==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-APR-07 2YWP . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE CHK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.PARK . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 17.5 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 31 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 1 1 0 0 1 0 1 0 1 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 3 0 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 2 A A 0 0 147 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.8 -20.8 19.5 -41.4 2 3 A V > - 0 0 95 1,-0.1 3,-0.9 2,-0.1 27,-0.1 -0.386 360.0-118.3 -60.4 126.1 -17.1 18.9 -41.7 3 4 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.338 86.7 12.2 -68.1 146.8 -16.6 15.2 -42.8 4 5 A F T > S+ 0 0 116 1,-0.1 3,-0.5 2,-0.1 25,-0.5 0.484 81.6 129.5 67.6 7.5 -14.7 12.6 -40.7 5 6 A V T < + 0 0 52 -3,-0.9 2,-0.3 1,-0.3 25,-0.1 0.657 63.8 60.8 -67.6 -16.8 -14.7 14.9 -37.6 6 7 A E T 3 S+ 0 0 171 1,-0.1 2,-0.3 21,-0.1 -1,-0.3 -0.371 80.1 101.5-106.2 53.6 -16.0 12.2 -35.3 7 8 A D < + 0 0 62 -3,-0.5 21,-2.0 -2,-0.3 2,-0.5 -0.678 43.6 177.2-141.0 84.9 -13.2 9.7 -35.8 8 9 A W E -A 27 0A 67 -2,-0.3 2,-0.3 19,-0.3 19,-0.3 -0.764 20.4-144.5 -90.9 126.5 -10.6 9.5 -33.1 9 10 A D E -A 26 0A 93 17,-3.6 17,-3.2 -2,-0.5 2,-1.5 -0.720 15.4-127.0 -90.1 139.9 -7.9 6.9 -33.6 10 11 A L E +A 25 0A 86 -2,-0.3 15,-0.3 15,-0.3 14,-0.1 -0.606 36.5 172.1 -89.1 78.7 -6.6 5.1 -30.5 11 12 A V E + 0 0 85 -2,-1.5 2,-0.2 13,-1.4 -1,-0.2 0.962 58.3 12.3 -49.4 -74.4 -2.9 5.7 -31.0 12 13 A Q E -A 24 0A 106 12,-0.6 12,-3.4 1,-0.0 2,-1.0 -0.678 68.2-120.5-111.7 163.6 -1.5 4.4 -27.7 13 14 A T E - 0 0 71 10,-0.3 10,-0.3 -2,-0.2 9,-0.1 -0.647 33.5-178.2-100.4 74.2 -2.7 2.4 -24.7 14 15 A L E + 0 0 70 -2,-1.0 2,-0.2 7,-0.1 9,-0.2 0.822 62.4 9.2 -37.0 -60.7 -2.1 4.9 -21.9 15 16 A G E -A 22 0A 23 7,-1.3 7,-1.2 2,-0.0 0, 0.0 -0.719 52.5-175.8-121.9 175.5 -3.1 2.9 -18.9 16 17 A E + 0 0 164 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 -0.192 38.4 116.4-170.4 64.8 -4.1 -0.8 -18.3 17 18 A G S S- 0 0 55 3,-0.2 -2,-0.0 0, 0.0 0, 0.0 -0.121 78.4 -47.2-118.4-148.7 -5.3 -1.6 -14.8 18 19 A A S S+ 0 0 108 1,-0.1 3,-0.1 -2,-0.1 0, 0.0 0.847 127.6 55.8 -53.9 -37.3 -8.1 -2.8 -12.5 19 20 A Y S S- 0 0 90 1,-0.1 21,-0.3 20,-0.1 2,-0.1 0.938 112.7 -93.7 -59.0 -98.3 -10.3 -0.3 -14.4 20 21 A G - 0 0 26 19,-0.1 2,-0.4 0, 0.0 -3,-0.2 -0.235 59.7 -44.1-148.9-117.0 -10.1 -1.2 -18.0 21 22 A E E - B 0 38A 76 17,-1.0 17,-3.2 -5,-0.2 2,-0.6 -0.999 40.3-155.3-138.1 129.7 -7.9 0.2 -20.8 22 23 A V E -AB 15 37A 37 -7,-1.2 -7,-1.3 -2,-0.4 2,-0.3 -0.932 15.8-169.6-111.0 115.5 -7.1 3.8 -21.5 23 24 A Q E - B 0 36A 18 13,-3.2 13,-3.6 -2,-0.6 2,-1.0 -0.779 26.5-123.2-106.0 149.2 -6.1 4.7 -25.1 24 25 A L E -AB 12 35A 10 -12,-3.4 -13,-1.4 -2,-0.3 -12,-0.6 -0.785 34.8-160.5 -88.7 100.7 -4.7 7.9 -26.4 25 26 A A E -AB 10 34A 1 9,-3.0 9,-2.9 -2,-1.0 2,-0.4 -0.724 8.2-167.4 -90.9 131.1 -7.2 8.9 -29.1 26 27 A V E -AB 9 33A 30 -17,-3.2 -17,-3.6 -2,-0.4 7,-0.2 -0.947 26.7-112.9-115.7 134.6 -6.2 11.3 -31.8 27 28 A N E -A 8 0A 4 5,-2.3 -19,-0.3 -2,-0.4 4,-0.2 -0.428 13.5-139.3 -70.5 139.4 -8.8 12.9 -34.1 28 29 A R S S+ 0 0 128 -21,-2.0 -23,-0.1 -24,-0.3 -1,-0.1 0.888 98.8 23.5 -61.8 -45.9 -8.8 12.0 -37.8 29 30 A V S S+ 0 0 62 -25,-0.5 -24,-0.1 -22,-0.1 -1,-0.1 0.950 137.2 26.0 -86.2 -61.0 -9.5 15.5 -39.1 30 31 A T S S- 0 0 83 -25,-0.1 -2,-0.1 2,-0.1 3,-0.1 0.821 86.7-139.7 -74.0 -38.3 -8.3 17.9 -36.3 31 32 A E + 0 0 143 1,-0.3 -3,-0.1 -4,-0.2 -1,-0.1 0.424 40.7 162.3 86.3 1.3 -5.7 15.6 -34.7 32 33 A E - 0 0 95 -6,-0.2 -5,-2.3 1,-0.1 -1,-0.3 -0.333 34.3-136.2 -52.9 126.7 -6.9 16.8 -31.3 33 34 A A E +B 26 0A 36 -7,-0.2 52,-0.3 -3,-0.1 2,-0.3 -0.632 29.9 172.2 -89.0 150.3 -5.4 14.2 -28.9 34 35 A V E -B 25 0A 1 -9,-2.9 -9,-3.0 -2,-0.2 2,-0.4 -0.987 32.6-115.1-154.3 156.1 -7.6 12.8 -26.1 35 36 A A E -BC 24 83A 12 48,-1.9 48,-2.2 -2,-0.3 2,-0.5 -0.784 27.6-160.5 -94.7 135.9 -7.5 10.1 -23.5 36 37 A V E -BC 23 82A 7 -13,-3.6 -13,-3.2 -2,-0.4 2,-0.6 -0.948 4.2-159.4-126.1 116.0 -10.1 7.4 -23.8 37 38 A K E -BC 22 81A 12 44,-1.5 44,-2.6 -2,-0.5 2,-0.9 -0.800 5.5-157.9 -91.7 122.3 -11.0 5.2 -20.9 38 39 A I E -BC 21 80A 22 -17,-3.2 -17,-1.0 -2,-0.6 2,-0.3 -0.794 14.7-171.8-104.0 89.8 -12.6 1.9 -22.0 39 40 A V E - C 0 79A 13 40,-1.9 40,-2.3 -2,-0.9 2,-0.7 -0.625 14.3-140.8 -84.1 140.8 -14.6 0.8 -18.9 40 41 A D E - C 0 78A 72 -21,-0.3 2,-1.4 -2,-0.3 7,-0.4 -0.818 8.9-164.1-110.2 98.9 -16.1 -2.7 -19.1 41 42 A M + 0 0 22 36,-1.7 2,-0.1 -2,-0.7 -2,-0.0 -0.630 35.3 164.4 -76.8 94.0 -19.6 -3.1 -17.5 42 43 A K > + 0 0 106 -2,-1.4 3,-0.7 36,-0.0 4,-0.5 -0.362 36.8 4.2-106.2-173.4 -19.6 -6.9 -17.3 43 44 A R T 3 S- 0 0 196 1,-0.2 -2,-0.0 -2,-0.1 0, 0.0 -0.131 100.1 -77.2 41.5-107.1 -21.5 -9.7 -15.6 44 45 A A T 3 S+ 0 0 89 -2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.165 116.5 45.5-178.5 38.2 -24.4 -8.1 -13.7 45 46 A V S < S+ 0 0 109 -3,-0.7 -2,-0.1 0, 0.0 2,-0.1 0.047 100.3 60.5-179.4 41.2 -23.2 -6.5 -10.4 46 47 A D S >> S+ 0 0 60 -4,-0.5 3,-1.4 0, 0.0 4,-1.3 -0.006 104.7 3.4-137.3-115.8 -20.1 -4.5 -11.3 47 48 A C H 3> S+ 0 0 5 -7,-0.4 4,-2.4 1,-0.3 5,-0.5 0.687 100.6 89.2 -58.6 -26.0 -19.4 -1.6 -13.7 48 49 A P H 34 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -7,-0.1 0.748 113.6 17.6 -46.9 -19.4 -23.1 -1.2 -14.8 49 50 A E H <> S+ 0 0 97 -3,-1.4 4,-1.5 2,-0.1 5,-0.3 0.626 115.9 71.4-118.3 -35.8 -23.2 1.2 -11.8 50 51 A N H X S+ 0 0 74 -4,-1.3 4,-0.8 1,-0.2 -3,-0.2 0.829 107.4 38.8 -50.7 -38.7 -19.4 1.8 -11.3 51 52 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.723 104.2 65.8 -88.9 -26.0 -19.3 3.9 -14.4 52 53 A K H > S+ 0 0 78 -5,-0.5 4,-1.7 2,-0.2 -2,-0.2 0.888 106.7 42.9 -64.5 -39.1 -22.6 5.7 -14.2 53 54 A K H X S+ 0 0 95 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.885 113.2 51.3 -73.8 -41.5 -21.5 7.6 -11.0 54 55 A E H X S+ 0 0 7 -4,-0.8 4,-1.7 -5,-0.3 -2,-0.2 0.898 115.8 43.2 -62.2 -39.4 -18.0 8.3 -12.4 55 56 A I H X S+ 0 0 6 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.806 110.8 54.9 -75.5 -30.8 -19.7 9.7 -15.6 56 57 A C H < S+ 0 0 86 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.852 111.7 43.0 -72.3 -34.5 -22.3 11.6 -13.6 57 58 A I H >X S+ 0 0 6 -4,-2.1 3,-2.0 1,-0.2 4,-1.6 0.906 107.3 59.3 -75.9 -44.6 -19.8 13.5 -11.6 58 59 A N H 3< S+ 0 0 3 -4,-1.7 11,-0.3 1,-0.3 -1,-0.2 0.811 95.6 65.9 -53.2 -31.2 -17.5 14.2 -14.5 59 60 A K T 3< S+ 0 0 117 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.1 0.212 107.4 40.7 -77.9 16.1 -20.4 16.0 -16.1 60 61 A M T <4 S+ 0 0 91 -3,-2.0 -2,-0.2 63,-0.0 -1,-0.2 0.585 88.9 100.6-125.3 -46.0 -20.2 18.6 -13.3 61 62 A L < + 0 0 16 -4,-1.6 8,-0.4 1,-0.1 59,-0.0 -0.166 35.2 160.7 -52.4 130.8 -16.4 19.1 -12.9 62 63 A N + 0 0 122 6,-0.1 2,-0.3 -3,-0.0 -1,-0.1 -0.432 22.8 119.6-155.9 74.8 -15.0 22.2 -14.5 63 64 A H > - 0 0 35 3,-0.1 3,-2.0 -2,-0.0 53,-0.0 -0.995 62.8-126.7-140.0 142.4 -11.6 23.4 -13.2 64 65 A E T 3 S+ 0 0 124 -2,-0.3 52,-0.1 1,-0.3 4,-0.1 0.332 113.2 56.4 -70.7 8.6 -8.3 23.8 -15.1 65 66 A N T 3 S+ 0 0 8 79,-0.1 80,-2.7 50,-0.1 2,-0.4 0.068 99.0 73.0-123.1 16.2 -6.8 21.6 -12.3 66 67 A V B < S-e 145 0B 1 -3,-2.0 2,-0.5 78,-0.3 80,-0.2 -0.979 98.1 -96.8-131.0 141.6 -9.2 18.8 -13.0 67 68 A V - 0 0 8 78,-2.3 -3,-0.1 -2,-0.4 -6,-0.1 -0.458 48.0-121.0 -62.5 113.3 -9.1 16.5 -16.0 68 69 A K - 0 0 112 -2,-0.5 16,-1.9 15,-0.1 2,-0.5 -0.240 20.2-137.4 -58.9 139.9 -11.6 18.0 -18.5 69 70 A F E +D 83 0A 38 -8,-0.4 14,-0.2 -11,-0.3 3,-0.1 -0.873 24.2 174.3-104.7 129.2 -14.5 15.7 -19.5 70 71 A Y E - 0 0 85 12,-4.2 2,-0.3 -2,-0.5 -1,-0.2 0.877 51.8 -71.0 -94.3 -71.5 -15.6 15.6 -23.2 71 72 A G E -D 82 0A 21 11,-0.5 11,-3.7 2,-0.0 -1,-0.3 -0.895 36.8-117.9-166.4-165.8 -18.3 12.9 -23.4 72 73 A H E -D 81 0A 38 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.963 7.8-149.2-149.2 163.3 -19.1 9.2 -23.3 73 74 A R E -D 80 0A 121 7,-1.4 7,-1.7 -2,-0.3 2,-1.1 -0.906 7.9-151.0-144.7 113.5 -20.5 6.5 -25.6 74 75 A R E +D 79 0A 138 -2,-0.3 2,-0.9 5,-0.2 5,-0.2 -0.678 21.4 172.6 -86.3 94.7 -22.5 3.5 -24.4 75 76 A E E > -D 78 0A 84 3,-2.6 3,-2.3 -2,-1.1 2,-0.6 -0.823 61.8 -73.1-105.4 96.4 -21.9 0.7 -26.9 76 77 A G T 3 S- 0 0 71 -2,-0.9 -35,-0.0 1,-0.3 -1,-0.0 -0.401 115.2 -16.0 58.9-105.5 -23.4 -2.5 -25.5 77 78 A N T 3 S+ 0 0 105 -2,-0.6 -36,-1.7 -37,-0.0 2,-0.6 0.610 121.4 89.7-103.1 -20.1 -21.1 -3.4 -22.7 78 79 A I E < -CD 40 75A 66 -3,-2.3 -3,-2.6 -38,-0.2 2,-0.5 -0.713 56.6-170.3 -84.9 122.3 -18.2 -1.1 -23.8 79 80 A Q E -CD 39 74A 0 -40,-2.3 -40,-1.9 -2,-0.6 2,-0.6 -0.958 4.5-160.9-113.8 122.4 -18.3 2.4 -22.3 80 81 A Y E -CD 38 73A 49 -7,-1.7 -7,-1.4 -2,-0.5 2,-0.4 -0.918 2.8-158.9-108.3 120.9 -15.9 4.9 -23.7 81 82 A L E -CD 37 72A 0 -44,-2.6 -44,-1.5 -2,-0.6 2,-0.9 -0.828 8.8-145.6-100.9 134.4 -15.1 8.1 -21.7 82 83 A F E +CD 36 71A 36 -11,-3.7 -12,-4.2 -2,-0.4 -11,-0.5 -0.830 35.1 159.5-101.2 99.6 -13.7 11.1 -23.4 83 84 A L E -CD 35 69A 21 -48,-2.2 -48,-1.9 -2,-0.9 -14,-0.2 -0.701 43.5 -74.4-117.4 169.6 -11.4 12.8 -21.0 84 85 A E - 0 0 16 -16,-1.9 2,-0.5 -2,-0.2 -1,-0.2 -0.113 42.6-122.4 -59.5 154.2 -8.5 15.3 -21.3 85 86 A Y - 0 0 52 -52,-0.3 2,-0.6 -51,-0.1 -1,-0.1 -0.893 20.8-168.0-104.5 130.4 -5.1 14.3 -22.6 86 87 A C > + 0 0 15 -2,-0.5 3,-2.1 52,-0.1 51,-0.3 -0.788 12.4 176.0-120.4 88.0 -2.1 14.8 -20.3 87 88 A S T 3 S+ 0 0 60 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.583 76.0 77.9 -65.7 -8.5 1.2 14.3 -22.2 88 89 A G T 3 S- 0 0 12 49,-1.7 -1,-0.3 1,-0.2 50,-0.3 0.766 92.3-152.4 -71.5 -23.9 2.8 15.4 -19.0 89 90 A G E < -F 137 0B 27 -3,-2.1 48,-2.0 48,-0.9 2,-0.3 -0.580 40.5 -21.5 88.4-151.5 2.2 11.9 -17.7 90 91 A E E > -F 136 0B 67 -2,-0.2 3,-0.8 46,-0.2 46,-0.2 -0.768 45.2-137.1 -99.8 142.5 1.8 11.1 -14.1 91 92 A L G > S+ 0 0 1 44,-2.7 3,-2.3 41,-0.8 42,-0.2 0.894 111.0 64.9 -57.2 -37.9 3.1 13.3 -11.2 92 93 A F G > S+ 0 0 94 40,-1.5 3,-1.5 43,-0.3 -1,-0.3 0.872 93.0 59.4 -49.9 -41.2 4.1 9.9 -9.9 93 94 A D G < S+ 0 0 105 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.147 100.3 58.1 -77.9 20.3 6.4 9.7 -12.8 94 95 A R G < S+ 0 0 89 -3,-2.3 2,-0.6 -5,-0.0 -1,-0.3 0.170 80.6 96.5-131.4 11.1 8.2 12.8 -11.7 95 96 A I S < S- 0 0 25 -3,-1.5 6,-0.2 -4,-0.1 105,-0.1 -0.932 73.8-133.2-107.3 115.9 9.2 11.7 -8.2 96 97 A E B >> -H 100 0C 116 4,-2.8 3,-3.3 -2,-0.6 4,-2.1 -0.569 38.7-100.7 -69.6 119.2 12.8 10.4 -8.1 97 98 A P T 34 S- 0 0 94 0, 0.0 107,-0.2 0, 0.0 -1,-0.1 -0.145 102.5 -5.6 -44.4 123.0 12.6 7.2 -6.2 98 99 A D T 34 S+ 0 0 93 105,-2.7 105,-0.2 1,-0.1 106,-0.2 0.463 134.9 63.0 68.4 4.2 13.8 7.9 -2.6 99 100 A I T <4 S- 0 0 110 -3,-3.3 2,-0.5 104,-0.2 104,-0.2 0.714 77.1-157.5-121.0 -53.8 14.7 11.5 -3.5 100 101 A G B < -H 96 0C 3 -4,-2.1 -4,-2.8 102,-0.3 101,-0.2 -0.904 31.6 -72.3 110.6-128.0 11.7 13.5 -4.6 101 102 A M - 0 0 29 99,-0.7 5,-0.1 -2,-0.5 -6,-0.1 -0.943 64.4 -55.5-161.5 168.9 12.0 16.6 -6.8 102 103 A P >> - 0 0 75 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.293 51.8-122.2 -54.0 135.6 13.2 20.2 -6.3 103 104 A E H 3> S+ 0 0 51 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.789 109.6 59.5 -52.2 -32.9 11.4 21.9 -3.4 104 105 A P H 3> S+ 0 0 36 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.921 104.0 49.0 -64.0 -43.9 10.1 24.6 -5.7 105 106 A D H <> S+ 0 0 71 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.831 106.7 56.0 -64.7 -35.3 8.3 22.2 -8.0 106 107 A A H X S+ 0 0 0 -4,-1.4 4,-3.3 1,-0.2 5,-0.2 0.950 106.7 51.3 -62.1 -48.1 6.6 20.4 -5.1 107 108 A Q H X S+ 0 0 18 -4,-1.8 4,-1.9 162,-0.3 -2,-0.2 0.911 110.0 48.1 -54.4 -49.0 5.2 23.7 -4.0 108 109 A R H >X S+ 0 0 84 -4,-1.9 4,-1.9 1,-0.2 3,-1.4 0.993 114.4 45.7 -56.0 -63.7 3.8 24.5 -7.5 109 110 A F H 3X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.3 -2,-0.2 0.861 111.1 53.7 -46.2 -44.1 2.2 21.0 -7.8 110 111 A F H 3X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.3 0.834 105.9 53.9 -63.7 -30.9 0.9 21.3 -4.2 111 112 A H H S+ 0 0 0 -4,-3.9 5,-1.9 1,-0.2 -2,-0.2 0.946 117.2 45.0 -44.9 -61.1 -14.0 19.8 -6.1 121 122 A H H ><5S+ 0 0 7 -4,-3.0 3,-2.2 3,-0.2 -1,-0.2 0.923 104.4 64.5 -50.7 -50.8 -14.9 20.3 -2.4 122 123 A G H 3<5S+ 0 0 50 -4,-3.5 2,-1.7 -5,-0.3 -1,-0.2 0.921 105.8 43.6 -36.3 -66.3 -16.5 23.6 -3.4 123 124 A I T 3<5S- 0 0 59 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 -0.183 125.2-104.1 -77.9 45.7 -19.1 21.6 -5.4 124 125 A G T < 5S+ 0 0 1 -3,-2.2 30,-2.8 -2,-1.7 31,-1.3 0.613 78.6 131.0 40.2 32.3 -19.5 19.0 -2.6 125 126 A I E < -I 153 0D 0 -5,-1.9 2,-0.5 28,-0.3 28,-0.2 -0.936 39.7-161.4-115.7 130.4 -17.4 16.3 -4.3 126 127 A T E -I 152 0D 0 26,-2.6 26,-1.4 -2,-0.4 60,-0.1 -0.941 10.7-153.7-112.1 128.1 -14.6 14.2 -2.7 127 128 A H - 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0 0 0 14,-0.1 3,-0.9 1,-0.1 4,-0.3 -0.324 24.2-113.1 -71.5 159.7 -6.4 8.9 6.4 175 176 A P T >> S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.5 0.814 110.2 61.1 -60.3 -38.6 -6.3 7.4 9.9 176 177 A E H 3> S+ 0 0 7 1,-0.3 4,-2.1 71,-0.2 3,-0.3 0.703 91.3 67.4 -66.6 -21.6 -9.9 7.9 10.7 177 178 A L H <4 S+ 0 0 12 -3,-0.9 -1,-0.3 1,-0.2 6,-0.0 0.711 108.4 38.9 -73.7 -15.3 -11.1 5.7 7.8 178 179 A L H <4 S+ 0 0 64 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.474 125.7 34.5-108.4 -6.0 -9.6 2.7 9.6 179 180 A K H < S+ 0 0 131 -4,-0.5 2,-0.4 -3,-0.3 -2,-0.2 0.600 108.7 61.5-122.8 -19.1 -10.5 3.6 13.2 180 181 A R < - 0 0 139 -4,-2.1 -1,-0.2 -5,-0.2 3,-0.1 -0.926 62.9-144.5-120.3 139.5 -13.9 5.3 12.9 181 182 A R S S+ 0 0 203 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.914 89.8 25.1 -64.0 -44.6 -17.3 4.1 11.6 182 183 A E S S+ 0 0 88 -18,-0.0 2,-0.3 -20,-0.0 -18,-0.2 -0.940 71.7 170.1-125.4 147.9 -18.2 7.5 10.2 183 184 A F B -K 163 0F 14 -20,-2.4 -20,-3.8 -2,-0.3 2,-0.3 -0.995 37.6 -95.4-155.9 159.0 -16.2 10.5 9.0 184 185 A H > - 0 0 84 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.593 31.2-141.7 -75.6 128.0 -16.1 13.8 7.2 185 186 A A H >> S+ 0 0 1 -24,-0.4 4,-0.9 -2,-0.3 3,-0.7 0.878 90.5 56.8 -57.5 -48.3 -15.1 13.5 3.5 186 187 A E H >> S+ 0 0 62 1,-0.2 4,-1.2 2,-0.2 3,-1.2 0.904 100.6 52.7 -56.1 -52.0 -13.0 16.6 3.2 187 188 A P H 3> S+ 0 0 29 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.725 104.3 59.4 -61.3 -18.5 -10.3 16.0 5.9 188 189 A V H X S+ 0 0 4 -4,-1.2 4,-2.9 1,-0.2 3,-1.0 0.946 111.0 49.2 -67.3 -48.9 6.2 11.8 -1.4 200 201 A M H 3< S+ 0 0 0 -4,-3.1 -99,-0.7 1,-0.2 -1,-0.2 0.733 118.6 40.5 -60.6 -25.3 7.0 14.8 -3.6 201 202 A L H 3< S+ 0 0 13 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.426 130.8 22.1-105.8 -0.7 9.6 15.9 -1.0 202 203 A A H << S- 0 0 2 -3,-1.0 -102,-0.3 -4,-0.7 -3,-0.2 0.397 88.9-127.7-142.5 -8.1 11.2 12.6 -0.0 203 204 A G S < S+ 0 0 14 -4,-2.9 -105,-2.7 -104,-0.2 2,-0.3 0.714 81.8 81.9 62.6 18.0 10.5 10.2 -2.9 204 205 A E S S- 0 0 70 -6,-0.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.987 79.4-108.5-150.9 161.5 9.1 7.7 -0.4 205 206 A L - 0 0 64 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.798 20.0-136.0 -98.3 129.7 5.9 6.9 1.6 206 207 A P S S- 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.797 77.6 -18.7 -47.9 -38.6 5.7 7.5 5.4 207 208 A W - 0 0 7 -36,-0.1 7,-0.0 9,-0.1 8,-0.0 -0.986 57.0-108.0-165.5 168.1 4.0 4.1 6.1 208 209 A D S S- 0 0 98 1,-0.3 -36,-0.1 -2,-0.3 -1,-0.1 0.830 103.7 -12.0 -72.4 -33.8 2.1 1.2 4.7 209 210 A Q S S- 0 0 70 2,-0.2 2,-2.9 -38,-0.1 -1,-0.3 -0.926 73.9-100.7-168.3 143.9 -1.0 2.4 6.5 210 211 A P S S+ 0 0 5 0, 0.0 2,-0.4 0, 0.0 -32,-0.2 -0.278 77.9 119.4 -66.9 60.1 -2.0 5.0 9.2 211 212 A S S > S- 0 0 22 -2,-2.9 3,-3.2 1,-0.1 7,-0.2 -0.989 74.3-120.1-134.4 140.0 -2.2 2.5 12.1 212 213 A D T 3 S+ 0 0 121 -2,-0.4 6,-0.2 1,-0.3 -1,-0.1 0.817 111.2 68.4 -36.8 -45.9 -0.4 2.1 15.4 213 214 A S T 3 S+ 0 0 99 1,-0.1 2,-0.7 4,-0.1 -1,-0.3 0.476 84.4 90.3 -58.2 0.6 0.7 -1.3 14.3 214 215 A C S X> S- 0 0 11 -3,-3.2 4,-1.6 1,-0.2 3,-0.7 -0.833 74.2-144.2-112.5 101.1 2.9 0.5 11.7 215 216 A Q H 3> S+ 0 0 114 -2,-0.7 4,-1.7 1,-0.3 3,-0.3 0.673 95.2 37.5 -16.9 -70.1 6.4 1.4 12.9 216 217 A E H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.909 110.1 59.5 -64.4 -43.5 6.9 4.8 11.3 217 218 A Y H <> S+ 0 0 2 -3,-0.7 4,-0.6 1,-0.2 -1,-0.2 0.882 109.6 47.1 -53.6 -35.3 3.3 6.0 11.7 218 219 A S H >X S+ 0 0 24 -4,-1.6 4,-0.9 -3,-0.3 3,-0.6 0.884 108.8 51.2 -72.8 -40.7 3.9 5.6 15.4 219 220 A D H 3X>S+ 0 0 36 -4,-1.7 5,-3.8 1,-0.3 4,-1.0 0.718 104.7 59.5 -69.5 -19.2 7.3 7.3 15.5 220 221 A W H 3<5S+ 0 0 15 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.755 106.8 46.4 -76.4 -26.7 5.6 10.2 13.6 221 222 A K H <<5S+ 0 0 87 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.634 109.7 53.1 -86.6 -18.9 3.3 10.4 16.6 222 223 A E H <5S- 0 0 127 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.760 115.7-125.0 -82.8 -23.5 6.4 10.2 18.7 223 224 A K T <5 + 0 0 151 -4,-1.0 2,-2.3 -5,-0.1 -3,-0.2 0.711 52.1 161.0 83.9 28.3 7.6 13.1 16.6 224 225 A K < + 0 0 62 -5,-3.8 4,-0.3 1,-0.2 6,-0.2 -0.237 9.8 148.0 -75.5 52.4 10.7 11.2 15.7 225 226 A T + 0 0 43 -2,-2.3 -1,-0.2 -5,-0.1 3,-0.2 0.546 35.9 118.6 -65.6 -3.5 11.4 13.4 12.6 226 227 A Y S S- 0 0 139 1,-0.2 2,-2.0 -3,-0.2 4,-0.2 -0.384 96.3 -31.1 -67.7 143.0 15.1 12.7 13.3 227 228 A L S S+ 0 0 138 4,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.429 114.0 115.6 21.9 11.0 17.1 10.9 10.6 228 229 A N S > S- 0 0 35 -2,-2.0 3,-2.3 -4,-0.3 2,-1.8 -0.727 93.6 -66.8-100.7 150.9 13.7 9.2 9.7 229 230 A P T 3 S+ 0 0 32 0, 0.0 3,-0.4 0, 0.0 -25,-0.1 0.379 135.4 56.0 -7.7 -27.0 11.8 9.7 6.4 230 231 A W T > S+ 0 0 3 -2,-1.8 3,-0.8 -6,-0.2 -3,-0.1 0.337 80.7 88.5 -99.3 5.0 11.1 13.4 7.2 231 232 A K T < S+ 0 0 118 -3,-2.3 -1,-0.2 1,-0.2 -4,-0.1 0.582 85.5 56.7 -76.1 -9.4 14.8 14.1 7.7 232 233 A K T 3 S+ 0 0 77 -3,-0.4 2,-0.3 -4,-0.2 -1,-0.2 0.548 93.5 85.0 -94.7 -12.6 14.8 14.8 3.9 233 234 A I S < S- 0 0 13 -3,-0.8 2,-0.1 1,-0.1 -31,-0.1 -0.733 82.6-118.7 -95.1 138.7 12.0 17.5 4.3 234 235 A D > - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.413 27.4-110.4 -74.9 152.6 12.9 21.0 5.3 235 236 A S H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.794 113.7 57.0 -53.2 -32.8 11.5 22.4 8.5 236 237 A A H >> S+ 0 0 14 2,-0.2 4,-1.4 1,-0.2 3,-0.8 1.000 115.5 32.3 -64.8 -65.6 9.2 24.8 6.6 237 238 A P H 3> S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.735 117.6 59.8 -65.0 -16.1 7.3 22.2 4.6 238 239 A L H 3X S+ 0 0 17 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.856 99.6 55.2 -77.1 -32.8 7.8 19.8 7.5 239 240 A A H > S- 0 0 84 1,-0.2 3,-1.9 2,-0.1 4,-0.8 -0.342 74.5-152.9 -53.2 110.3 -7.7 13.7 15.1 249 250 A P T 34 S+ 0 0 43 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.803 93.6 57.9 -59.7 -23.8 -9.5 14.6 11.9 250 251 A S T 34 S+ 0 0 106 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.584 108.2 44.6 -81.1 -11.5 -11.2 17.4 13.9 251 252 A A T <4 S+ 0 0 60 -3,-1.9 -1,-0.2 2,-0.0 -3,-0.1 0.424 91.4 113.1-109.1 -3.5 -7.9 18.9 14.8 252 253 A R S < S- 0 0 15 -4,-0.8 -8,-0.2 -3,-0.3 2,-0.2 -0.018 75.5 -98.9 -61.3 171.1 -6.4 18.6 11.3 253 254 A I - 0 0 18 -10,-0.8 2,-0.4 -13,-0.1 -1,-0.1 -0.481 36.1-133.2 -88.7 163.8 -5.6 21.7 9.3 254 255 A T >> - 0 0 71 -2,-0.2 4,-1.6 1,-0.1 3,-0.6 -0.916 23.0-108.7-120.7 151.8 -8.1 22.8 6.6 255 256 A I H >> S+ 0 0 14 -2,-0.4 4,-1.5 1,-0.3 3,-0.6 0.864 119.0 57.0 -42.3 -43.3 -7.5 23.7 3.1 256 257 A P H >> S+ 0 0 83 0, 0.0 4,-0.6 0, 0.0 3,-0.6 0.954 110.1 42.0 -58.3 -48.3 -8.2 27.3 4.0 257 258 A D H <4 S+ 0 0 93 -3,-0.6 -2,-0.2 1,-0.2 -4,-0.0 0.633 105.0 65.5 -73.2 -12.2 -5.6 27.5 6.7 258 259 A I H X< S+ 0 0 0 -4,-1.6 3,-1.3 -3,-0.6 -1,-0.2 0.839 99.4 53.4 -73.5 -33.4 -3.1 25.6 4.4 259 260 A K H << S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.749 106.2 53.0 -69.8 -24.2 -3.3 28.7 2.2 260 261 A K T 3< S+ 0 0 172 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.380 87.6 118.5 -90.0 3.0 -2.4 30.6 5.3 261 262 A D <> - 0 0 5 -3,-1.3 4,-1.0 1,-0.1 -3,-0.1 -0.397 66.9-131.5 -72.4 145.7 0.7 28.3 5.9 262 263 A R T >4 S+ 0 0 189 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.965 104.8 40.6 -61.8 -58.1 4.2 29.8 5.8 263 264 A W G >4 S+ 0 0 1 -27,-0.3 3,-1.1 1,-0.3 -1,-0.2 0.854 109.8 61.8 -57.8 -37.9 5.9 27.4 3.5 264 265 A Y G 34 S+ 0 0 10 1,-0.3 -1,-0.3 -6,-0.2 -2,-0.2 0.772 115.1 33.7 -59.4 -29.3 2.8 27.3 1.3 265 266 A N G << S+ 0 0 100 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.245 89.6 115.0-114.1 13.4 3.3 31.1 0.7 266 267 A K S < S- 0 0 44 -3,-1.1 -5,-0.0 -4,-0.3 -3,-0.0 -0.709 73.8-102.8 -85.8 130.5 7.1 31.3 0.8 267 268 A P S S- 0 0 106 0, 0.0 2,-5.2 0, 0.0 -1,-0.1 -0.181 79.7 -28.5 -56.5 143.3 8.6 32.4 -2.6 268 269 A L 0 0 113 1,-0.3 -161,-0.2 -164,-0.1 -160,-0.2 -0.068 360.0 360.0 45.1 -52.5 10.3 29.9 -5.0 269 270 A K 0 0 103 -2,-5.2 -1,-0.3 -162,-0.1 -162,-0.3 0.969 360.0 360.0 -56.9 360.0 11.3 27.7 -2.1