==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JAN-07 2E9U . 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) . 14123.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 69.9 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 . 50 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 0.7 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 . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.3 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 . 3 1.1 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 1 0 1 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 2 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 2 A A 0 0 147 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.2 -20.2 20.4 -40.5 2 3 A V > - 0 0 90 1,-0.1 3,-0.8 3,-0.1 27,-0.1 -0.598 360.0-113.6 -81.1 137.2 -16.9 19.0 -41.7 3 4 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.304 93.0 16.4 -69.3 152.9 -16.9 15.3 -42.7 4 5 A F T > S+ 0 0 114 1,-0.1 3,-2.5 25,-0.1 25,-0.3 0.300 82.8 122.9 69.8 -9.5 -14.9 12.6 -40.7 5 6 A V T < + 0 0 38 -3,-0.8 -1,-0.1 1,-0.3 -3,-0.1 0.390 69.0 61.6 -64.7 8.3 -14.6 15.0 -37.7 6 7 A E T 3 S+ 0 0 154 21,-0.0 2,-0.5 2,-0.0 -1,-0.3 0.395 83.4 92.9-112.2 -2.3 -16.3 12.2 -35.7 7 8 A D < - 0 0 69 -3,-2.5 21,-2.8 2,-0.0 2,-0.4 -0.838 51.9-173.1-101.1 126.6 -13.7 9.5 -36.2 8 9 A W E -A 27 0A 70 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.950 12.6-144.5-119.3 136.4 -10.9 9.1 -33.7 9 10 A D E -A 26 0A 101 17,-2.9 17,-2.4 -2,-0.4 2,-0.9 -0.770 16.6-125.5 -99.7 143.7 -7.9 6.8 -34.0 10 11 A L E +A 25 0A 114 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.773 31.1 173.7 -90.5 103.5 -6.3 4.9 -31.1 11 12 A V E - 0 0 88 13,-1.9 2,-0.3 -2,-0.9 -1,-0.2 0.925 59.3 -25.0 -75.9 -48.6 -2.6 5.8 -31.1 12 13 A Q E -A 24 0A 109 12,-0.7 12,-3.1 0, 0.0 2,-0.5 -0.980 62.9 -95.2-166.4 154.4 -1.5 4.0 -27.9 13 14 A T E -A 23 0A 60 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.618 31.1-175.8 -76.6 121.5 -2.5 2.8 -24.5 14 15 A L E - 0 0 71 8,-2.8 2,-0.3 -2,-0.5 9,-0.2 0.904 63.8 -16.2 -82.9 -47.7 -1.8 5.4 -21.8 15 16 A G E -A 22 0A 18 7,-1.7 7,-3.8 2,-0.0 2,-0.3 -0.897 58.3-172.0-149.0 177.3 -2.8 3.5 -18.8 16 17 A E E +A 21 0A 144 5,-0.3 2,-0.3 -2,-0.3 5,-0.3 -0.974 17.2 128.8-165.7 169.5 -4.7 0.4 -17.6 17 18 A G S S- 0 0 46 3,-2.1 -2,-0.0 -2,-0.3 3,-0.0 -0.959 71.3 -24.8 170.6-151.4 -6.0 -1.5 -14.5 18 19 A A S S+ 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.849 130.9 52.8 -59.7 -37.0 -9.0 -3.1 -12.9 19 20 A Y S S- 0 0 69 1,-0.1 21,-0.9 20,-0.1 2,-0.3 0.899 119.4-108.9 -65.9 -42.1 -11.4 -0.9 -15.0 20 21 A G E - B 0 39A 32 19,-0.2 -3,-2.1 2,-0.0 2,-0.3 -0.782 58.3 -28.0 153.6-103.6 -9.7 -2.0 -18.2 21 22 A E E -AB 16 38A 79 17,-1.6 17,-2.9 -5,-0.3 2,-0.5 -0.995 36.0-142.2-150.8 152.1 -7.5 0.3 -20.3 22 23 A V E -AB 15 37A 27 -7,-3.8 -8,-2.8 -2,-0.3 -7,-1.7 -0.967 26.7-168.4-118.3 114.3 -7.0 4.0 -21.1 23 24 A Q E -AB 13 36A 21 13,-2.7 13,-3.7 -2,-0.5 2,-0.5 -0.713 22.0-121.3-104.4 154.5 -6.1 4.7 -24.8 24 25 A L E -AB 12 35A 11 -12,-3.1 -13,-1.9 -2,-0.3 -12,-0.7 -0.806 30.8-163.6 -92.7 130.0 -4.9 7.8 -26.5 25 26 A A E -AB 10 34A 0 9,-3.6 9,-3.0 -2,-0.5 2,-0.4 -0.957 8.0-167.1-121.6 135.8 -7.2 9.0 -29.3 26 27 A V E -AB 9 33A 34 -17,-2.4 -17,-2.9 -2,-0.4 7,-0.2 -0.958 29.1-111.0-120.6 136.3 -6.4 11.5 -32.1 27 28 A N E > -A 8 0A 4 5,-2.6 4,-0.9 -2,-0.4 -19,-0.2 -0.420 15.7-139.5 -68.4 135.7 -9.0 13.0 -34.4 28 29 A R T 4 S+ 0 0 130 -21,-2.8 -1,-0.1 -24,-0.3 -23,-0.1 0.881 99.7 23.5 -60.1 -41.3 -8.8 11.9 -38.0 29 30 A V T 4 S+ 0 0 56 -25,-0.3 -1,-0.1 -22,-0.3 -24,-0.1 0.928 135.5 28.5 -91.7 -58.6 -9.5 15.4 -39.3 30 31 A T T 4 S- 0 0 82 2,-0.1 -2,-0.1 -25,-0.0 3,-0.1 0.626 89.5-137.3 -81.4 -14.5 -8.4 17.9 -36.6 31 32 A E < + 0 0 153 -4,-0.9 2,-0.2 1,-0.2 -3,-0.1 0.739 44.1 164.7 62.0 22.3 -5.7 15.6 -35.1 32 33 A E - 0 0 98 -6,-0.1 -5,-2.6 1,-0.1 2,-0.4 -0.496 30.2-135.1 -70.9 138.3 -7.0 16.7 -31.7 33 34 A A E +B 26 0A 37 -7,-0.2 52,-0.5 -2,-0.2 2,-0.3 -0.824 32.0 159.5-103.6 137.0 -5.8 14.4 -28.9 34 35 A V E -B 25 0A 3 -9,-3.0 -9,-3.6 -2,-0.4 2,-0.4 -0.972 37.9-112.2-148.0 158.0 -7.9 13.1 -26.1 35 36 A A E -BC 24 83A 8 48,-3.0 48,-3.9 -2,-0.3 2,-0.5 -0.804 25.9-155.2 -96.9 133.2 -7.8 10.2 -23.7 36 37 A V E -BC 23 82A 7 -13,-3.7 -13,-2.7 -2,-0.4 2,-0.7 -0.936 3.5-151.0-113.0 121.8 -10.4 7.4 -24.0 37 38 A K E -BC 22 81A 12 44,-2.8 44,-1.9 -2,-0.5 2,-0.8 -0.812 9.8-157.8 -93.6 115.9 -11.3 5.3 -21.0 38 39 A I E +BC 21 80A 27 -17,-2.9 -17,-1.6 -2,-0.7 2,-0.5 -0.834 15.6 175.5 -98.0 109.6 -12.4 1.8 -22.0 39 40 A V E -BC 20 79A 18 40,-1.9 40,-2.3 -2,-0.8 2,-0.8 -0.962 23.0-143.6-119.1 122.2 -14.6 0.1 -19.4 40 41 A D E - C 0 78A 70 -21,-0.9 2,-1.1 -2,-0.5 38,-0.2 -0.736 4.4-151.7 -85.9 110.1 -16.1 -3.3 -20.0 41 42 A M + 0 0 45 36,-1.5 37,-0.1 -2,-0.8 -1,-0.1 0.052 38.9 161.0 -70.2 32.0 -19.6 -3.4 -18.4 42 43 A K + 0 0 138 -2,-1.1 -2,-0.0 35,-0.3 35,-0.0 -0.274 50.4 12.2 -57.2 138.5 -19.0 -7.1 -18.1 43 44 A R S S- 0 0 190 1,-0.1 2,-0.6 2,-0.1 3,-0.2 0.488 79.6-117.8 66.5 143.9 -21.4 -8.7 -15.5 44 45 A A S S+ 0 0 84 1,-0.1 -1,-0.1 3,-0.1 -2,-0.1 -0.856 88.0 64.8-121.9 98.1 -24.4 -6.8 -14.0 45 46 A V S S+ 0 0 107 -2,-0.6 -1,-0.1 0, 0.0 -2,-0.1 0.167 108.0 33.0-179.6 -21.0 -24.3 -6.2 -10.3 46 47 A D S S+ 0 0 84 -3,-0.2 -2,-0.1 -5,-0.1 0, 0.0 -0.406 115.7 47.7-148.5 60.8 -21.3 -3.9 -9.8 47 48 A C S >>S+ 0 0 11 3,-0.1 4,-1.1 -6,-0.1 5,-0.8 0.248 84.2 73.8-162.7 -51.0 -21.2 -1.8 -13.0 48 49 A P T 45S+ 0 0 63 0, 0.0 4,-0.1 0, 0.0 -4,-0.1 0.778 116.4 31.5 -49.6 -26.9 -24.6 -0.2 -14.0 49 50 A E T >5S+ 0 0 115 3,-0.1 4,-1.8 2,-0.1 5,-0.2 0.800 116.6 58.0 -98.2 -40.5 -24.0 2.1 -11.0 50 51 A N H >>5S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 3,-1.0 0.982 113.9 31.6 -53.3 -77.1 -20.2 2.3 -11.1 51 52 A I H 3X5S+ 0 0 7 -4,-1.1 4,-1.6 1,-0.3 -1,-0.2 0.795 119.4 56.2 -55.3 -32.2 -19.5 3.6 -14.6 52 53 A K H 3>X S+ 0 0 4 -4,-2.9 3,-1.5 1,-0.2 4,-0.9 0.886 109.6 56.5 -66.9 -38.5 -19.8 13.3 -11.5 58 59 A N H >< S+ 0 0 3 -4,-2.1 3,-0.7 1,-0.3 11,-0.2 0.887 95.5 63.4 -61.3 -40.8 -17.7 14.2 -14.6 59 60 A K T 3< S+ 0 0 131 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.526 106.3 48.7 -63.0 -2.9 -20.6 16.1 -16.2 60 61 A M T <4 S+ 0 0 88 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.689 88.6 98.4-105.6 -28.9 -20.3 18.5 -13.2 61 62 A L << + 0 0 11 -4,-0.9 8,-0.4 -3,-0.7 2,-0.1 -0.450 34.0 150.6 -70.5 127.5 -16.5 19.0 -13.2 62 63 A N + 0 0 123 -2,-0.3 2,-0.3 6,-0.1 5,-0.1 -0.575 24.7 117.1-158.0 85.0 -15.2 22.2 -14.8 63 64 A H > - 0 0 31 3,-0.4 3,-1.8 -2,-0.1 53,-0.0 -0.992 66.5-116.6-152.5 148.2 -11.9 23.5 -13.4 64 65 A E T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.680 115.3 47.5 -60.9 -19.6 -8.4 24.1 -14.8 65 66 A N T 3 S+ 0 0 14 79,-0.1 80,-2.4 2,-0.1 2,-0.4 0.022 101.4 77.9-111.2 26.6 -6.9 21.6 -12.3 66 67 A V B < S-e 145 0B 1 -3,-1.8 -3,-0.4 78,-0.3 80,-0.2 -1.000 92.8-100.5-135.4 133.8 -9.4 18.9 -13.0 67 68 A V - 0 0 6 78,-2.5 -2,-0.1 -2,-0.4 -6,-0.1 -0.326 45.4-123.0 -55.4 125.0 -9.5 16.6 -16.0 68 69 A K - 0 0 98 -4,-0.1 16,-1.8 -6,-0.1 2,-0.5 -0.324 15.7-132.4 -72.1 152.9 -12.1 17.9 -18.4 69 70 A F E +D 83 0A 42 -8,-0.4 14,-0.2 -11,-0.2 3,-0.1 -0.933 24.9 173.6-111.5 126.5 -15.0 15.7 -19.6 70 71 A Y E - 0 0 101 12,-2.5 2,-0.3 -2,-0.5 13,-0.2 0.673 53.7 -86.5-103.0 -24.1 -15.9 15.5 -23.3 71 72 A G E -D 82 0A 17 11,-1.0 11,-2.8 2,-0.0 -1,-0.4 -0.833 34.6-103.9 142.7 179.6 -18.6 12.9 -23.2 72 73 A H E -D 81 0A 39 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.953 13.7-152.4-142.0 160.4 -19.3 9.2 -23.4 73 74 A R E -D 80 0A 119 7,-2.1 7,-3.0 -2,-0.3 2,-0.4 -0.999 10.2-147.2-137.1 136.4 -20.6 6.5 -25.8 74 75 A R E +D 79 0A 139 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.852 21.0 165.6-107.0 138.9 -22.4 3.2 -25.1 75 76 A E E > -D 78 0A 83 3,-1.5 3,-3.3 -2,-0.4 2,-0.4 -0.768 59.6 -69.5-154.7 103.0 -22.0 0.1 -27.1 76 77 A G T 3 S- 0 0 70 1,-0.3 -1,-0.1 -2,-0.2 3,-0.0 -0.308 119.1 -13.4 54.1-105.7 -23.2 -3.3 -26.0 77 78 A N T 3 S+ 0 0 103 -2,-0.4 -36,-1.5 -3,-0.1 2,-0.5 0.129 122.3 89.8-111.9 17.4 -20.8 -4.2 -23.2 78 79 A I E < -CD 40 75A 43 -3,-3.3 -3,-1.5 -38,-0.2 2,-0.4 -0.959 54.1-168.9-123.1 119.6 -18.3 -1.4 -24.0 79 80 A Q E -CD 39 74A 0 -40,-2.3 -40,-1.9 -2,-0.5 2,-0.5 -0.867 8.1-155.3-105.2 136.0 -18.5 2.1 -22.5 80 81 A Y E -CD 38 73A 66 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.6 -0.951 7.5-171.3-117.6 120.0 -16.3 4.9 -23.9 81 82 A L E -CD 37 72A 0 -44,-1.9 -44,-2.8 -2,-0.5 2,-0.7 -0.924 12.8-150.7-112.6 113.3 -15.4 7.9 -21.8 82 83 A F E +CD 36 71A 41 -11,-2.8 -12,-2.5 -2,-0.6 -11,-1.0 -0.729 27.9 173.3 -85.6 113.8 -13.7 10.8 -23.6 83 84 A L E -CD 35 69A 24 -48,-3.9 -48,-3.0 -2,-0.7 -14,-0.2 -0.783 38.4 -77.6-120.7 163.1 -11.4 12.6 -21.2 84 85 A E - 0 0 20 -16,-1.8 2,-0.5 -2,-0.3 -50,-0.2 -0.277 43.8-129.8 -59.4 138.3 -8.8 15.3 -21.3 85 86 A Y - 0 0 61 -52,-0.5 2,-0.6 -60,-0.1 -1,-0.1 -0.821 20.0-169.6 -94.2 126.1 -5.4 14.2 -22.6 86 87 A C > - 0 0 11 -2,-0.5 3,-2.1 52,-0.1 51,-0.4 -0.830 5.1-172.8-118.4 90.3 -2.5 15.2 -20.4 87 88 A S T 3 S+ 0 0 59 -2,-0.6 51,-0.2 1,-0.3 -1,-0.1 0.675 76.2 77.5 -57.1 -18.7 0.8 14.5 -22.3 88 89 A G T 3 S- 0 0 18 49,-1.7 -1,-0.3 1,-0.2 50,-0.2 0.752 90.5-152.0 -64.9 -22.9 2.8 15.3 -19.2 89 90 A G E < -F 137 0B 29 -3,-2.1 48,-2.1 48,-1.0 2,-0.2 -0.417 38.4 -15.3 86.1-162.9 1.9 11.9 -17.8 90 91 A E E > -F 136 0B 67 46,-0.2 3,-1.3 1,-0.1 46,-0.2 -0.566 46.3-137.0 -83.7 140.9 1.7 10.9 -14.1 91 92 A L G >> S+ 0 0 2 44,-2.8 3,-2.9 41,-0.8 4,-0.6 0.879 104.4 70.9 -58.4 -37.4 3.0 13.0 -11.2 92 93 A F G >4 S+ 0 0 97 40,-1.5 3,-0.9 1,-0.3 -1,-0.3 0.807 92.1 56.6 -48.8 -35.1 4.3 9.7 -9.9 93 94 A D G <4 S+ 0 0 115 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.492 99.4 58.8 -79.8 -3.2 6.9 9.6 -12.7 94 95 A R G <4 S+ 0 0 88 -3,-2.9 2,-0.6 -4,-0.2 -1,-0.2 0.473 87.4 91.8 -99.1 -7.4 8.3 13.0 -11.6 95 96 A I S << S- 0 0 22 -3,-0.9 6,-0.2 -4,-0.6 105,-0.1 -0.803 71.1-145.2 -93.2 120.8 9.1 11.7 -8.2 96 97 A E B >> -H 100 0C 117 4,-2.7 4,-3.0 -2,-0.6 3,-2.5 -0.747 30.9-102.6 -87.4 123.4 12.6 10.2 -7.9 97 98 A P T 34 S- 0 0 93 0, 0.0 107,-0.2 0, 0.0 106,-0.1 -0.103 101.0 -3.0 -45.6 131.1 12.8 7.2 -5.5 98 99 A D T 34 S+ 0 0 102 105,-2.6 105,-0.2 1,-0.2 106,-0.2 0.435 136.2 59.9 64.7 -0.9 14.3 8.0 -2.1 99 100 A I T <4 S- 0 0 109 -3,-2.5 2,-0.5 104,-0.2 104,-0.3 0.735 75.3-163.6-119.9 -53.6 14.8 11.6 -3.3 100 101 A G B < -H 96 0C 2 -4,-3.0 -4,-2.7 102,-0.3 101,-0.2 -0.888 37.7 -68.3 104.2-127.5 11.6 13.4 -4.4 101 102 A M - 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0 0 0 -2,-0.1 3,-1.0 1,-0.1 4,-0.5 -0.370 24.9-114.8 -72.3 155.4 -6.4 8.9 6.6 175 176 A P H >> S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.823 109.0 65.0 -61.6 -34.9 -6.5 7.0 10.0 176 177 A E H 3> S+ 0 0 4 1,-0.3 4,-2.8 71,-0.2 3,-0.3 0.768 93.1 62.6 -61.9 -25.4 -10.1 7.7 10.8 177 178 A L H <4 S+ 0 0 10 -3,-1.0 -1,-0.3 1,-0.2 6,-0.0 0.817 110.3 39.8 -69.8 -27.6 -11.2 5.6 7.8 178 179 A L H << S+ 0 0 58 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.485 126.1 35.4 -96.8 -5.3 -9.5 2.6 9.5 179 180 A K H < S+ 0 0 130 -4,-0.7 2,-0.3 -3,-0.3 -2,-0.2 0.694 108.4 55.3-119.6 -27.3 -10.7 3.5 13.0 180 181 A R < - 0 0 142 -4,-2.8 3,-0.1 -5,-0.2 -1,-0.1 -0.739 63.3-138.9-111.3 159.7 -14.2 5.0 12.8 181 182 A R S S+ 0 0 193 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.887 93.4 23.5 -79.6 -42.2 -17.5 3.9 11.4 182 183 A E S S+ 0 0 80 -18,-0.0 2,-0.3 -6,-0.0 -18,-0.2 -0.953 71.4 170.0-126.7 146.7 -18.4 7.3 10.0 183 184 A F B -K 163 0F 13 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.2 -0.983 37.9 -94.6-152.1 159.6 -16.1 10.2 9.1 184 185 A H > - 0 0 80 -2,-0.3 4,-0.6 -22,-0.2 -22,-0.1 -0.549 30.3-139.8 -75.6 139.7 -16.1 13.7 7.4 185 186 A A H >> S+ 0 0 0 -24,-0.3 4,-1.4 -2,-0.2 3,-1.0 0.942 90.3 58.1 -66.9 -51.5 -15.1 13.6 3.7 186 187 A E H 3> S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.864 100.9 52.8 -52.1 -47.4 -12.9 16.7 3.4 187 188 A P H 3> S+ 0 0 27 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.822 105.1 59.1 -62.4 -24.8 -10.3 15.9 6.1 188 189 A V H S- 0 0 22 -2,-1.9 3,-2.5 3,-0.1 7,-0.3 -0.981 70.6-124.1-133.8 145.4 -2.2 2.5 12.3 212 213 A D T 3 S+ 0 0 97 -2,-0.4 6,-0.1 1,-0.3 -1,-0.0 0.581 110.4 66.6 -62.3 -8.4 -0.4 2.4 15.6 213 214 A S T 3 S+ 0 0 111 1,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.518 83.2 86.4 -88.7 -7.0 0.6 -1.1 14.8 214 215 A C S X> S- 0 0 14 -3,-2.5 4,-1.9 1,-0.2 3,-1.2 -0.856 77.2-143.7 -98.4 109.2 2.8 0.2 12.0 215 216 A Q H 3> S+ 0 0 117 -2,-0.8 4,-2.0 1,-0.3 -1,-0.2 0.806 95.9 50.4 -36.1 -53.0 6.2 1.1 13.4 216 217 A E H 3> S+ 0 0 17 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.847 108.8 51.4 -61.8 -36.9 6.7 4.2 11.2 217 218 A Y H <> S+ 0 0 1 -3,-1.2 4,-2.3 -6,-0.3 3,-0.3 0.939 108.3 51.6 -66.6 -46.0 3.3 5.7 12.0 218 219 A S H X S+ 0 0 31 -4,-1.9 4,-1.3 -7,-0.3 -2,-0.2 0.904 108.1 52.7 -55.7 -43.7 3.9 5.4 15.8 219 220 A D H <>S+ 0 0 36 -4,-2.0 5,-2.6 -5,-0.2 -1,-0.2 0.837 107.0 52.8 -62.6 -33.4 7.3 7.1 15.4 220 221 A W H ><5S+ 0 0 15 -4,-1.4 3,-2.3 -3,-0.3 -2,-0.2 0.952 107.6 49.3 -66.3 -50.2 5.6 10.0 13.6 221 222 A K H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 110.0 54.1 -60.8 -23.1 3.0 10.5 16.4 222 223 A E T 3<5S- 0 0 117 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.417 115.9-119.6 -89.5 -0.5 6.1 10.4 18.7 223 224 A K T < 5 + 0 0 152 -3,-2.3 2,-2.4 1,-0.2 -3,-0.2 0.721 55.4 157.2 70.4 25.6 7.7 13.2 16.7 224 225 A K < + 0 0 65 -5,-2.6 6,-0.2 1,-0.2 4,-0.2 -0.407 7.6 153.0 -80.2 66.9 10.8 11.3 15.7 225 226 A T + 0 0 42 -2,-2.4 -1,-0.2 5,-0.1 2,-0.1 0.443 38.0 104.7 -77.3 0.6 11.4 13.5 12.7 226 227 A Y S S- 0 0 139 -3,-0.1 2,-2.8 1,-0.1 4,-0.2 -0.410 97.8 -20.9 -79.2 160.8 15.1 12.8 12.8 227 228 A L S S+ 0 0 122 4,-0.1 4,-0.4 3,-0.1 5,-0.2 -0.027 111.5 101.4 38.9 -64.9 16.8 10.4 10.3 228 229 A N S > S- 0 0 42 -2,-2.8 3,-3.0 -4,-0.2 2,-0.4 -0.064 105.9 -68.0 -43.5 147.2 13.4 8.8 9.5 229 230 A P G > S+ 0 0 17 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.423 134.0 64.2 -8.7 -36.1 11.8 10.0 6.2 230 231 A W G > S+ 0 0 2 -2,-0.4 3,-1.5 -4,-0.2 -2,-0.1 0.627 82.2 79.9 -76.5 -13.1 11.1 13.4 7.6 231 232 A K G < S+ 0 0 133 -3,-3.0 -1,-0.2 -4,-0.4 -4,-0.1 0.727 88.8 54.8 -65.8 -23.9 14.9 14.0 7.8 232 233 A K G < S+ 0 0 75 -3,-0.9 2,-0.5 -4,-0.2 -1,-0.3 0.413 93.9 88.2 -89.9 1.2 15.0 14.8 4.1 233 234 A I S < S- 0 0 12 -3,-1.5 -31,-0.1 -4,-0.0 -35,-0.0 -0.895 81.2-118.8-109.4 125.4 12.4 17.5 4.4 234 235 A D > - 0 0 71 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.097 29.9-109.8 -54.1 155.1 13.2 21.1 5.2 235 236 A S H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.794 112.5 58.2 -60.2 -31.6 11.7 22.6 8.4 236 237 A A H > S+ 0 0 13 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.984 113.6 34.0 -67.0 -58.5 9.3 24.9 6.6 237 238 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.882 115.6 59.3 -65.6 -31.1 7.4 22.2 4.6 238 239 A L H X S+ 0 0 18 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.837 100.6 55.5 -63.2 -32.4 7.8 19.8 7.5 239 240 A A H X S+ 0 0 45 -4,-1.6 4,-0.7 -3,-0.4 -1,-0.2 0.842 106.9 50.5 -68.5 -33.3 5.9 22.2 9.7 240 241 A L H >X S+ 0 0 0 -4,-1.2 4,-1.4 -3,-0.3 3,-1.0 0.924 108.9 51.1 -68.9 -43.4 3.0 22.1 7.2 241 242 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.3 -2,-0.2 0.868 101.1 61.9 -62.0 -35.8 3.1 18.3 7.3 242 243 A H H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.788 109.6 43.3 -60.3 -25.9 2.9 18.4 11.1 243 244 A K H << S+ 0 0 82 -3,-1.0 10,-2.1 -4,-0.7 3,-0.3 0.723 117.0 43.9 -91.5 -25.2 -0.4 20.1 10.7 244 245 A I H < S+ 0 0 0 -4,-1.4 2,-1.9 1,-0.2 -2,-0.2 0.912 107.7 56.5 -84.0 -49.4 -1.8 18.0 7.9 245 246 A L S < S+ 0 0 4 -4,-2.8 2,-0.5 -5,-0.1 -1,-0.2 -0.398 73.7 137.0 -85.5 62.7 -0.9 14.5 9.2 246 247 A V - 0 0 42 -2,-1.9 6,-0.1 -3,-0.3 5,-0.1 -0.926 53.1-138.9-106.9 129.4 -2.7 14.9 12.5 247 248 A E S S+ 0 0 55 -2,-0.5 -71,-0.2 4,-0.1 -1,-0.1 0.879 86.0 75.8 -59.1 -42.2 -4.6 11.8 13.6 248 249 A N S >> S- 0 0 87 1,-0.2 3,-1.3 -73,-0.1 4,-1.0 -0.622 70.2-156.7 -74.6 112.5 -7.7 13.6 14.9 249 250 A P T 34 S+ 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.774 92.4 58.1 -60.8 -26.0 -9.6 14.7 11.8 250 251 A S T 34 S+ 0 0 105 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.711 110.5 41.5 -77.7 -19.9 -11.3 17.4 13.8 251 252 A A T <4 S+ 0 0 65 -3,-1.3 -1,-0.2 -5,-0.1 3,-0.1 0.526 90.5 112.9-102.0 -9.0 -7.9 19.0 14.7 252 253 A R S < S- 0 0 10 -4,-1.0 -8,-0.2 -6,-0.1 -9,-0.1 -0.332 78.7 -99.7 -65.0 143.9 -6.4 18.5 11.3 253 254 A I - 0 0 24 -10,-2.1 2,-0.2 -13,-0.1 -1,-0.1 -0.292 37.5-136.1 -63.5 147.4 -5.7 21.7 9.3 254 255 A T > - 0 0 74 -3,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.562 23.6-103.5-100.7 169.7 -8.3 22.7 6.7 255 256 A I H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.940 118.3 56.4 -61.2 -47.2 -7.6 23.9 3.2 256 257 A P H 4 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.880 113.3 43.3 -53.3 -34.7 -8.3 27.6 3.9 257 258 A D H >4 S+ 0 0 94 -3,-0.3 3,-1.3 2,-0.2 4,-0.5 0.766 104.6 61.0 -81.1 -26.4 -5.7 27.5 6.7 258 259 A I H >< S+ 0 0 0 -4,-1.8 3,-1.3 -3,-0.4 6,-0.2 0.889 100.1 59.1 -63.3 -36.1 -3.2 25.5 4.6 259 260 A K T 3< S+ 0 0 76 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.574 103.9 50.7 -67.8 -10.0 -3.3 28.5 2.3 260 261 A K T < S+ 0 0 171 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.491 85.1 119.3-104.5 -7.3 -2.2 30.7 5.2 261 262 A D <> - 0 0 8 -3,-1.3 4,-1.7 -4,-0.5 5,-0.1 -0.253 69.9-124.3 -62.5 143.9 0.8 28.4 6.0 262 263 A R T 4 S+ 0 0 179 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.918 109.2 43.3 -55.0 -53.2 4.3 29.9 5.9 263 264 A W T >4 S+ 0 0 1 -27,-0.4 3,-1.6 1,-0.2 -1,-0.2 0.896 109.3 58.1 -62.4 -40.8 5.8 27.3 3.4 264 265 A Y T 34 S+ 0 0 21 1,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.875 115.1 37.6 -56.4 -37.0 2.7 27.5 1.2 265 266 A N T 3< S+ 0 0 97 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.234 89.1 122.4-100.3 14.2 3.3 31.2 0.9 266 267 A K < - 0 0 51 -3,-1.6 2,-0.2 -5,-0.1 -3,-0.1 -0.630 68.5-116.9 -82.0 126.1 7.1 31.1 0.7 267 268 A P S S- 0 0 113 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 -0.433 83.0 -25.2 -63.6 127.2 8.6 32.6 -2.5 268 269 A L 0 0 113 1,-0.2 -161,-0.2 -2,-0.2 -160,-0.1 -0.533 360.0 360.0 73.7 -87.2 10.4 29.9 -4.5 269 270 A K 0 0 83 -2,-1.6 -162,-0.3 -162,-0.1 -1,-0.2 0.784 360.0 360.0 -27.6 360.0 11.2 27.4 -1.7