ><5S+ 0 0 10 -4,-1.4 3,-2.0 3,-0.2 -2,-0.2 0.915 109.7 53.3 -67.5 -46.9 21.0 71.9 37.9 216 222 A K H 3<5S+ 0 0 66 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.825 108.6 52.9 -53.4 -34.4 24.9 71.9 37.9 217 223 A E T 3<5S- 0 0 115 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.217 117.3-117.5 -90.2 12.0 24.6 71.5 41.7 218 224 A K T < 5 + 0 0 129 -3,-2.0 2,-2.1 1,-0.2 -3,-0.2 0.732 54.5 161.0 59.6 32.9 22.3 68.4 41.2 219 225 A K > < + 0 0 57 -5,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.480 6.1 154.9 -82.4 70.5 19.3 70.1 43.0 220 226 A T T 3 + 0 0 41 -2,-2.1 8,-0.2 1,-0.3 -1,-0.2 0.375 58.1 76.7 -86.9 3.1 16.8 67.6 41.4 221 227 A Y T 3 S+ 0 0 154 -3,-0.1 -1,-0.3 4,-0.1 2,-0.2 0.366 86.9 77.0 -85.0 -2.3 14.4 68.2 44.3 222 228 A L S <> S- 0 0 64 -3,-1.3 4,-2.0 -8,-0.1 3,-0.3 -0.671 93.2 -53.4 -99.7 162.1 13.5 71.6 42.7 223 229 A N T 4 S+ 0 0 79 1,-0.3 -2,-0.1 2,-0.2 -1,-0.1 -0.491 115.7 19.0 -73.0 151.2 11.2 72.0 39.6 224 230 A P T >4 S+ 0 0 2 0, 0.0 3,-1.3 0, 0.0 -1,-0.3 -0.995 126.6 52.3 -80.4 -7.0 11.1 70.9 36.9 225 231 A W G >4 S+ 0 0 6 -3,-0.3 3,-1.8 1,-0.3 -2,-0.2 0.792 99.0 63.1 -65.4 -33.0 13.3 68.0 38.0 226 232 A K G 3< S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 -3,-0.1 0.756 99.2 56.2 -67.6 -23.0 11.2 66.9 41.0 227 233 A K G < S+ 0 0 76 -3,-1.3 2,-0.5 -5,-0.2 -1,-0.3 0.494 93.7 88.4 -78.0 -8.1 8.3 66.1 38.6 228 234 A I S < S- 0 0 13 -3,-1.8 -31,-0.1 -4,-0.2 -35,-0.0 -0.852 81.5-119.4-104.0 126.6 10.5 63.7 36.6 229 235 A D > - 0 0 77 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.180 28.6-111.0 -56.7 150.2 10.9 60.0 37.6 230 236 A S H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.782 111.9 57.5 -52.3 -36.8 14.5 58.8 38.4 231 237 A A H >> S+ 0 0 8 2,-0.2 4,-1.1 1,-0.2 3,-0.6 0.994 112.7 35.9 -67.3 -62.0 14.8 56.6 35.3 232 238 A P H 3> S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.879 115.1 59.7 -56.9 -35.6 14.2 59.4 32.6 233 239 A L H 3X S+ 0 0 15 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.868 98.4 57.2 -58.5 -38.0 16.1 61.8 34.9 234 240 A A H X S+ 0 0 0 -4,-1.1 4,-1.5 -3,-0.4 3,-0.7 0.931 109.5 51.4 -67.5 -46.5 19.2 60.0 31.0 236 242 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.873 102.9 60.3 -57.7 -39.6 18.8 63.8 31.3 237 243 A H H 3< S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.844 109.4 43.5 -55.3 -34.1 21.8 63.7 33.7 238 244 A K H << S+ 0 0 82 -4,-0.9 10,-2.2 -3,-0.7 3,-0.3 0.735 118.7 42.6 -83.6 -23.9 23.9 62.3 30.8 239 245 A I H < S+ 0 0 0 -4,-1.5 2,-1.8 1,-0.2 -2,-0.2 0.892 106.9 56.4 -88.5 -43.9 22.5 64.7 28.1 240 246 A L S < S+ 0 0 5 -4,-3.0 2,-0.5 -5,-0.2 -1,-0.2 -0.350 75.7 141.1 -92.2 56.8 22.5 68.0 30.0 241 247 A V - 0 0 37 -2,-1.8 6,-0.2 -3,-0.3 5,-0.1 -0.887 49.6-142.5-101.2 124.8 26.2 67.7 30.6 242 248 A E S S+ 0 0 87 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.878 85.2 69.6 -63.5 -46.2 28.0 71.0 30.3 243 249 A N S >> S- 0 0 94 1,-0.2 3,-1.8 -73,-0.1 4,-1.3 -0.669 73.9-153.9 -73.4 109.5 31.2 69.8 28.7 244 250 A P T 34 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.726 92.9 60.7 -61.4 -20.8 30.1 68.8 25.2 245 251 A S T 34 S+ 0 0 104 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.737 109.4 41.7 -73.8 -23.2 33.1 66.3 25.1 246 252 A A T <4 S+ 0 0 71 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.569 92.7 113.2 -94.7 -14.2 31.7 64.4 28.1 247 253 A R S < S- 0 0 10 -4,-1.3 -8,-0.2 -6,-0.2 -9,-0.1 -0.288 78.6 -97.5 -60.2 141.1 28.0 64.7 26.9 248 254 A I - 0 0 19 -10,-2.2 2,-0.2 -13,-0.1 -1,-0.1 -0.269 35.8-138.4 -57.0 139.9 26.3 61.4 25.9 249 255 A T > - 0 0 71 -3,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.514 25.9-105.8 -93.9 166.6 26.3 60.6 22.2 250 256 A I H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.914 119.6 57.3 -69.1 -38.6 23.2 59.2 20.4 251 257 A P H 4 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.890 111.9 44.3 -56.1 -33.4 24.6 55.6 20.1 252 258 A D H >4 S+ 0 0 67 -3,-0.2 3,-1.1 2,-0.2 4,-0.3 0.835 106.3 58.5 -80.5 -32.3 24.9 55.8 23.9 253 259 A I H >< S+ 0 0 0 -4,-2.1 3,-1.7 1,-0.2 6,-0.2 0.897 100.8 59.0 -54.4 -41.2 21.4 57.3 24.4 254 260 A K T 3< S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.611 104.5 50.6 -68.5 -10.8 20.2 54.1 22.6 255 261 A K T < S+ 0 0 151 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.450 83.8 120.3 -97.1 -4.4 21.8 52.0 25.4 256 262 A D <> - 0 0 6 -3,-1.7 4,-1.6 -4,-0.3 5,-0.1 -0.333 67.1-129.1 -68.9 143.7 20.2 54.0 28.2 257 263 A R T 4 S+ 0 0 194 1,-0.2 3,-0.3 2,-0.2 4,-0.2 0.928 107.4 42.3 -58.6 -51.6 17.9 52.0 30.6 258 264 A W T >4 S+ 0 0 1 -27,-0.3 3,-1.6 1,-0.2 -1,-0.2 0.904 109.0 60.1 -62.7 -43.1 14.8 54.4 30.4 259 265 A Y T 34 S+ 0 0 15 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.891 116.1 33.8 -47.7 -41.7 15.3 54.7 26.7 260 266 A N T 3< S+ 0 0 97 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.262 93.0 124.1 -99.1 8.7 14.8 50.9 26.4 261 267 A K < - 0 0 84 -3,-1.6 2,-0.5 -4,-0.2 -3,-0.1 -0.571 61.5-130.1 -80.4 125.7 12.3 50.6 29.3 262 268 A P + 0 0 125 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.658 37.7 179.8 -74.4 123.2 8.9 49.0 28.6 263 269 A L 0 0 46 -2,-0.5 0, 0.0 1,-0.1 0, 0.0 -0.634 360.0 360.0-113.6 170.4 6.2 51.3 29.9 264 270 A K 0 0 137 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 0.274 360.0 360.0 98.6 360.0 2.4 51.5 30.1