==== 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 17-APR-11 3RK5 . 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) . 14606.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 60.2 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 . 39 13.3 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 . 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 . 22 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 0 1 0 0 2 0 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 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 . 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 80 0, 0.0 3,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 133.4 104.9 129.4 -47.3 2 2 A E T 3 + 0 0 178 1,-0.3 3,-0.0 3,-0.1 22,-0.0 0.776 360.0 35.8 -36.6 -45.5 106.4 132.3 -49.3 3 3 A N T 3 S+ 0 0 80 1,-0.1 21,-1.4 20,-0.1 22,-0.4 0.676 119.0 56.1 -86.9 -18.4 104.4 131.3 -52.5 4 4 A F E < -A 23 0A 18 -3,-1.4 2,-1.2 19,-0.2 19,-0.2 -0.948 65.9-149.2-121.6 134.2 101.3 130.2 -50.6 5 5 A Q E -A 22 0A 93 17,-2.1 17,-1.0 -2,-0.4 -3,-0.1 -0.790 34.5-134.2 -98.5 90.2 99.1 132.0 -48.1 6 6 A K E -A 21 0A 61 -2,-1.2 15,-0.3 15,-0.2 3,-0.1 -0.194 21.3-169.7 -47.7 123.7 98.0 129.0 -46.0 7 7 A V E - 0 0 59 13,-2.9 2,-0.3 1,-0.3 14,-0.2 0.957 59.1 -40.7 -79.3 -61.2 94.3 129.2 -45.3 8 8 A E E -A 20 0A 120 12,-1.4 12,-3.1 0, 0.0 2,-0.6 -0.951 55.1 -91.2-158.5 176.0 94.1 126.4 -42.8 9 9 A K E +A 19 0A 121 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.872 35.4 174.1 -98.2 121.5 95.2 122.9 -41.7 10 10 A I E - 0 0 78 8,-2.4 2,-0.3 -2,-0.6 9,-0.2 0.281 59.6 -16.7-112.9 10.5 92.9 120.3 -43.0 11 11 A G E -A 18 0A 27 7,-1.0 7,-2.0 2,-0.0 -1,-0.2 -0.961 41.7-133.0 169.3 173.4 94.7 117.2 -42.0 12 12 A E E -A 17 0A 85 -2,-0.3 5,-0.3 5,-0.3 144,-0.1 -0.536 35.0-165.6-152.1 73.0 97.8 115.4 -40.8 13 13 A G - 0 0 19 3,-0.5 -2,-0.0 1,-0.1 148,-0.0 0.162 42.0 -86.4 -54.9 176.5 98.3 112.3 -42.8 14 14 A T S S+ 0 0 6 1,-0.2 -1,-0.1 142,-0.1 140,-0.1 0.294 129.1 33.3 -72.1 11.7 100.6 109.4 -42.0 15 15 A Y S S- 0 0 26 1,-0.4 21,-1.3 19,-0.1 2,-0.3 0.513 127.4 -34.8-136.5 -26.2 103.4 111.2 -43.7 16 16 A G E S- B 0 35A 2 19,-0.2 -3,-0.5 20,-0.1 -1,-0.4 -0.964 70.2 -60.9-175.7-169.8 102.8 114.9 -43.1 17 17 A V E -AB 12 34A 14 17,-0.7 17,-3.0 -2,-0.3 2,-0.5 -0.738 36.3-146.0 -99.2 146.8 100.3 117.7 -42.7 18 18 A V E -AB 11 33A 29 -7,-2.0 -8,-2.4 -2,-0.3 -7,-1.0 -0.935 17.1-171.3-113.3 130.7 97.9 118.9 -45.3 19 19 A Y E -AB 9 32A 33 13,-3.3 13,-3.3 -2,-0.5 2,-0.5 -0.889 25.4-130.4-121.0 152.7 96.9 122.6 -45.6 20 20 A K E +AB 8 31A 48 -12,-3.1 -13,-2.9 -2,-0.3 -12,-1.4 -0.873 46.0 167.8 -94.2 130.6 94.3 124.5 -47.6 21 21 A A E -AB 6 30A 0 9,-2.5 9,-3.1 -2,-0.5 2,-0.5 -0.991 33.3-134.8-148.2 155.0 96.3 127.3 -49.3 22 22 A R E -AB 5 29A 86 -17,-1.0 -17,-2.1 -2,-0.3 2,-1.1 -0.938 26.9-121.1-113.7 132.5 95.9 129.9 -52.0 23 23 A N E > -A 4 0A 21 5,-2.8 4,-3.8 -2,-0.5 5,-0.2 -0.594 20.9-147.7 -70.9 101.3 98.6 130.5 -54.6 24 24 A K T 4 S+ 0 0 125 -21,-1.4 -1,-0.2 -2,-1.1 -20,-0.1 0.693 96.3 40.3 -43.5 -21.6 99.3 134.2 -53.8 25 25 A L T 4 S+ 0 0 133 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.911 125.8 26.8 -94.9 -64.0 100.0 134.5 -57.6 26 26 A T T 4 S- 0 0 86 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.750 91.6-136.2 -74.2 -23.1 97.5 132.4 -59.4 27 27 A G < + 0 0 40 -4,-3.8 2,-0.2 1,-0.3 -3,-0.1 0.505 53.4 146.6 80.3 0.9 94.8 132.7 -56.7 28 28 A E - 0 0 77 -5,-0.2 -5,-2.8 -6,-0.1 2,-0.5 -0.474 47.9-131.2 -73.5 144.1 94.1 129.0 -57.1 29 29 A V E +B 22 0A 56 -7,-0.2 50,-0.7 -2,-0.2 2,-0.3 -0.849 38.1 167.9 -97.2 127.1 93.0 127.2 -53.9 30 30 A V E -BC 21 78A 1 -9,-3.1 -9,-2.5 -2,-0.5 2,-0.6 -0.835 41.2-110.2-135.5 170.6 95.0 124.0 -53.4 31 31 A A E -BC 20 77A 12 46,-3.0 46,-3.2 -2,-0.3 2,-0.6 -0.944 34.9-161.7-104.7 120.5 95.7 121.2 -50.9 32 32 A L E -BC 19 76A 2 -13,-3.3 -13,-3.3 -2,-0.6 2,-0.6 -0.918 1.8-162.1-109.8 119.2 99.3 121.6 -49.8 33 33 A K E -BC 18 75A 12 42,-3.0 42,-2.4 -2,-0.6 2,-0.5 -0.899 6.3-152.3-106.4 122.8 100.9 118.6 -48.2 34 34 A K E -BC 17 74A 52 -17,-3.0 -17,-0.7 -2,-0.6 2,-0.3 -0.808 20.0-149.1 -90.2 124.2 104.1 119.0 -46.2 35 35 A I E BC 16 73A 11 38,-3.1 38,-0.7 -2,-0.5 -19,-0.2 -0.700 360.0 360.0-100.8 151.0 106.2 115.8 -46.2 36 36 A R 0 0 111 -21,-1.3 -1,-0.2 -2,-0.3 -20,-0.1 0.815 360.0 360.0 -94.4 360.0 108.5 114.4 -43.6 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 78 0, 0.0 34,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -81.3 113.8 114.6 -42.7 39 42 A E - 0 0 185 32,-0.1 32,-0.0 0, 0.0 31,-0.0 -0.086 360.0 -37.0-108.8 34.0 117.5 114.2 -43.0 40 43 A G S S- 0 0 40 31,-0.1 31,-0.3 2,-0.1 30,-0.1 0.103 81.3-112.9 139.0 -25.5 117.9 115.0 -46.7 41 44 A V - 0 0 17 30,-0.2 30,-0.1 29,-0.1 31,-0.1 0.908 36.6-107.1 61.2 103.4 114.9 113.4 -48.4 42 45 A P > - 0 0 64 0, 0.0 4,-0.6 0, 0.0 -2,-0.1 0.068 13.1-139.6 -51.4 164.4 115.8 110.5 -50.7 43 46 A S H > S+ 0 0 56 2,-0.2 4,-1.3 3,-0.1 5,-0.2 0.677 95.3 69.5-101.9 -25.1 115.7 110.7 -54.5 44 47 A T H > S+ 0 0 92 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.830 106.2 44.2 -61.7 -30.5 114.3 107.3 -55.3 45 48 A A H > S+ 0 0 2 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.914 104.4 58.9 -79.5 -47.2 111.1 108.7 -53.8 46 49 A I H X S+ 0 0 40 -4,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.772 111.4 46.2 -54.1 -24.9 111.1 112.1 -55.5 47 50 A R H X S+ 0 0 144 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.925 109.8 50.6 -81.5 -50.5 111.1 110.0 -58.7 48 51 A E H X S+ 0 0 57 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.921 118.6 41.2 -49.7 -47.5 108.3 107.7 -57.4 49 52 A I H >X S+ 0 0 6 -4,-3.8 3,-2.1 1,-0.2 4,-0.9 0.961 108.7 56.7 -65.5 -54.4 106.4 110.8 -56.6 50 53 A S H 3< S+ 0 0 37 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.733 104.1 58.8 -51.2 -20.9 107.4 112.7 -59.8 51 54 A L H >< S+ 0 0 100 -4,-1.6 3,-1.3 -3,-0.2 4,-0.3 0.812 93.5 64.2 -78.7 -31.1 105.9 109.7 -61.5 52 55 A L H X< S+ 0 0 45 -3,-2.1 3,-2.1 -4,-0.8 11,-0.3 0.818 85.6 72.2 -62.6 -31.7 102.5 110.3 -59.9 53 56 A K T 3< S+ 0 0 67 -4,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.784 97.2 51.2 -54.5 -29.1 102.0 113.6 -61.7 54 57 A E T < S+ 0 0 132 -3,-1.3 2,-1.8 -4,-0.3 -1,-0.3 0.567 86.0 93.3 -84.7 -10.0 101.5 111.6 -64.9 55 58 A L < + 0 0 17 -3,-2.1 2,-0.5 -4,-0.3 8,-0.2 -0.555 57.3 162.3 -85.3 75.9 98.8 109.5 -63.1 56 59 A N + 0 0 82 -2,-1.8 5,-0.1 6,-0.1 6,-0.1 -0.854 2.4 142.0-104.7 128.4 95.8 111.5 -64.1 57 60 A H > - 0 0 42 -2,-0.5 3,-2.1 3,-0.5 54,-0.0 -0.979 59.0-109.4-157.9 148.1 92.2 110.1 -64.0 58 61 A P T 3 S+ 0 0 88 0, 0.0 80,-0.1 0, 0.0 4,-0.1 0.723 119.5 47.8 -57.4 -20.1 88.8 111.6 -63.0 59 62 A N T 3 S+ 0 0 7 80,-0.1 81,-2.6 78,-0.1 2,-0.4 0.115 99.3 78.3-110.1 24.7 88.8 109.5 -59.9 60 63 A I B < S-e 140 0B 7 -3,-2.1 -3,-0.5 79,-0.3 81,-0.2 -0.999 88.8-112.6-129.9 127.8 92.3 110.3 -58.8 61 64 A V - 0 0 10 79,-3.1 2,-0.3 -2,-0.4 -2,-0.1 -0.410 40.8-114.8 -60.3 127.5 93.1 113.6 -57.0 62 65 A K - 0 0 106 -2,-0.1 16,-2.2 -4,-0.1 2,-0.8 -0.505 18.7-145.5 -69.4 127.0 95.4 115.6 -59.5 63 66 A L E +D 77 0A 9 -2,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.872 21.9 179.5 -93.2 112.3 98.9 116.1 -58.2 64 67 A L E + 0 0 42 12,-2.6 2,-0.3 -2,-0.8 13,-0.2 0.921 56.6 6.2 -81.1 -51.3 99.8 119.6 -59.6 65 68 A D E -D 76 0A 74 11,-1.5 11,-3.2 2,-0.0 2,-0.5 -0.988 51.6-156.0-140.9 147.2 103.3 120.3 -58.4 66 69 A V E -D 75 0A 29 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.995 17.2-174.7-122.8 124.2 106.0 118.5 -56.5 67 70 A I E -D 74 0A 65 7,-2.9 7,-2.9 -2,-0.5 2,-0.6 -0.931 7.6-165.8-128.9 109.1 108.5 120.8 -54.7 68 71 A H E +D 73 0A 88 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.827 27.8 142.8 -95.0 120.8 111.6 119.4 -53.0 69 72 A T - 0 0 68 3,-2.5 3,-0.5 -2,-0.6 -2,-0.0 -0.763 58.3 -9.7-165.8 115.3 113.3 121.9 -50.6 70 73 A E S S- 0 0 163 -2,-0.2 -29,-0.1 1,-0.2 3,-0.1 0.964 119.0 -51.2 67.6 60.6 115.0 121.6 -47.2 71 74 A N S S+ 0 0 70 -31,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.429 123.3 99.8 62.5 -5.5 114.4 118.1 -45.9 72 75 A K - 0 0 83 -3,-0.5 -3,-2.5 -32,-0.1 2,-0.5 -0.939 59.9-157.9-117.5 134.0 110.8 118.9 -46.6 73 76 A L E -CD 35 68A 6 -38,-0.7 -38,-3.1 -2,-0.4 2,-0.5 -0.930 9.3-155.8-109.2 130.5 108.9 117.7 -49.7 74 77 A Y E -CD 34 67A 42 -7,-2.9 -7,-2.9 -2,-0.5 2,-0.5 -0.934 4.5-165.1-111.4 127.5 105.8 119.7 -50.7 75 78 A L E -CD 33 66A 10 -42,-2.4 -42,-3.0 -2,-0.5 2,-0.7 -0.950 7.0-155.7-111.3 123.8 103.0 118.1 -52.7 76 79 A V E +CD 32 65A 1 -11,-3.2 -12,-2.6 -2,-0.5 -11,-1.5 -0.894 18.9 179.0-104.5 114.2 100.5 120.5 -54.3 77 80 A F E -CD 31 63A 30 -46,-3.2 -46,-3.0 -2,-0.7 -14,-0.2 -0.787 37.5 -98.3-113.1 155.3 97.1 118.8 -55.0 78 81 A E E -C 30 0A 48 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.406 51.2-114.6 -63.8 147.3 93.9 120.1 -56.5 79 82 A F - 0 0 38 -50,-0.7 2,-0.4 -58,-0.1 -1,-0.1 -0.748 29.0-169.2 -94.6 132.6 91.6 120.9 -53.6 80 83 A L - 0 0 18 -2,-0.4 53,-0.1 1,-0.1 3,-0.0 -0.902 24.5-128.5-114.3 148.8 88.4 119.0 -53.0 81 84 A H S S+ 0 0 97 -2,-0.4 2,-0.3 51,-0.3 52,-0.1 0.688 77.6 10.4 -75.7 -18.1 85.9 120.3 -50.4 82 85 A Q E -F 132 0B 18 50,-1.3 50,-3.0 211,-0.0 2,-0.2 -0.994 62.0-131.1-156.2 155.8 85.3 117.3 -48.2 83 86 A D E > -F 131 0B 43 -2,-0.3 4,-2.1 48,-0.3 48,-0.2 -0.685 32.4-110.7-106.1 163.7 86.5 113.8 -47.5 84 87 A L H > S+ 0 0 0 46,-2.9 4,-2.8 43,-1.0 5,-0.2 0.795 113.4 61.4 -63.7 -28.8 84.4 110.6 -47.2 85 88 A K H > S+ 0 0 82 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.948 108.5 41.8 -63.7 -47.1 85.0 110.3 -43.4 86 89 A K H > S+ 0 0 124 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.920 114.3 52.1 -66.1 -43.0 83.3 113.7 -42.7 87 90 A F H X S+ 0 0 7 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.915 110.6 48.0 -60.1 -43.5 80.6 113.0 -45.2 88 91 A M H < S+ 0 0 19 -4,-2.8 4,-0.2 2,-0.2 -1,-0.2 0.919 112.3 48.7 -63.9 -40.8 79.8 109.6 -43.5 89 92 A D H >< S+ 0 0 98 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.930 111.7 50.3 -62.4 -42.1 79.8 111.3 -40.1 90 93 A A H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.740 114.6 44.1 -65.8 -24.4 77.5 113.9 -41.5 91 94 A S T 3X S+ 0 0 13 -4,-1.4 4,-3.6 -3,-0.2 3,-0.4 0.251 81.5 111.4-104.4 11.1 75.2 111.2 -42.9 92 95 A A T <4 S+ 0 0 44 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 0.837 75.8 46.2 -54.4 -42.8 75.3 109.0 -39.8 93 96 A L T 4 S+ 0 0 167 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.810 128.6 23.7 -75.6 -28.0 71.7 109.5 -38.7 94 97 A T T 4 S- 0 0 113 -3,-0.4 -2,-0.2 -4,-0.1 -1,-0.2 0.675 103.1-127.7-108.9 -23.8 70.1 108.9 -42.1 95 98 A G < - 0 0 7 -4,-3.6 -3,-0.1 -7,-0.2 99,-0.1 0.131 33.2 -75.7 86.6 149.4 72.7 106.9 -43.9 96 99 A I - 0 0 11 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.682 61.3-102.6 -77.6 132.9 74.2 107.7 -47.4 97 100 A P >> - 0 0 78 0, 0.0 4,-2.3 0, 0.0 3,-1.4 -0.328 27.4-121.1 -59.8 139.3 71.6 106.8 -50.0 98 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.4 2,-0.2 5,-0.2 0.849 110.4 57.8 -49.7 -43.6 72.3 103.5 -51.7 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 188,-0.4 0.863 111.0 44.2 -59.2 -30.8 72.5 105.0 -55.2 100 103 A L H <> S+ 0 0 4 -3,-1.4 4,-3.0 2,-0.2 5,-0.2 0.895 111.3 52.1 -78.0 -41.8 75.2 107.4 -54.0 101 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.951 112.5 47.7 -56.7 -45.6 77.0 104.6 -52.1 102 105 A K H X S+ 0 0 14 -4,-3.4 4,-2.9 1,-0.2 -2,-0.2 0.918 111.4 49.0 -61.6 -46.1 76.9 102.6 -55.4 103 106 A S H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.926 112.4 48.3 -59.0 -48.1 78.1 105.6 -57.5 104 107 A Y H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.936 113.4 46.8 -60.4 -47.0 81.0 106.2 -55.1 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.943 113.2 49.6 -59.4 -48.5 82.0 102.5 -55.0 106 109 A F H X S+ 0 0 51 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.917 112.2 47.1 -56.4 -48.5 81.8 102.3 -58.8 107 110 A Q H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.896 111.6 49.7 -63.6 -41.1 83.9 105.5 -59.3 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.859 108.9 52.7 -67.2 -35.2 86.6 104.3 -56.8 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.2 -1,-0.2 0.873 109.1 50.5 -65.8 -36.6 86.8 100.9 -58.6 110 113 A Q H X S+ 0 0 66 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.929 110.6 49.7 -65.2 -42.6 87.4 102.8 -61.8 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 114.3 44.1 -60.9 -43.4 90.1 104.8 -60.1 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.6 2,-0.2 5,-0.3 0.897 108.9 55.9 -69.1 -42.2 91.7 101.6 -58.8 113 116 A A H X S+ 0 0 26 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.925 111.9 45.8 -55.3 -43.4 91.4 99.8 -62.2 114 117 A F H X S+ 0 0 47 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.949 115.3 44.7 -63.9 -51.7 93.3 102.7 -63.7 115 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-3.2 1,-0.2 3,-0.5 0.913 116.0 47.2 -57.3 -48.0 95.9 102.8 -61.0 116 119 A H H ><5S+ 0 0 26 -4,-3.6 3,-2.1 1,-0.2 -1,-0.2 0.868 105.8 57.1 -65.4 -38.0 96.3 99.1 -61.0 117 120 A S H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.731 110.0 47.5 -66.7 -19.7 96.5 98.8 -64.8 118 121 A H T <<5S- 0 0 104 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.137 121.4-112.3-103.8 17.2 99.5 101.2 -64.5 119 122 A R T < 5S+ 0 0 207 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.837 72.2 138.7 54.4 39.2 101.0 99.1 -61.7 120 123 A V < - 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0 0 61 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.181 29.3 -99.3 -67.7 164.6 70.9 93.5 -51.1 254 257 A E H > S+ 0 0 117 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.822 122.2 55.5 -57.3 -35.3 72.2 90.1 -52.4 255 258 A D H > S+ 0 0 78 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.952 111.8 44.4 -62.3 -48.0 74.0 91.7 -55.4 256 259 A G H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.920 114.4 48.7 -61.7 -44.0 75.9 94.0 -53.0 257 260 A R H X S+ 0 0 52 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.899 109.8 52.3 -64.6 -39.1 76.6 91.2 -50.6 258 261 A S H X S+ 0 0 42 -4,-2.8 4,-1.7 -5,-0.2 -1,-0.2 0.946 112.4 45.0 -61.4 -47.8 77.9 89.0 -53.3 259 262 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.3 0.947 112.2 52.2 -60.7 -48.1 80.2 91.7 -54.6 260 263 A L H X S+ 0 0 0 -4,-3.0 4,-1.3 1,-0.2 3,-0.3 0.913 106.1 53.6 -56.0 -44.4 81.4 92.5 -51.1 261 264 A S H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.869 108.9 50.1 -59.5 -35.9 82.2 88.8 -50.4 262 265 A Q H >< S+ 0 0 67 -4,-1.7 10,-2.2 -3,-0.3 3,-0.7 0.808 109.6 50.3 -72.7 -29.2 84.4 88.7 -53.5 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.3 -3,-0.3 -1,-0.2 0.683 113.7 47.5 -78.6 -19.3 86.2 91.9 -52.4 264 267 A L T 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.121 74.6 138.5-109.8 18.5 86.8 90.3 -49.0 265 268 A H < - 0 0 66 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.407 54.0-135.1 -61.2 140.2 88.1 86.8 -50.1 266 269 A Y S S+ 0 0 14 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.959 88.2 75.4 -62.9 -50.2 91.0 85.9 -47.8 267 270 A D S >> S- 0 0 13 -44,-0.5 4,-2.1 1,-0.2 3,-1.8 -0.502 74.2-149.8 -69.9 116.6 93.2 84.6 -50.7 268 271 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.849 98.9 56.1 -53.3 -36.3 94.5 87.7 -52.5 269 272 A N T 34 S+ 0 0 147 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.679 110.3 43.0 -73.0 -18.5 94.5 85.6 -55.7 270 273 A K T <4 S+ 0 0 98 -3,-1.8 -1,-0.2 2,-0.1 3,-0.1 0.706 90.1 107.5 -94.7 -26.5 90.8 84.8 -55.3 271 274 A R S < S- 0 0 14 -4,-2.1 -8,-0.2 -6,-0.2 -9,-0.1 -0.224 81.4-103.1 -55.1 135.5 89.9 88.4 -54.4 272 275 A I - 0 0 20 -10,-2.2 2,-0.1 -13,-0.2 -1,-0.1 -0.245 32.2-122.8 -62.9 147.4 88.1 90.1 -57.2 273 276 A S > - 0 0 58 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.481 20.1-115.9 -85.8 163.4 90.0 92.6 -59.3 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -161,-0.2 0.916 117.9 52.7 -63.9 -40.3 88.8 96.2 -59.7 275 278 A K H 4 S+ 0 0 170 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.944 112.3 42.6 -60.0 -49.2 88.3 95.5 -63.4 276 279 A A H >4 S+ 0 0 45 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.851 108.8 59.3 -67.7 -32.8 86.1 92.5 -62.8 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.3 6,-0.2 0.855 96.8 61.3 -64.9 -33.9 84.2 94.2 -60.0 278 281 A L T 3< S+ 0 0 44 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.704 103.3 51.9 -65.9 -19.4 83.1 96.9 -62.4 279 282 A A T < S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.469 82.9 120.9 -94.4 -4.9 81.3 94.2 -64.4 280 283 A H S X S- 0 0 16 -3,-1.5 3,-2.1 -4,-0.3 4,-0.2 -0.314 75.1-118.5 -61.7 143.3 79.5 92.8 -61.3 281 284 A P G > S+ 0 0 75 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.706 106.6 78.4 -54.8 -22.8 75.6 92.9 -61.6 282 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.826 93.7 49.3 -56.9 -33.0 75.5 95.2 -58.6 283 286 A F G X S+ 0 0 10 -3,-2.1 3,-2.0 -6,-0.2 -1,-0.3 0.374 77.4 104.6 -90.2 5.8 76.4 98.1 -60.9 284 287 A Q T < S+ 0 0 169 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.919 92.3 32.4 -51.5 -48.1 73.8 97.3 -63.6 285 288 A D T 3 S+ 0 0 106 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 -0.009 88.6 149.2 -99.5 30.0 71.6 100.3 -62.4 286 289 A V < + 0 0 39 -3,-2.0 2,-0.2 -184,-0.1 -3,-0.1 -0.386 15.9 167.2 -68.9 140.9 74.5 102.5 -61.4 287 290 A T - 0 0 81 -188,-0.4 -2,-0.0 -2,-0.1 -1,-0.0 -0.695 39.0-109.4-135.1-172.8 73.9 106.3 -61.7 288 291 A K + 0 0 125 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.683 36.7 178.8-131.4 80.7 75.6 109.5 -60.5 289 292 A P - 0 0 39 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.306 29.5-119.1 -72.2 160.4 73.5 111.2 -57.8 290 293 A V - 0 0 101 -2,-0.0 -155,-0.1 -154,-0.0 2,-0.1 -0.853 26.2-126.5-103.4 142.0 74.9 114.4 -56.3 291 294 A P - 0 0 12 0, 0.0 2,-1.0 0, 0.0 -155,-0.1 -0.420 17.0-116.4 -80.6 161.7 75.5 114.5 -52.6 292 295 A H - 0 0 141 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.852 41.6-171.5 -97.2 101.7 74.1 117.0 -50.2 293 296 A L - 0 0 23 -2,-1.0 2,-0.7 -159,-0.1 -159,-0.0 -0.852 18.2-158.5-101.2 130.4 77.3 118.6 -49.0 294 297 A R 0 0 157 -2,-0.5 -2,-0.0 1,-0.2 -204,-0.0 -0.932 360.0 360.0-104.3 108.2 77.4 121.1 -46.1 295 298 A L 0 0 138 -2,-0.7 -1,-0.2 -213,-0.0 -2,-0.0 0.723 360.0 360.0-104.1 360.0 80.6 123.1 -46.6