==== 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 20-APR-11 3RMF . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 278 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 64.0 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 . 41 14.7 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 . 1 0.4 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 26.3 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 2 1 0 1 1 0 1 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 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 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 64 0, 0.0 5,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-177.1 106.9 92.0 -48.6 2 2 A E + 0 0 151 1,-0.1 22,-0.1 3,-0.1 0, 0.0 0.675 360.0 61.3 -95.0 -23.5 106.9 95.7 -49.5 3 3 A N S S+ 0 0 81 20,-0.1 21,-1.9 21,-0.1 22,-0.4 0.674 104.0 61.3 -75.8 -18.3 105.0 95.1 -52.7 4 4 A F E -A 23 0A 19 19,-0.2 2,-0.6 20,-0.1 19,-0.2 -0.836 67.1-147.7-117.6 152.4 102.0 93.8 -50.7 5 5 A Q E -A 22 0A 95 17,-1.8 17,-1.5 -2,-0.3 2,-0.6 -0.933 24.2-134.5-117.2 104.7 99.7 95.1 -48.0 6 6 A K E -A 21 0A 92 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.444 23.5-179.3 -62.4 107.6 98.6 92.4 -45.6 7 7 A V E - 0 0 57 13,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.920 63.9 -38.7 -73.9 -44.4 94.9 92.8 -45.2 8 8 A E E -A 20 0A 110 12,-1.6 12,-3.4 -3,-0.1 2,-0.4 -0.953 57.7 -94.3-176.4 157.7 94.6 90.0 -42.7 9 9 A K E +A 19 0A 119 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.667 37.6 173.4 -79.7 133.0 95.8 86.5 -41.7 10 10 A I E - 0 0 72 8,-2.5 2,-0.3 -2,-0.4 9,-0.2 0.421 55.5 -16.5-122.9 -1.3 93.4 83.9 -43.1 11 11 A G E -A 18 0A 26 7,-1.2 7,-1.9 2,-0.0 -1,-0.3 -0.988 47.2-135.5 177.0 176.4 95.1 80.6 -42.4 12 12 A E E -A 17 0A 144 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.893 15.9-173.0-159.0 122.0 98.2 78.7 -41.4 13 13 A G - 0 0 31 3,-3.0 -2,-0.0 -2,-0.3 5,-0.0 -0.171 46.1 -92.4 -98.9-163.5 99.6 75.4 -42.8 14 14 A T S S+ 0 0 96 1,-0.1 3,-0.1 -2,-0.1 132,-0.0 0.743 126.0 40.8 -83.6 -24.0 102.5 73.2 -41.6 15 15 A Y S S- 0 0 127 1,-0.2 21,-0.5 20,-0.0 2,-0.3 0.734 124.5 -35.8 -95.0 -27.2 104.9 75.1 -43.9 16 16 A G E - B 0 35A 12 19,-0.2 -3,-3.0 2,-0.0 2,-0.4 -0.986 60.9 -70.9-174.9-174.4 103.7 78.7 -43.4 17 17 A V E -AB 12 34A 29 17,-1.7 17,-3.5 -2,-0.3 2,-0.4 -0.798 33.1-148.7-103.1 141.3 101.2 81.4 -42.9 18 18 A V E -AB 11 33A 34 -7,-1.9 -8,-2.5 -2,-0.4 -7,-1.2 -0.918 15.7-173.1-112.6 133.0 98.7 82.6 -45.5 19 19 A Y E -AB 9 32A 31 13,-3.0 13,-3.3 -2,-0.4 2,-0.6 -0.903 29.3-124.5-123.1 151.1 97.5 86.2 -45.7 20 20 A K E +AB 8 31A 42 -12,-3.4 -13,-2.3 -2,-0.3 -12,-1.6 -0.838 50.0 173.8 -87.4 128.6 94.8 88.0 -47.7 21 21 A A E -AB 6 30A 0 9,-3.0 9,-3.1 -2,-0.6 2,-0.4 -0.954 31.3-135.8-140.9 161.2 96.9 90.8 -49.4 22 22 A R E -AB 5 29A 89 -17,-1.5 -17,-1.8 -2,-0.3 2,-1.1 -0.957 25.2-122.7-119.5 131.2 96.7 93.6 -51.9 23 23 A N E > -A 4 0A 27 5,-3.1 4,-3.5 -2,-0.4 5,-0.3 -0.604 21.2-148.1 -72.5 102.1 99.3 94.3 -54.6 24 24 A K T 4 S+ 0 0 102 -21,-1.9 -1,-0.2 -2,-1.1 -20,-0.1 0.602 94.0 38.8 -47.6 -13.6 100.2 97.9 -53.7 25 25 A L T 4 S+ 0 0 145 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.815 126.5 27.5-106.8 -44.8 100.8 98.5 -57.4 26 26 A T T 4 S- 0 0 99 2,-0.1 -2,-0.2 -3,-0.1 3,-0.1 0.660 92.5-130.8 -92.5 -17.9 98.2 96.6 -59.4 27 27 A G < + 0 0 46 -4,-3.5 2,-0.2 1,-0.3 -3,-0.1 0.527 53.7 155.0 79.0 4.8 95.5 96.7 -56.7 28 28 A E - 0 0 82 -5,-0.3 -5,-3.1 -6,-0.1 2,-0.5 -0.454 40.0-137.9 -68.8 133.8 95.1 92.9 -57.2 29 29 A V E +B 22 0A 55 -7,-0.2 47,-0.7 -2,-0.2 2,-0.3 -0.837 36.3 162.6 -95.5 128.2 93.8 91.1 -54.2 30 30 A V E -BC 21 75A 0 -9,-3.1 -9,-3.0 -2,-0.5 2,-0.5 -0.861 44.2-110.1-139.3 171.8 95.6 87.8 -53.6 31 31 A A E -BC 20 74A 14 43,-2.5 43,-3.1 -2,-0.3 2,-0.5 -0.936 36.4-163.0-104.4 126.4 96.3 85.0 -51.1 32 32 A L E -BC 19 73A 0 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.5 -0.955 5.1-161.7-118.5 119.1 99.9 85.2 -50.0 33 33 A K E -BC 18 72A 13 39,-2.7 39,-2.2 -2,-0.5 2,-0.5 -0.864 6.0-158.1-101.4 127.5 101.6 82.3 -48.3 34 34 A K E -BC 17 71A 47 -17,-3.5 -17,-1.7 -2,-0.5 2,-0.5 -0.914 7.0-172.1-108.7 123.0 104.8 83.0 -46.4 35 35 A I E -BC 16 70A 27 35,-3.0 35,-2.8 -2,-0.5 2,-0.5 -0.963 15.9-144.1-114.7 120.0 107.2 80.1 -45.8 36 36 A R E C 0 69A 192 -2,-0.5 33,-0.2 -21,-0.5 32,-0.1 -0.735 360.0 360.0 -86.8 126.9 110.1 80.9 -43.5 37 37 A L 0 0 97 31,-2.8 32,-0.2 -2,-0.5 -1,-0.2 0.888 360.0 360.0 -89.7 360.0 113.3 79.1 -44.5 38 ! 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 39 45 A P 0 0 124 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-158.1 115.8 73.9 -51.0 40 46 A S + 0 0 96 2,-0.1 0, 0.0 3,-0.1 0, 0.0 -0.033 360.0 47.6-120.0 25.9 117.1 73.7 -54.5 41 47 A T S >> S+ 0 0 102 3,-0.0 4,-1.5 2,-0.0 3,-0.7 0.559 104.6 51.9-129.4 -47.7 114.9 70.8 -55.5 42 48 A A H 3> S+ 0 0 16 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.812 96.8 75.5 -63.8 -28.9 111.4 71.7 -54.3 43 49 A I H 3> S+ 0 0 72 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.895 99.5 40.7 -49.4 -47.4 112.0 74.9 -56.2 44 50 A R H <> S+ 0 0 189 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.966 113.5 54.1 -66.3 -50.8 111.4 73.1 -59.5 45 51 A E H X S+ 0 0 66 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.859 117.5 38.0 -49.2 -40.7 108.6 71.1 -58.0 46 52 A I H >X S+ 0 0 6 -4,-3.5 3,-1.4 2,-0.2 4,-0.9 0.971 113.6 52.3 -75.1 -59.1 107.0 74.4 -57.0 47 53 A S H 3< S+ 0 0 55 -4,-3.5 3,-0.3 1,-0.3 4,-0.3 0.773 109.0 55.5 -48.1 -28.1 107.9 76.4 -60.1 48 54 A L H >X S+ 0 0 111 -4,-2.8 3,-1.8 1,-0.2 4,-0.8 0.846 94.3 64.2 -75.6 -35.5 106.3 73.6 -62.0 49 55 A L H << S+ 0 0 32 -3,-1.4 11,-0.3 -4,-0.9 -1,-0.2 0.752 89.7 71.1 -59.6 -21.7 103.0 73.9 -60.1 50 56 A K T 3< S+ 0 0 60 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.826 92.8 56.2 -63.5 -31.5 102.8 77.3 -61.7 51 57 A E T <4 S+ 0 0 124 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.862 80.5 103.7 -69.0 -37.4 102.1 75.6 -65.0 52 58 A L < + 0 0 18 -4,-0.8 2,-0.4 -3,-0.2 8,-0.3 -0.224 49.0 177.8 -49.5 123.0 99.1 73.6 -63.7 53 59 A N + 0 0 102 6,-0.1 5,-0.1 3,-0.0 -1,-0.1 -0.933 15.7 135.5-136.9 112.4 96.0 75.3 -65.1 54 60 A H > - 0 0 40 -2,-0.4 3,-1.9 3,-0.4 54,-0.0 -0.981 58.4-118.3-154.6 144.7 92.6 73.9 -64.4 55 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.709 115.4 47.3 -55.5 -24.1 89.2 75.5 -63.3 56 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.113 97.8 80.2-110.4 22.4 89.3 73.4 -60.1 57 63 A I B < S-e 137 0B 9 -3,-1.9 -3,-0.4 79,-0.3 81,-0.2 -0.997 85.8-115.2-128.2 126.8 92.9 74.2 -59.1 58 64 A V - 0 0 11 79,-2.8 2,-0.3 -2,-0.4 -2,-0.1 -0.414 39.0-116.3 -61.3 129.0 93.8 77.4 -57.3 59 65 A K - 0 0 103 -2,-0.1 16,-2.1 -4,-0.1 2,-0.8 -0.532 15.7-143.2 -74.8 129.8 96.1 79.3 -59.7 60 66 A L E -D 74 0A 9 -8,-0.3 14,-0.3 -11,-0.3 3,-0.1 -0.849 21.5-179.8 -91.5 113.2 99.6 79.9 -58.4 61 67 A L E + 0 0 29 12,-2.9 2,-0.3 -2,-0.8 13,-0.2 0.882 57.3 1.9 -83.4 -44.6 100.5 83.4 -59.7 62 68 A D E -D 73 0A 81 11,-1.4 11,-3.1 2,-0.0 2,-0.5 -0.998 48.3-154.3-149.6 151.9 104.0 84.0 -58.5 63 69 A V E -D 72 0A 42 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.986 19.7-176.0-126.8 116.4 106.8 82.3 -56.6 64 70 A I E -D 71 0A 41 7,-2.7 7,-3.1 -2,-0.5 2,-0.7 -0.958 9.9-171.0-122.0 119.8 109.3 84.7 -54.8 65 71 A H E +D 70 0A 118 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.913 31.2 135.9-108.8 108.1 112.4 83.5 -53.0 66 72 A T E > +D 69 0A 51 3,-2.2 3,-1.1 -2,-0.7 -2,-0.1 -0.990 57.3 5.7-154.4 144.6 114.1 86.3 -51.0 67 73 A E T 3 S- 0 0 161 -2,-0.3 -30,-0.1 1,-0.3 -1,-0.1 0.905 125.7 -54.6 51.2 54.0 115.6 87.0 -47.6 68 74 A N T 3 S+ 0 0 123 1,-0.2 -31,-2.8 -31,-0.1 2,-0.3 0.744 119.7 108.3 55.1 23.8 115.4 83.4 -46.3 69 75 A K E < -CD 36 66A 43 -3,-1.1 -3,-2.2 -33,-0.2 2,-0.5 -0.967 57.0-153.4-131.6 147.0 111.7 83.5 -47.1 70 76 A L E -CD 35 65A 30 -35,-2.8 -35,-3.0 -2,-0.3 2,-0.4 -0.988 14.7-167.9-121.4 122.2 109.6 81.8 -49.8 71 77 A Y E -CD 34 64A 12 -7,-3.1 -7,-2.7 -2,-0.5 2,-0.5 -0.924 5.7-165.3-113.1 136.2 106.4 83.6 -50.9 72 78 A L E -CD 33 63A 9 -39,-2.2 -39,-2.7 -2,-0.4 2,-0.6 -0.983 8.6-154.5-120.7 126.1 103.7 82.0 -53.0 73 79 A V E -CD 32 62A 1 -11,-3.1 -12,-2.9 -2,-0.5 -11,-1.4 -0.904 17.8-179.6-105.7 121.7 101.1 84.3 -54.6 74 80 A F E -CD 31 60A 31 -43,-3.1 -43,-2.5 -2,-0.6 -14,-0.2 -0.821 36.9 -97.4-118.9 156.0 97.7 82.7 -55.4 75 81 A E E -C 30 0A 50 -16,-2.1 2,-0.4 -2,-0.3 -45,-0.2 -0.433 52.1-114.1 -64.0 146.3 94.5 83.9 -56.9 76 82 A F - 0 0 39 -47,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.743 29.1-168.7 -94.1 129.6 92.2 84.7 -54.0 77 83 A L - 0 0 17 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.853 22.8-130.0-109.2 152.4 89.0 82.8 -53.3 78 84 A H S S+ 0 0 101 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.656 75.8 11.6 -83.1 -14.8 86.4 84.1 -50.8 79 85 A Q E -F 129 0B 14 50,-1.2 50,-3.1 199,-0.0 2,-0.2 -0.991 61.9-130.9-158.8 150.8 85.7 81.2 -48.5 80 86 A D E > -F 128 0B 41 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.638 31.3-112.5 -99.7 163.2 86.9 77.7 -47.6 81 87 A L H > S+ 0 0 0 46,-2.8 4,-3.0 43,-1.1 5,-0.2 0.804 112.6 60.8 -65.2 -30.1 84.7 74.6 -47.4 82 88 A K H > S+ 0 0 74 42,-0.9 4,-2.3 45,-0.3 -1,-0.2 0.950 107.9 43.5 -62.8 -47.2 85.1 74.3 -43.6 83 89 A K H > S+ 0 0 117 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.925 114.9 50.2 -63.3 -42.9 83.6 77.7 -43.0 84 90 A F H X S+ 0 0 8 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.916 110.0 49.7 -61.9 -44.8 80.8 76.9 -45.5 85 91 A M H < S+ 0 0 18 -4,-3.0 3,-0.3 2,-0.2 -1,-0.2 0.922 112.1 48.3 -61.0 -42.1 80.0 73.6 -43.9 86 92 A D H >< S+ 0 0 98 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.918 110.8 50.4 -63.9 -42.0 79.9 75.2 -40.5 87 93 A A H 3< S+ 0 0 59 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.715 114.9 45.5 -67.1 -20.3 77.6 78.0 -41.8 88 94 A S T 3X S+ 0 0 15 -4,-1.3 4,-3.6 -3,-0.3 -1,-0.3 0.238 80.8 107.6-105.9 10.6 75.4 75.2 -43.3 89 95 A A T <4 S+ 0 0 47 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.837 75.8 50.9 -59.7 -38.9 75.3 72.9 -40.2 90 96 A L T 4 S+ 0 0 169 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.887 129.9 17.3 -68.5 -39.1 71.7 73.6 -39.2 91 97 A T T 4 S- 0 0 110 -4,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.726 103.2-130.4-104.2 -29.7 70.2 72.9 -42.6 92 98 A G < - 0 0 9 -4,-3.6 -3,-0.1 -7,-0.2 87,-0.1 0.096 33.6 -70.1 89.2 151.7 73.0 71.0 -44.4 93 99 A I - 0 0 12 85,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.625 61.5-102.3 -76.3 133.2 74.4 71.6 -47.8 94 100 A P >> - 0 0 83 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.314 26.7-122.3 -57.7 137.7 71.9 70.7 -50.5 95 101 A L H 3> S+ 0 0 66 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.864 111.0 57.7 -49.9 -42.7 72.7 67.4 -52.2 96 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 176,-0.4 0.883 109.9 44.3 -59.3 -34.4 72.9 68.9 -55.6 97 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.887 111.9 52.2 -75.3 -39.5 75.6 71.3 -54.4 98 104 A I H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.946 112.2 47.0 -58.7 -46.7 77.4 68.5 -52.6 99 105 A K H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.894 111.4 50.5 -62.4 -42.0 77.4 66.5 -55.8 100 106 A S H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.924 112.1 47.4 -62.9 -44.5 78.6 69.5 -57.9 101 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.919 112.9 47.5 -63.8 -45.0 81.5 70.1 -55.5 102 108 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.929 112.2 51.1 -61.8 -44.9 82.5 66.4 -55.4 103 109 A F H X S+ 0 0 53 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.911 112.3 46.0 -58.3 -45.7 82.3 66.3 -59.2 104 110 A Q H X S+ 0 0 12 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.888 111.5 50.9 -66.9 -40.6 84.5 69.4 -59.6 105 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.879 108.3 53.0 -66.1 -36.1 87.1 68.2 -57.0 106 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.868 108.0 51.3 -65.8 -34.9 87.3 64.9 -58.9 107 113 A Q H X S+ 0 0 59 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.933 109.8 49.8 -66.7 -42.4 88.0 66.8 -62.1 108 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 114.5 43.8 -60.6 -45.0 90.7 68.7 -60.4 109 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.3 0.914 109.7 55.2 -67.4 -42.4 92.3 65.6 -59.0 110 116 A A H X S+ 0 0 25 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.925 111.8 47.2 -56.1 -41.6 91.9 63.7 -62.3 111 117 A F H X S+ 0 0 47 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.966 115.0 41.9 -65.4 -53.6 93.9 66.6 -63.8 112 118 A C H ><>S+ 0 0 0 -4,-2.7 5,-3.2 1,-0.2 3,-0.6 0.904 114.6 52.2 -62.5 -39.7 96.7 66.8 -61.3 113 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-1.5 1,-0.3 -1,-0.2 0.840 104.4 55.5 -65.4 -33.1 97.0 63.0 -61.1 114 120 A S H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.726 109.1 48.8 -71.6 -18.9 97.3 62.8 -64.9 115 121 A H T <<5S- 0 0 101 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.156 122.8-111.5-102.1 16.9 100.2 65.3 -64.6 116 122 A R T < 5S+ 0 0 227 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.823 73.2 138.1 56.5 37.1 101.7 63.1 -61.8 117 123 A V < - 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0 0 86 -2,-0.5 2,-0.3 -3,-0.1 -44,-0.0 -0.542 10.2-155.8 -83.9 153.4 102.2 57.7 -51.5 163 181 A S > - 0 0 48 -2,-0.2 3,-2.2 -43,-0.0 4,-0.4 -0.773 38.3 -96.1-120.9 169.2 100.0 57.0 -54.6 164 182 A T T >> S+ 0 0 58 1,-0.3 3,-1.1 -2,-0.3 4,-1.0 0.726 115.5 79.9 -56.7 -20.0 97.3 59.2 -56.1 165 183 A A H 3> S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.752 76.9 69.4 -61.4 -24.5 94.9 57.0 -54.1 166 184 A V H <> S+ 0 0 1 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.862 98.6 49.9 -64.7 -32.4 95.7 59.0 -50.9 167 185 A D H <> S+ 0 0 1 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.2 0.857 106.9 53.9 -72.9 -34.3 93.8 62.0 -52.4 168 186 A I H X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.925 108.6 50.3 -65.0 -42.9 90.7 59.9 -53.3 169 187 A W H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.965 110.8 48.0 -58.8 -52.5 90.6 58.6 -49.7 170 188 A S H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.912 112.8 48.7 -55.8 -44.3 90.7 62.2 -48.3 171 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.859 107.8 54.8 -66.1 -34.1 88.1 63.4 -50.7 172 190 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 76,-0.2 -1,-0.2 0.920 107.9 49.6 -63.7 -42.1 85.8 60.4 -49.8 173 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.8 1,-0.2 11,-0.4 0.880 112.3 47.7 -62.8 -38.7 86.1 61.4 -46.1 174 192 A I H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.890 108.8 54.1 -69.0 -40.0 85.2 65.0 -47.1 175 193 A F H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.940 109.4 48.0 -58.3 -49.0 82.2 63.8 -49.2 176 194 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.905 110.5 52.3 -59.5 -42.2 80.9 61.9 -46.2 177 195 A E H X S+ 0 0 22 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.876 106.7 51.5 -65.0 -38.6 81.3 64.9 -43.9 178 196 A M H < S+ 0 0 3 -4,-2.2 -85,-0.6 1,-0.2 -1,-0.2 0.915 114.4 45.8 -63.3 -41.0 79.4 67.2 -46.3 179 197 A V H < S+ 0 0 16 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.930 125.1 27.0 -67.6 -49.4 76.5 64.7 -46.3 180 198 A T H < S- 0 0 37 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.2 0.677 92.7-130.7 -91.0 -19.7 76.3 63.9 -42.6 181 199 A R S < S+ 0 0 125 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.1 0.778 79.2 99.5 69.7 28.6 77.6 67.1 -41.1 182 200 A R S S- 0 0 193 -5,-0.3 -2,-0.3 -6,-0.3 -1,-0.3 -0.991 85.0-107.0-142.6 135.0 79.9 65.0 -38.9 183 201 A A - 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0 0 6 -4,-1.8 24,-0.2 -5,-0.4 -1,-0.2 0.131 44.6 -66.5 93.1 147.4 86.6 46.7 -40.3 203 221 A T - 0 0 16 22,-2.5 24,-0.1 -4,-0.1 -8,-0.0 -0.558 62.5-121.3 -68.5 124.4 90.2 45.8 -39.4 204 222 A P + 0 0 2 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.297 36.2 176.8 -68.1 152.3 91.9 45.1 -42.7 205 223 A D > - 0 0 75 7,-0.0 4,-2.4 8,-0.0 7,-0.2 -0.781 49.3 -80.1-139.8-175.5 93.5 41.8 -43.4 206 224 A E T 4 S+ 0 0 80 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.742 121.7 62.5 -65.0 -22.5 95.3 40.0 -46.3 207 225 A V T 4 S+ 0 0 122 2,-0.2 -1,-0.2 1,-0.2 0, 0.0 0.962 117.9 23.4 -68.4 -50.5 91.9 39.2 -47.9 208 226 A V T 4 S+ 0 0 68 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.731 138.0 30.8 -88.8 -20.9 90.8 42.7 -48.5 209 227 A W S >< S- 0 0 11 -4,-2.4 3,-2.6 42,-0.1 4,-0.3 -0.637 78.4-151.8-139.5 80.1 94.3 44.3 -48.5 210 228 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.248 85.4 17.2 -52.4 128.9 97.0 42.0 -49.8 211 229 A G T > S+ 0 0 33 4,-0.0 3,-2.0 1,-0.0 4,-0.3 0.260 85.5 120.1 92.8 -11.8 100.3 43.0 -48.1 212 230 A V G X S+ 0 0 0 -3,-2.6 3,-1.3 1,-0.3 6,-0.1 0.847 71.8 56.8 -55.2 -37.1 98.7 45.0 -45.3 213 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 -7,-0.0 0.572 103.7 55.1 -73.2 -7.4 100.3 42.7 -42.6 214 232 A S G < S+ 0 0 104 -3,-2.0 -1,-0.3 3,-0.0 -2,-0.2 0.406 81.4 120.3-102.6 -0.1 103.8 43.4 -44.0 215 233 A M S X S- 0 0 30 -3,-1.3 3,-2.2 -4,-0.3 -57,-0.1 -0.376 75.9-110.5 -69.5 144.1 103.5 47.2 -43.7 216 234 A P T 3 S+ 0 0 68 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.792 113.6 31.0 -38.7 -50.3 106.0 49.1 -41.5 217 235 A D T 3 S+ 0 0 73 -60,-2.6 2,-0.3 2,-0.1 -59,-0.2 0.260 88.1 121.5-101.6 13.7 103.6 50.1 -38.8 218 236 A Y < - 0 0 29 -3,-2.2 3,-0.0 -61,-0.3 -5,-0.0 -0.580 43.3-163.9 -77.0 137.9 101.2 47.1 -38.9 219 237 A K > - 0 0 99 -2,-0.3 3,-2.5 1,-0.1 -2,-0.1 -0.987 23.3-145.0-124.2 127.9 101.0 45.2 -35.6 220 238 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.779 101.9 69.4 -59.0 -20.8 99.5 41.6 -35.4 221 239 A S T 3 + 0 0 102 -3,-0.0 3,-0.1 2,-0.0 -3,-0.0 0.431 69.1 123.2 -78.4 0.5 98.3 42.9 -32.1 222 240 A F S < S- 0 0 12 -3,-2.5 -19,-0.0 1,-0.1 -4,-0.0 -0.340 73.8-103.4 -59.9 141.0 95.8 45.3 -33.7 223 241 A P - 0 0 55 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.341 29.9-123.8 -65.4 153.8 92.2 44.7 -32.4 224 242 A K - 0 0 137 -3,-0.1 2,-0.3 -22,-0.0 -25,-0.0 -0.806 34.0-179.6-104.3 96.0 90.0 42.8 -34.9 225 243 A W - 0 0 78 -2,-0.9 -22,-2.5 -21,-0.0 2,-0.2 -0.698 24.8-124.8 -93.3 144.3 86.9 44.9 -35.5 226 244 A A - 0 0 75 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.1 -0.605 36.3 -96.0 -86.6 149.4 84.1 43.7 -37.9 227 245 A R - 0 0 123 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.411 41.0-127.8 -65.4 135.7 83.0 46.0 -40.7 228 246 A Q - 0 0 76 -28,-2.3 2,-0.1 1,-0.1 5,-0.1 -0.543 33.6 -86.8 -85.8 152.6 80.0 48.1 -39.9 229 247 A D >> - 0 0 105 -2,-0.2 3,-1.5 1,-0.2 4,-0.5 -0.370 34.5-141.8 -57.0 126.2 76.9 48.2 -42.1 230 248 A F H >> S+ 0 0 29 1,-0.3 4,-1.2 2,-0.2 3,-0.6 0.729 96.5 68.2 -65.8 -22.8 77.6 51.0 -44.6 231 249 A S H 34 S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.639 98.9 52.7 -71.0 -13.9 73.9 52.2 -44.5 232 250 A K H <4 S+ 0 0 133 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.644 101.1 62.6 -92.8 -18.8 74.6 53.4 -40.9 233 251 A V H << S+ 0 0 24 -3,-0.6 -2,-0.2 -4,-0.5 -3,-0.1 0.929 122.9 9.7 -73.7 -48.9 77.7 55.3 -42.0 234 252 A V S >< S+ 0 0 0 -4,-1.2 3,-1.9 1,-0.1 -1,-0.2 -0.551 73.0 171.7-134.2 69.0 76.1 57.9 -44.3 235 253 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.835 74.8 53.1 -46.1 -49.8 72.3 57.5 -43.8 236 254 A P T 3 S+ 0 0 96 0, 0.0 2,-0.4 0, 0.0 -5,-0.0 0.611 90.7 97.3 -69.6 -6.2 71.1 60.5 -45.9 237 255 A L S < S- 0 0 3 -3,-1.9 -3,-0.1 -6,-0.1 5,-0.0 -0.682 73.6-128.1 -89.1 132.5 73.1 59.3 -48.9 238 256 A D > - 0 0 60 -2,-0.4 4,-2.5 1,-0.1 3,-0.2 -0.150 33.6 -95.4 -67.8 169.3 71.3 57.4 -51.6 239 257 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.797 123.7 55.0 -59.7 -32.8 72.7 54.1 -52.9 240 258 A D H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.922 111.7 45.3 -66.5 -41.4 74.5 55.6 -55.8 241 259 A G H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 113.6 48.6 -66.8 -42.3 76.3 57.9 -53.4 242 260 A R H X S+ 0 0 52 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.874 109.9 52.7 -64.9 -38.3 77.1 55.1 -51.0 243 261 A S H X S+ 0 0 44 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.940 112.1 44.8 -62.4 -47.9 78.4 52.9 -53.8 244 262 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.928 112.9 51.2 -63.2 -44.6 80.8 55.6 -54.9 245 263 A L H X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.3 0.915 106.5 54.0 -60.9 -42.6 81.9 56.4 -51.4 246 264 A S H < S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.875 108.8 49.9 -61.0 -34.6 82.6 52.7 -50.7 247 265 A Q H >< S+ 0 0 69 -4,-1.6 10,-2.1 1,-0.2 3,-0.7 0.799 108.9 51.3 -74.4 -26.8 84.9 52.7 -53.7 248 266 A M H 3< S+ 0 0 0 -4,-1.6 -76,-0.2 -3,-0.3 -1,-0.2 0.680 112.1 49.0 -79.5 -18.7 86.7 55.8 -52.6 249 267 A L T 3< S+ 0 0 3 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.102 74.6 138.5-109.5 22.4 87.3 54.2 -49.2 250 268 A H < - 0 0 65 -3,-0.7 6,-0.2 1,-0.1 -3,-0.1 -0.445 53.2-136.3 -64.6 141.3 88.6 50.8 -50.3 251 269 A Y S S+ 0 0 16 -50,-0.1 -97,-0.2 -2,-0.1 -1,-0.1 0.954 86.3 77.0 -63.7 -51.3 91.5 49.8 -48.0 252 270 A D S >> S- 0 0 16 -44,-0.5 3,-2.5 1,-0.2 4,-2.0 -0.480 74.8-147.4 -67.1 113.8 93.7 48.6 -50.9 253 271 A P T 34 S+ 0 0 27 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.839 100.0 54.1 -48.7 -36.8 95.2 51.6 -52.7 254 272 A N T 34 S+ 0 0 151 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.614 110.8 44.0 -76.2 -13.7 95.1 49.6 -55.9 255 273 A K T <4 S+ 0 0 98 -3,-2.5 -1,-0.2 2,-0.1 3,-0.1 0.662 88.2 106.2-100.3 -22.4 91.4 48.8 -55.6 256 274 A R S < S- 0 0 13 -4,-2.0 -8,-0.2 -6,-0.2 -9,-0.1 -0.327 83.1-103.4 -59.2 134.9 90.5 52.4 -54.5 257 275 A I - 0 0 22 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.250 31.5-122.8 -63.0 145.5 88.7 54.1 -57.5 258 276 A S > - 0 0 60 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.463 21.4-114.7 -84.1 162.3 90.6 56.6 -59.6 259 277 A A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -149,-0.1 0.908 117.7 52.4 -62.6 -40.8 89.4 60.2 -60.0 260 278 A K H > S+ 0 0 169 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.919 112.4 43.1 -61.3 -46.0 88.8 59.5 -63.7 261 279 A A H >4 S+ 0 0 46 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.875 110.0 57.7 -69.2 -36.0 86.7 56.4 -63.1 262 280 A A H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -1,-0.2 0.887 97.8 60.9 -61.8 -37.8 84.8 58.1 -60.3 263 281 A L H 3< S+ 0 0 43 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.765 103.3 52.1 -61.1 -23.9 83.7 60.9 -62.7 264 282 A A T << S+ 0 0 84 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.438 83.0 122.1 -91.8 -1.0 82.0 58.2 -64.7 265 283 A H S X S- 0 0 18 -3,-1.9 3,-2.2 -4,-0.3 4,-0.1 -0.310 74.9-117.7 -64.4 143.4 80.1 56.8 -61.7 266 284 A P G > S+ 0 0 78 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.727 106.7 78.1 -52.4 -26.4 76.2 56.7 -62.0 267 285 A F G 3 S+ 0 0 1 -27,-0.3 3,-0.4 1,-0.3 -26,-0.1 0.794 93.8 50.9 -54.5 -29.6 76.0 59.1 -59.0 268 286 A F G X S+ 0 0 11 -3,-2.2 3,-1.5 -6,-0.2 -1,-0.3 0.291 75.7 104.4 -94.9 10.0 76.9 61.9 -61.4 269 287 A Q T < S+ 0 0 158 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.894 93.0 32.2 -57.0 -42.3 74.3 61.2 -64.0 270 288 A D T 3 S+ 0 0 90 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.063 87.5 148.2-104.8 25.2 72.2 64.1 -62.9 271 289 A V < + 0 0 40 -3,-1.5 2,-0.2 -172,-0.1 -174,-0.1 -0.275 17.4 170.3 -62.2 144.6 75.0 66.4 -61.8 272 290 A T - 0 0 80 -176,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.818 38.0-109.5-141.2 178.2 74.4 70.2 -62.2 273 291 A K - 0 0 127 -2,-0.2 -176,-0.1 -173,-0.0 -139,-0.1 -0.713 38.3-177.5-121.4 83.5 76.1 73.4 -61.0 274 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.270 27.3-118.1 -72.8 164.1 74.1 75.1 -58.4 275 293 A V - 0 0 112 -142,-0.0 2,-0.1 3,-0.0 -143,-0.1 -0.878 27.7-133.2-103.8 134.0 75.1 78.4 -56.9 276 294 A P - 0 0 14 0, 0.0 2,-1.0 0, 0.0 -143,-0.0 -0.463 15.5-117.9 -83.4 159.8 75.8 78.4 -53.1 277 295 A H - 0 0 140 -2,-0.1 2,-0.5 2,-0.0 -146,-0.0 -0.862 41.4-171.0 -95.9 105.3 74.4 81.0 -50.7 278 296 A L - 0 0 25 -2,-1.0 2,-0.7 -147,-0.1 -147,-0.0 -0.852 19.9-157.1-104.4 133.3 77.6 82.6 -49.4 279 297 A R 0 0 179 -2,-0.5 -192,-0.0 1,-0.2 -2,-0.0 -0.930 360.0 360.0-105.4 109.3 77.8 85.0 -46.5 280 298 A L 0 0 137 -2,-0.7 -1,-0.2 -201,-0.0 0, 0.0 0.746 360.0 360.0-104.6 360.0 81.0 86.9 -47.0