==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-FEB-11 3QTZ . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 59.9 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 . 38 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 25.5 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 1 0 0 1 1 1 0 0 0 1 0 0 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 . 0 1 1 1 0 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 . 0 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 1 A M 0 0 55 0, 0.0 5,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-159.0 -79.2 16.1 -84.0 2 2 A E + 0 0 155 1,-0.1 22,-0.0 3,-0.1 0, 0.0 0.727 360.0 51.7-101.3 -30.0 -79.9 12.5 -84.9 3 3 A N S S+ 0 0 65 20,-0.0 21,-1.1 21,-0.0 22,-0.4 0.157 104.6 78.9 -92.2 17.7 -77.6 12.1 -88.0 4 4 A F E -A 23 0A 26 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.976 64.2-152.0-132.7 144.0 -74.8 13.6 -86.0 5 5 A Q E -A 22 0A 96 17,-1.6 17,-1.1 -2,-0.4 2,-0.2 -0.897 25.1-133.9-115.5 99.4 -72.4 12.2 -83.4 6 6 A K E -A 21 0A 89 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.326 21.8-176.5 -55.4 114.7 -71.2 14.9 -81.0 7 7 A V E - 0 0 50 13,-2.6 2,-0.3 1,-0.3 14,-0.2 0.850 65.3 -38.5 -80.7 -36.5 -67.4 14.5 -80.7 8 8 A E E -A 20 0A 114 12,-1.5 12,-3.4 -3,-0.1 2,-0.4 -0.904 61.8 -89.3 177.5 154.8 -67.2 17.3 -78.1 9 9 A K E -A 19 0A 145 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.633 30.5-171.6 -77.3 128.0 -68.6 20.7 -77.1 10 10 A I E - 0 0 80 8,-3.6 2,-0.3 -2,-0.4 9,-0.2 0.720 51.3 -82.7 -91.8 -27.3 -66.5 23.4 -78.6 11 11 A G E -A 18 0A 27 7,-1.6 7,-2.4 0, 0.0 2,-0.5 -0.999 53.1 -47.9 161.3-158.5 -68.0 26.3 -76.8 12 12 A E E -A 17 0A 55 -2,-0.3 5,-0.3 5,-0.2 21,-0.0 -0.949 46.9-166.6-118.7 108.0 -70.9 28.8 -76.4 13 13 A G - 0 0 7 3,-1.9 -1,-0.1 -2,-0.5 5,-0.1 0.524 44.2 -82.4 -67.4-139.5 -71.8 30.7 -79.6 14 14 A T S S+ 0 0 17 129,-0.1 140,-0.1 141,-0.1 3,-0.1 0.516 124.8 17.9-109.7 -9.2 -74.0 33.8 -79.6 15 15 A Y S S- 0 0 26 1,-0.1 21,-1.2 19,-0.1 2,-0.3 0.355 131.4 -25.6-137.9 -5.5 -77.4 32.0 -79.5 16 16 A G E S- B 0 35A 1 19,-0.2 -3,-1.9 20,-0.1 2,-0.3 -0.888 82.8 -39.2-175.1-153.1 -76.4 28.5 -78.3 17 17 A V E -AB 12 34A 8 17,-1.2 17,-2.8 -2,-0.3 2,-0.5 -0.674 38.7-144.0-102.1 155.2 -73.8 25.8 -78.0 18 18 A V E -AB 11 33A 27 -7,-2.4 -8,-3.6 -2,-0.3 -7,-1.6 -0.976 17.9-175.0-122.4 127.5 -71.2 24.6 -80.5 19 19 A Y E -AB 9 32A 31 13,-2.8 13,-3.3 -2,-0.5 2,-0.5 -0.889 28.6-129.5-120.9 149.8 -70.2 21.0 -81.0 20 20 A K E +AB 8 31A 40 -12,-3.4 -13,-2.6 -2,-0.3 -12,-1.5 -0.862 47.5 174.4 -89.9 131.6 -67.6 19.3 -83.0 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.2 -2,-0.5 2,-0.5 -0.959 31.6-136.8-141.8 160.7 -69.6 16.6 -84.7 22 22 A R E -AB 5 29A 90 -17,-1.1 -17,-1.6 -2,-0.3 2,-1.1 -0.973 28.2-120.0-121.1 124.0 -69.3 13.9 -87.3 23 23 A N E > -A 4 0A 20 5,-3.4 4,-3.8 -2,-0.5 5,-0.2 -0.471 24.7-144.5 -64.5 99.6 -72.0 13.2 -89.9 24 24 A K T 4 S+ 0 0 141 -2,-1.1 -1,-0.2 -21,-1.1 -20,-0.1 0.573 93.8 32.5 -42.5 -16.1 -72.8 9.6 -89.0 25 25 A L T 4 S+ 0 0 126 -22,-0.4 -1,-0.2 3,-0.1 -2,-0.1 0.794 126.9 33.6-109.5 -51.1 -73.4 8.8 -92.7 26 26 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.672 92.9-138.1 -79.6 -16.9 -71.0 11.0 -94.8 27 27 A G < + 0 0 42 -4,-3.8 -3,-0.1 1,-0.3 -1,-0.1 0.377 51.2 146.7 76.3 -6.8 -68.4 10.8 -92.1 28 28 A E - 0 0 89 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.366 46.7-130.6 -66.5 141.8 -67.6 14.5 -92.6 29 29 A V E +B 22 0A 62 -7,-0.2 50,-0.8 -3,-0.1 2,-0.3 -0.824 37.5 165.7 -96.6 129.3 -66.5 16.4 -89.5 30 30 A V E -BC 21 78A 1 -9,-3.2 -9,-3.0 -2,-0.5 2,-0.5 -0.816 41.2-110.5-136.4 172.8 -68.3 19.7 -88.9 31 31 A A E -BC 20 77A 14 46,-2.6 46,-3.4 -2,-0.3 2,-0.5 -0.941 35.2-160.7-106.6 128.3 -69.0 22.4 -86.3 32 32 A L E -BC 19 76A 0 -13,-3.3 -13,-2.8 -2,-0.5 2,-0.6 -0.949 6.2-162.7-118.4 119.9 -72.6 22.2 -85.2 33 33 A K E -BC 18 75A 5 42,-3.1 42,-2.4 -2,-0.5 2,-0.6 -0.882 7.4-157.1-101.7 125.6 -74.3 25.2 -83.6 34 34 A K E -BC 17 74A 34 -17,-2.8 -17,-1.2 -2,-0.6 2,-0.4 -0.913 8.5-158.3-104.5 122.5 -77.5 24.4 -81.7 35 35 A I E BC 16 73A 7 38,-3.7 38,-1.8 -2,-0.6 -19,-0.2 -0.817 360.0 360.0-103.5 142.4 -79.9 27.3 -81.2 36 36 A R 0 0 67 -21,-1.2 -1,-0.1 -2,-0.4 -20,-0.1 0.424 360.0 360.0 34.0 360.0 -82.6 27.5 -78.5 37 ! 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 38 41 A T 0 0 120 0, 0.0 33,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 149.8 -90.6 28.6 -77.2 39 42 A E - 0 0 155 32,-0.0 32,-0.0 3,-0.0 0, 0.0 0.924 360.0-103.2 -90.0 -71.7 -91.9 30.9 -79.8 40 43 A G - 0 0 31 31,-0.0 31,-0.1 2,-0.0 32,-0.1 0.445 49.3 -88.1 158.2 2.4 -91.1 29.4 -83.3 41 44 A V - 0 0 27 30,-0.1 108,-0.0 4,-0.0 30,-0.0 0.720 48.1 -95.0 72.9 122.0 -88.1 31.1 -85.0 42 45 A P > - 0 0 56 0, 0.0 4,-1.2 0, 0.0 5,-0.0 -0.160 15.3-148.1 -63.5 158.8 -88.5 34.2 -87.2 43 46 A S H > S+ 0 0 45 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.763 102.8 59.0 -93.6 -37.0 -88.9 33.9 -91.0 44 47 A T H > S+ 0 0 91 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.770 108.0 50.7 -61.0 -24.9 -87.1 37.2 -91.4 45 48 A A H >> S+ 0 0 5 2,-0.2 4,-1.6 1,-0.1 3,-1.4 0.982 106.5 47.9 -75.7 -65.2 -84.3 35.4 -89.6 46 49 A I H 3X S+ 0 0 56 -4,-1.2 4,-3.0 1,-0.3 -2,-0.2 0.793 111.5 53.4 -47.1 -34.7 -84.0 32.2 -91.6 47 50 A R H 3X S+ 0 0 141 -4,-2.0 4,-1.4 2,-0.3 -1,-0.3 0.828 107.7 48.5 -74.1 -30.5 -84.0 34.3 -94.8 48 51 A E H < S+ 0 0 23 -4,-0.9 3,-1.2 1,-0.2 11,-0.4 0.801 101.5 59.2 -60.0 -29.2 -75.4 33.6 -95.2 53 56 A K H 3< S+ 0 0 59 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.903 104.0 49.7 -66.7 -41.1 -75.5 30.2 -97.0 54 57 A E T 3< S+ 0 0 136 -4,-1.5 2,-0.9 -3,-0.4 -1,-0.3 0.123 85.7 105.0 -83.9 22.0 -74.9 31.8 -100.4 55 58 A L < + 0 0 9 -3,-1.2 2,-0.6 8,-0.1 8,-0.2 -0.808 48.6 171.9-104.8 91.1 -72.0 33.7 -98.9 56 59 A N + 0 0 96 -2,-0.9 5,-0.1 6,-0.1 -3,-0.0 -0.891 12.7 133.6-109.2 119.3 -68.9 31.9 -100.3 57 60 A H > - 0 0 37 -2,-0.6 3,-1.9 3,-0.4 -2,-0.0 -0.980 60.2-115.0-156.8 145.4 -65.4 33.3 -99.8 58 61 A P T 3 S+ 0 0 85 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.693 115.7 48.9 -59.2 -17.7 -62.1 31.8 -98.6 59 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.9 48,-0.1 2,-0.4 0.132 97.6 80.1-110.9 21.6 -62.1 33.9 -95.5 60 63 A I B < S-e 140 0B 8 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.996 86.6-115.5-127.2 127.4 -65.7 33.1 -94.4 61 64 A V - 0 0 10 79,-3.0 2,-0.3 -2,-0.4 -2,-0.1 -0.427 38.9-115.5 -62.1 129.0 -66.5 29.9 -92.6 62 65 A K - 0 0 92 -2,-0.2 16,-2.5 -4,-0.1 2,-0.8 -0.544 16.6-145.2 -75.0 128.5 -68.8 27.9 -94.9 63 66 A L E -D 77 0A 7 -11,-0.4 14,-0.3 -2,-0.3 -8,-0.1 -0.849 21.0-179.1 -90.8 110.0 -72.3 27.4 -93.6 64 67 A L E - 0 0 32 12,-2.5 2,-0.3 -2,-0.8 13,-0.2 0.917 55.7 -1.3 -78.7 -48.4 -73.2 23.9 -94.9 65 68 A D E -D 76 0A 83 11,-1.4 11,-3.0 2,-0.0 2,-0.4 -0.981 47.9-152.0-147.7 158.6 -76.7 23.4 -93.7 66 69 A V E -D 75 0A 46 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.976 15.8-174.4-133.4 114.8 -79.6 24.8 -91.6 67 70 A I E +D 74 0A 38 7,-2.5 7,-2.7 -2,-0.4 -2,-0.0 -0.948 11.2 176.1-118.7 117.9 -82.1 22.5 -89.9 68 71 A H > + 0 0 77 -2,-0.5 4,-1.4 5,-0.2 3,-0.2 0.764 38.0 124.1 -86.6 -31.8 -85.1 24.0 -88.1 69 72 A T T 4 + 0 0 88 1,-0.2 3,-0.5 2,-0.2 -2,-0.1 0.250 63.8 26.2 -32.0 148.8 -86.9 20.7 -87.0 70 73 A E T 4 S- 0 0 158 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 0.807 123.2 -70.6 65.6 36.5 -87.8 20.0 -83.3 71 74 A N T 4 S+ 0 0 96 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.907 113.6 97.4 48.2 45.6 -88.1 23.5 -81.9 72 75 A K < - 0 0 73 -4,-1.4 2,-0.6 -3,-0.5 -36,-0.2 -0.943 67.2-136.6-159.3 140.1 -84.3 24.0 -82.2 73 76 A L E -C 35 0A 10 -38,-1.8 -38,-3.7 -2,-0.3 2,-0.5 -0.917 18.3-168.1-108.6 121.5 -82.1 25.6 -84.9 74 77 A Y E -CD 34 67A 19 -7,-2.7 -7,-2.5 -2,-0.6 2,-0.5 -0.916 4.8-166.8-110.2 131.9 -79.0 23.8 -86.0 75 78 A L E -CD 33 66A 15 -42,-2.4 -42,-3.1 -2,-0.5 2,-0.6 -0.981 9.8-155.1-117.2 122.1 -76.4 25.5 -88.2 76 79 A V E -CD 32 65A 2 -11,-3.0 -12,-2.5 -2,-0.5 -11,-1.4 -0.888 17.2-176.7-102.6 120.3 -73.8 23.1 -89.7 77 80 A F E -CD 31 63A 32 -46,-3.4 -46,-2.6 -2,-0.6 -14,-0.2 -0.824 36.0 -97.6-116.9 155.4 -70.5 24.7 -90.5 78 81 A E E -C 30 0A 48 -16,-2.5 2,-0.4 -2,-0.3 -48,-0.2 -0.435 53.4-115.9 -62.8 143.9 -67.3 23.5 -92.2 79 82 A F - 0 0 37 -50,-0.8 2,-0.3 -58,-0.1 -1,-0.1 -0.709 30.8-173.5 -93.3 134.2 -65.0 22.6 -89.3 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 3,-0.0 -0.913 25.3-129.2-119.1 152.3 -61.7 24.4 -88.5 81 84 A H S S+ 0 0 98 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.608 76.8 15.8 -82.6 -12.9 -59.3 23.2 -85.8 82 85 A Q E -F 132 0B 14 50,-1.1 50,-2.9 4,-0.0 2,-0.2 -0.992 61.1-134.3-157.7 152.0 -58.5 26.3 -83.7 83 86 A D E > -F 131 0B 43 -2,-0.3 4,-2.1 48,-0.2 48,-0.2 -0.680 32.9-110.6-105.3 162.9 -59.7 29.8 -83.0 84 87 A L H > S+ 0 0 0 46,-2.9 4,-3.2 43,-1.1 5,-0.2 0.805 113.8 62.2 -62.3 -30.1 -57.6 32.9 -82.8 85 88 A K H > S+ 0 0 55 42,-0.9 4,-2.4 45,-0.3 -1,-0.2 0.964 108.3 40.5 -60.2 -53.1 -58.2 33.2 -79.0 86 89 A K H > S+ 0 0 120 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.927 115.9 52.0 -62.7 -43.1 -56.5 29.8 -78.3 87 90 A F H X S+ 0 0 9 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.923 109.8 48.4 -60.3 -44.9 -53.8 30.6 -80.9 88 91 A M H < S+ 0 0 17 -4,-3.2 3,-0.3 2,-0.2 4,-0.3 0.927 112.4 49.1 -61.9 -42.0 -53.0 34.0 -79.3 89 92 A D H >< S+ 0 0 97 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.940 111.3 49.3 -61.6 -45.7 -52.9 32.3 -75.9 90 93 A A H 3< S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.3 3,-0.2 0.719 115.5 44.8 -65.0 -21.6 -50.6 29.7 -77.2 91 94 A S T 3X S+ 0 0 15 -4,-1.4 4,-3.7 -3,-0.3 -1,-0.3 0.286 81.6 106.3-104.6 8.0 -48.4 32.4 -78.8 92 95 A A T <4 S+ 0 0 45 -3,-1.5 -1,-0.1 -4,-0.3 -2,-0.1 0.832 76.9 51.0 -57.3 -37.8 -48.4 34.6 -75.7 93 96 A L T 4 S+ 0 0 171 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.879 129.0 18.0 -69.3 -40.7 -44.8 33.9 -74.7 94 97 A T T 4 S- 0 0 108 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.659 104.2-129.0-104.5 -24.3 -43.2 34.6 -78.1 95 98 A G < - 0 0 8 -4,-3.7 -3,-0.1 -7,-0.2 99,-0.1 0.176 34.2 -72.1 85.2 149.3 -45.9 36.6 -79.8 96 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.605 60.9-102.1 -74.8 136.1 -47.4 35.9 -83.2 97 100 A P >> - 0 0 82 0, 0.0 4,-2.5 0, 0.0 3,-1.2 -0.363 26.9-122.7 -60.1 138.2 -44.8 36.8 -85.9 98 101 A L H 3> S+ 0 0 62 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.847 111.2 58.5 -51.3 -39.4 -45.7 40.1 -87.6 99 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.869 110.6 43.4 -61.0 -32.0 -45.8 38.5 -91.0 100 103 A L H <> S+ 0 0 5 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.897 112.5 51.1 -78.0 -43.3 -48.5 36.1 -89.7 101 104 A I H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.966 113.3 47.3 -56.4 -47.7 -50.3 38.9 -87.9 102 105 A K H X S+ 0 0 14 -4,-3.5 4,-2.4 1,-0.2 -2,-0.2 0.898 111.6 49.5 -61.4 -42.0 -50.2 40.9 -91.2 103 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.925 112.4 47.8 -63.4 -45.3 -51.4 37.9 -93.2 104 107 A Y H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.935 113.2 47.2 -62.4 -47.1 -54.3 37.3 -90.8 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.926 112.1 51.3 -59.8 -43.4 -55.4 40.9 -90.8 106 109 A F H X S+ 0 0 53 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.923 112.4 45.6 -59.2 -47.5 -55.2 41.1 -94.6 107 110 A Q H X S+ 0 0 11 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 111.1 52.1 -65.3 -39.8 -57.3 38.0 -95.0 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.874 108.5 51.4 -66.5 -35.4 -59.9 39.2 -92.5 109 112 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 -1,-0.2 0.863 109.1 50.9 -67.3 -36.0 -60.2 42.5 -94.3 110 113 A Q H X S+ 0 0 64 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.939 110.5 49.5 -64.5 -45.5 -60.8 40.5 -97.6 111 114 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.949 116.2 41.8 -57.5 -48.9 -63.5 38.6 -95.8 112 115 A L H X S+ 0 0 1 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.906 109.4 56.7 -65.6 -44.2 -65.1 41.8 -94.5 113 116 A A H X S+ 0 0 24 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.924 111.5 47.6 -51.9 -43.6 -64.7 43.6 -97.8 114 117 A F H X S+ 0 0 47 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.955 114.5 41.0 -65.0 -54.6 -66.6 40.7 -99.3 115 118 A C H <>S+ 0 0 0 -4,-2.5 5,-3.0 1,-0.2 3,-0.5 0.918 115.5 52.5 -63.1 -39.5 -69.5 40.5 -96.7 116 119 A H H ><5S+ 0 0 21 -4,-3.3 3,-1.8 1,-0.3 -1,-0.2 0.864 105.3 52.9 -63.4 -37.1 -69.7 44.3 -96.6 117 120 A S H 3<5S+ 0 0 87 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.742 110.1 51.3 -71.1 -18.2 -70.0 44.6 -100.4 118 121 A H T 3<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.196 121.4-111.4 -99.5 16.0 -72.8 42.1 -100.0 119 122 A R T < 5S+ 0 0 161 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.837 75.0 135.3 59.8 34.2 -74.5 44.3 -97.3 120 123 A V < - 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0 0 59 1,-0.1 4,-2.6 3,-0.1 5,-0.2 -0.010 31.5 -98.1 -60.2 169.5 -44.1 50.0 -87.0 254 257 A E H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.833 121.8 55.0 -62.7 -34.7 -45.6 53.3 -88.3 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.938 111.6 45.6 -63.6 -45.7 -47.4 51.7 -91.3 256 259 A G H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.935 114.7 47.1 -62.4 -45.9 -49.2 49.4 -88.8 257 260 A R H X S+ 0 0 54 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.864 110.5 52.8 -63.9 -36.9 -50.0 52.2 -86.4 258 261 A S H X S+ 0 0 45 -4,-2.6 4,-1.6 -5,-0.2 -1,-0.2 0.949 112.4 45.3 -63.9 -47.1 -51.2 54.4 -89.2 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.945 112.9 48.9 -63.0 -47.0 -53.6 51.7 -90.3 260 263 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 3,-0.5 0.926 107.1 57.7 -58.4 -41.9 -54.8 50.8 -86.8 261 264 A S H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.7 46.9 -54.7 -39.6 -55.4 54.6 -86.2 262 265 A Q H >< S+ 0 0 67 -4,-1.6 10,-2.2 -3,-0.4 3,-0.7 0.748 109.4 52.8 -77.4 -24.1 -57.7 54.6 -89.2 263 266 A M H 3< S+ 0 0 0 -4,-1.5 -76,-0.2 -3,-0.5 -1,-0.2 0.702 111.2 49.2 -81.1 -19.2 -59.6 51.5 -88.1 264 267 A L T 3< S+ 0 0 1 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.104 74.5 138.0-107.4 20.8 -60.1 53.2 -84.7 265 268 A H < - 0 0 63 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.431 53.7-136.0 -64.0 140.1 -61.5 56.6 -85.8 266 269 A Y S S+ 0 0 16 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.928 86.8 76.9 -63.3 -47.0 -64.4 57.6 -83.6 267 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.4 1,-0.2 4,-2.2 -0.557 74.5-148.2 -71.7 114.2 -66.6 58.8 -86.5 268 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.807 100.2 54.4 -50.6 -32.6 -68.0 55.7 -88.3 269 272 A N T 34 S+ 0 0 152 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.639 110.8 43.4 -79.4 -15.1 -67.9 57.7 -91.5 270 273 A K T <4 S+ 0 0 96 -3,-2.4 -1,-0.2 2,-0.1 3,-0.1 0.694 89.1 105.9 -98.4 -23.9 -64.2 58.5 -91.1 271 274 A R S < S- 0 0 13 -4,-2.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.307 83.4-103.4 -57.9 134.7 -63.3 55.0 -90.1 272 275 A I - 0 0 21 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.247 31.3-123.0 -63.0 145.1 -61.5 53.2 -93.0 273 276 A S > - 0 0 61 1,-0.1 4,-2.5 -3,-0.1 5,-0.1 -0.420 22.4-113.7 -82.1 164.7 -63.4 50.7 -95.0 274 277 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -161,-0.1 0.912 117.9 53.0 -64.7 -41.7 -62.2 47.1 -95.4 275 278 A K H > S+ 0 0 171 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.923 112.4 43.0 -60.0 -46.4 -61.6 47.8 -99.1 276 279 A A H >4 S+ 0 0 45 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.898 110.0 56.7 -68.0 -39.5 -59.5 50.9 -98.5 277 280 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 6,-0.2 0.882 99.3 60.7 -60.3 -35.5 -57.6 49.2 -95.6 278 281 A L H 3< S+ 0 0 42 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.776 104.4 50.5 -62.2 -25.0 -56.6 46.4 -98.0 279 282 A A T << S+ 0 0 82 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.477 83.4 122.2 -90.6 -4.7 -54.8 49.1 -100.1 280 283 A H S X S- 0 0 17 -3,-1.6 3,-2.0 -4,-0.4 4,-0.1 -0.254 75.0-118.3 -59.8 144.8 -52.9 50.6 -97.1 281 284 A P G > S+ 0 0 77 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.723 106.4 79.9 -56.8 -21.2 -49.1 50.6 -97.4 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.832 94.1 48.1 -56.8 -30.8 -49.0 48.3 -94.3 283 286 A F G X S+ 0 0 10 -3,-2.0 3,-2.1 -6,-0.2 -1,-0.3 0.367 75.7 104.9 -93.5 5.8 -49.8 45.4 -96.7 284 287 A Q T < S+ 0 0 153 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.899 93.1 34.2 -53.5 -40.3 -47.2 46.2 -99.4 285 288 A D T 3 S+ 0 0 85 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.065 86.9 147.4-103.7 25.7 -45.1 43.3 -98.2 286 289 A V < + 0 0 41 -3,-2.1 2,-0.2 -184,-0.1 -186,-0.1 -0.342 17.9 170.6 -64.7 141.1 -47.9 41.0 -97.1 287 290 A T - 0 0 80 -188,-0.4 -2,-0.0 -2,-0.0 -1,-0.0 -0.782 37.5-111.6-137.3 178.1 -47.2 37.2 -97.5 288 291 A K + 0 0 126 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.684 38.1 178.3-120.5 79.5 -49.0 34.0 -96.4 289 292 A P - 0 0 40 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.286 28.7-119.2 -73.4 167.0 -46.9 32.3 -93.7 290 293 A V - 0 0 104 -154,-0.0 -155,-0.1 1,-0.0 -156,-0.1 -0.893 26.4-124.5-108.1 138.4 -48.2 29.1 -92.2 291 294 A P - 0 0 12 0, 0.0 2,-1.1 0, 0.0 -155,-0.1 -0.391 17.2-116.5 -79.1 158.1 -48.8 29.0 -88.4 292 295 A H - 0 0 156 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.844 43.5-169.8 -92.3 101.7 -47.2 26.5 -86.0 293 296 A L - 0 0 28 -2,-1.1 2,-0.8 -159,-0.1 -159,-0.0 -0.876 19.4-160.9-103.8 124.5 -50.5 24.9 -84.8 294 297 A R 0 0 201 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.901 360.0 360.0-100.7 105.2 -50.5 22.5 -81.9 295 298 A L 0 0 129 -2,-0.8 -1,-0.2 -213,-0.0 -2,-0.0 0.729 360.0 360.0-101.6 360.0 -53.8 20.5 -82.4