==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 24-MAR-11 3R8P . 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) . 14512.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.9 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 . 41 13.9 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 . 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 . 19 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 2 0 1 0 1 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 . 1 1 1 0 0 3 1 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 57 0, 0.0 3,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.1 -92.2 136.0 -74.9 2 2 A E + 0 0 178 1,-0.2 3,-0.0 3,-0.1 0, 0.0 0.676 360.0 51.9 -96.7 -22.7 -92.5 136.6 -78.7 3 3 A N S S+ 0 0 72 1,-0.1 21,-1.2 2,-0.0 22,-0.3 -0.229 93.4 86.5-109.5 43.2 -89.9 139.4 -79.0 4 4 A F E -A 23 0A 16 -3,-0.3 2,-0.7 19,-0.2 19,-0.2 -0.832 62.8-152.6-145.5 101.3 -87.1 137.6 -77.2 5 5 A Q E -A 22 0A 89 17,-1.6 17,-2.1 -2,-0.3 2,-1.2 -0.650 24.7-138.7 -75.1 115.2 -84.7 135.2 -79.0 6 6 A K E - 0 0 74 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.638 19.7-172.7 -83.4 94.2 -83.7 132.9 -76.2 7 7 A V E - 0 0 57 -2,-1.2 2,-0.3 13,-0.4 -1,-0.2 0.882 62.5 -32.0 -48.4 -51.7 -79.9 132.3 -76.6 8 8 A E E -A 20 0A 123 12,-1.4 12,-3.2 0, 0.0 2,-0.7 -0.985 60.3 -92.7-163.7 170.3 -79.8 129.7 -73.8 9 9 A K E -A 19 0A 123 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.860 35.5-173.5 -93.7 115.4 -81.1 128.4 -70.5 10 10 A I E - 0 0 86 8,-1.9 2,-0.3 -2,-0.7 9,-0.2 0.934 53.2 -57.1 -75.9 -50.3 -78.8 129.9 -67.9 11 11 A G E -A 18 0A 26 7,-1.5 7,-2.6 5,-0.0 2,-0.5 -0.911 50.3 -82.0-169.1-164.2 -80.2 128.1 -64.9 12 12 A E E -A 17 0A 92 -2,-0.3 5,-0.2 5,-0.2 143,-0.0 -0.989 40.9-162.9-128.1 118.2 -83.1 127.2 -62.7 13 13 A G - 0 0 9 3,-2.7 143,-0.3 -2,-0.5 144,-0.3 -0.075 38.4 -91.8 -87.5-168.6 -84.2 129.7 -60.0 14 14 A T S S+ 0 0 9 141,-0.2 142,-1.3 1,-0.1 143,-0.1 0.904 124.2 22.4 -70.9 -40.8 -86.3 129.3 -56.9 15 15 A Y S S- 0 0 25 1,-0.2 21,-0.7 140,-0.2 2,-0.3 0.702 128.5 -15.3-101.4 -26.7 -89.4 130.3 -58.8 16 16 A G E S- B 0 35A 1 19,-0.2 -3,-2.7 20,-0.1 -1,-0.2 -0.991 75.2 -65.6-168.0 175.7 -88.7 129.6 -62.5 17 17 A V E -AB 12 34A 10 17,-0.9 17,-2.7 -2,-0.3 2,-0.5 -0.381 41.5-143.8 -72.4 148.1 -86.4 128.9 -65.3 18 18 A V E -AB 11 33A 25 -7,-2.6 -8,-1.9 15,-0.2 -7,-1.5 -0.970 17.1-173.3-118.4 126.9 -83.9 131.6 -66.3 19 19 A Y E -AB 9 32A 44 13,-3.1 13,-3.3 -2,-0.5 2,-0.5 -0.851 26.2-128.9-115.7 152.5 -82.9 132.2 -70.0 20 20 A K E +AB 8 31A 45 -12,-3.2 -12,-1.4 -2,-0.3 -13,-0.4 -0.871 44.9 174.6 -93.1 133.0 -80.3 134.4 -71.5 21 21 A A E - B 0 30A 0 9,-2.7 9,-3.1 -2,-0.5 2,-0.5 -0.964 31.6-134.5-142.1 159.9 -82.2 136.3 -74.2 22 22 A R E -AB 5 29A 86 -17,-2.1 -17,-1.6 -2,-0.3 2,-0.6 -0.968 22.4-131.2-118.3 122.9 -81.8 139.1 -76.7 23 23 A N E > -A 4 0A 22 5,-3.6 4,-2.3 -2,-0.5 -19,-0.2 -0.619 13.4-150.3 -72.5 116.7 -84.4 141.9 -77.0 24 24 A K T 4 S+ 0 0 132 -21,-1.2 -1,-0.2 -2,-0.6 -20,-0.1 0.708 91.1 44.9 -62.9 -21.7 -85.1 142.2 -80.8 25 25 A L T 4 S+ 0 0 163 -22,-0.3 -1,-0.2 3,-0.1 -21,-0.0 0.909 127.7 21.9 -89.1 -49.5 -86.0 145.9 -80.5 26 26 A T T 4 S- 0 0 94 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.608 94.4-133.8 -92.2 -16.4 -83.2 147.3 -78.3 27 27 A G < + 0 0 44 -4,-2.3 -3,-0.1 1,-0.3 2,-0.0 0.441 53.6 150.8 76.6 -0.5 -80.8 144.5 -79.0 28 28 A E - 0 0 74 -6,-0.1 -5,-3.6 -5,-0.1 2,-0.5 -0.325 45.6-132.0 -67.9 146.5 -80.1 144.3 -75.3 29 29 A V E +B 22 0A 55 -7,-0.2 50,-0.7 -3,-0.1 2,-0.2 -0.873 36.9 171.6 -98.4 126.5 -79.1 140.9 -73.8 30 30 A V E -BC 21 78A 0 -9,-3.1 -9,-2.7 -2,-0.5 2,-0.6 -0.795 39.8-113.5-132.0 171.4 -81.1 140.2 -70.7 31 31 A A E -BC 20 77A 13 46,-2.8 46,-2.9 -2,-0.2 2,-0.6 -0.960 35.9-159.1-106.8 116.5 -81.7 137.4 -68.2 32 32 A L E -BC 19 76A 0 -13,-3.3 -13,-3.1 -2,-0.6 2,-0.5 -0.894 3.9-162.0-106.1 116.6 -85.3 136.4 -68.6 33 33 A K E -BC 18 75A 6 42,-2.8 42,-2.5 -2,-0.6 2,-0.6 -0.860 2.9-158.6 -99.6 130.0 -87.0 134.6 -65.7 34 34 A K E -BC 17 74A 32 -17,-2.7 -17,-0.9 -2,-0.5 2,-0.3 -0.935 15.4-177.8-112.5 116.9 -90.2 132.6 -66.4 35 35 A I E BC 16 73A 15 38,-3.0 38,-2.5 -2,-0.6 -19,-0.2 -0.810 360.0 360.0-118.4 155.9 -92.5 131.9 -63.5 36 36 A R 0 0 159 -21,-0.7 38,-0.1 -2,-0.3 -20,-0.1 0.364 360.0 360.0 -38.7 360.0 -95.8 130.0 -62.9 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 91 0, 0.0 34,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.3 -101.4 128.4 -60.8 39 42 A E - 0 0 197 32,-0.0 32,-0.0 0, 0.0 0, 0.0 -0.155 360.0 -63.7-104.4 35.4 -104.7 129.6 -59.5 40 43 A G S S- 0 0 43 31,-0.1 31,-0.1 2,-0.1 0, 0.0 0.213 78.5-102.9 103.7 -14.2 -104.5 133.0 -61.3 41 44 A V - 0 0 28 30,-0.1 5,-0.1 1,-0.1 30,-0.1 0.839 43.0 -84.9 61.2 114.9 -101.4 134.1 -59.3 42 45 A P >> - 0 0 90 0, 0.0 3,-1.1 0, 0.0 4,-0.9 -0.229 29.5-150.0 -50.3 121.5 -102.0 136.7 -56.5 43 46 A S H 3> S+ 0 0 53 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.701 93.4 75.1 -67.3 -19.1 -102.1 140.2 -58.0 44 47 A T H 3> S+ 0 0 90 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.878 95.5 49.7 -59.1 -37.5 -100.7 141.3 -54.6 45 48 A A H <> S+ 0 0 2 -3,-1.1 4,-3.4 2,-0.2 5,-0.3 0.896 105.9 55.6 -68.0 -42.6 -97.4 139.9 -55.7 46 49 A I H X S+ 0 0 34 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.903 108.9 47.0 -58.2 -43.6 -97.5 141.7 -59.0 47 50 A R H X S+ 0 0 163 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.955 114.9 46.7 -63.9 -47.5 -97.9 145.0 -57.3 48 51 A E H X S+ 0 0 58 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.917 115.1 45.6 -58.9 -48.3 -95.1 144.3 -54.9 49 52 A I H >< S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.2 4,-0.4 0.907 108.1 57.0 -65.0 -41.8 -92.8 143.0 -57.7 50 53 A S H >< S+ 0 0 34 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 0.875 98.7 61.6 -59.4 -33.2 -93.6 146.0 -59.9 51 54 A L H >< S+ 0 0 97 -4,-1.8 3,-1.7 1,-0.3 -1,-0.3 0.796 90.2 69.7 -62.8 -27.1 -92.5 148.3 -57.2 52 55 A L G X< S+ 0 0 12 -3,-1.3 3,-1.8 -4,-0.7 11,-0.3 0.697 77.4 80.0 -65.8 -16.0 -89.0 146.7 -57.4 53 56 A K G < S+ 0 0 70 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.750 94.8 48.2 -63.1 -18.2 -88.6 148.4 -60.8 54 57 A E G < S+ 0 0 130 -3,-1.7 2,-1.7 -4,-0.2 -1,-0.3 0.408 83.2 97.5 -99.8 0.1 -87.7 151.6 -58.9 55 58 A L < + 0 0 16 -3,-1.8 2,-0.5 -4,-0.2 8,-0.2 -0.562 58.6 166.5 -89.3 72.0 -85.2 149.9 -56.6 56 59 A N + 0 0 69 -2,-1.7 5,-0.1 6,-0.1 6,-0.0 -0.783 6.4 139.6-100.4 129.5 -82.2 150.9 -58.6 57 60 A H > - 0 0 42 -2,-0.5 3,-2.1 3,-0.5 54,-0.0 -0.976 57.1-112.6-160.2 148.7 -78.6 150.7 -57.4 58 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.728 118.0 46.3 -59.9 -20.9 -75.3 149.7 -58.9 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.8 2,-0.1 2,-0.4 0.241 99.4 80.9-106.5 17.1 -75.0 146.7 -56.7 60 63 A I B < S-e 140 0B 8 -3,-2.1 -3,-0.5 79,-0.3 2,-0.2 -0.984 89.3-114.5-121.5 125.8 -78.6 145.5 -57.3 61 64 A V - 0 0 10 79,-2.6 2,-0.2 -2,-0.4 82,-0.1 -0.420 43.0-112.5 -58.8 123.6 -79.3 143.5 -60.5 62 65 A K - 0 0 85 -2,-0.2 16,-2.3 -4,-0.1 2,-0.9 -0.398 17.2-143.6 -68.0 131.6 -81.6 145.8 -62.4 63 66 A L E -D 77 0A 13 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.849 21.1-179.4 -92.7 106.7 -85.2 144.7 -62.9 64 67 A L E - 0 0 38 12,-2.4 2,-0.3 -2,-0.9 13,-0.2 0.879 58.0 -9.8 -77.3 -40.7 -86.0 145.9 -66.4 65 68 A D E -D 76 0A 80 11,-1.5 11,-2.7 2,-0.0 2,-0.4 -0.992 47.1-148.0-158.6 159.4 -89.6 144.7 -66.7 66 69 A V E -D 75 0A 21 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.998 20.8-175.2-131.9 123.6 -92.4 142.6 -65.2 67 70 A I E -D 74 0A 49 7,-2.6 7,-3.0 -2,-0.4 2,-0.7 -0.970 11.2-168.3-129.1 120.6 -94.9 141.0 -67.5 68 71 A H E +D 73 0A 81 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.922 30.6 145.3-106.5 112.9 -97.9 139.0 -66.4 69 72 A T E > -D 72 0A 42 3,-2.4 3,-1.6 -2,-0.7 -2,-0.1 -0.989 57.8 -7.7-152.8 139.3 -99.4 137.2 -69.3 70 73 A E T 3 S- 0 0 151 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.884 125.3 -49.0 38.9 65.3 -101.2 133.8 -69.9 71 74 A N T 3 S+ 0 0 109 1,-0.2 2,-0.3 -31,-0.1 -1,-0.3 0.628 120.3 101.6 56.9 17.2 -100.7 132.3 -66.4 72 75 A K E < - D 0 69A 91 -3,-1.6 -3,-2.4 -31,-0.0 2,-0.5 -0.946 58.8-149.7-131.2 151.4 -97.0 133.2 -66.5 73 76 A L E -CD 35 68A 2 -38,-2.5 -38,-3.0 -2,-0.3 2,-0.5 -0.986 13.6-163.1-121.4 120.9 -94.9 135.9 -64.9 74 77 A Y E -CD 34 67A 21 -7,-3.0 -7,-2.6 -2,-0.5 2,-0.5 -0.884 3.6-165.6-105.6 133.1 -91.8 137.1 -66.7 75 78 A L E -CD 33 66A 0 -42,-2.5 -42,-2.8 -2,-0.5 2,-0.6 -0.983 9.1-155.0-117.1 121.0 -89.2 139.1 -64.9 76 79 A V E +CD 32 65A 3 -11,-2.7 -12,-2.4 -2,-0.5 -11,-1.5 -0.891 21.3 179.6-100.2 119.3 -86.7 140.7 -67.3 77 80 A F E -CD 31 63A 20 -46,-2.9 -46,-2.8 -2,-0.6 -14,-0.2 -0.816 35.4 -95.6-118.8 158.0 -83.3 141.4 -65.6 78 81 A E E -C 30 0A 47 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.361 48.8-119.1 -65.0 147.9 -80.0 142.9 -66.5 79 82 A F - 0 0 38 -50,-0.7 2,-0.4 -58,-0.1 -50,-0.1 -0.795 30.6-179.3 -98.2 133.5 -77.6 140.1 -67.5 80 83 A L - 0 0 16 -2,-0.4 53,-0.1 53,-0.1 52,-0.1 -0.959 29.2-127.9-125.5 148.6 -74.3 139.4 -65.7 81 84 A H S S+ 0 0 102 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.683 78.2 14.1 -76.5 -17.9 -72.0 136.6 -66.9 82 85 A Q E -F 132 0B 29 50,-1.3 50,-2.8 211,-0.0 2,-0.2 -0.992 61.8-131.3-153.8 155.4 -71.4 134.6 -63.8 83 86 A D E > -F 131 0B 28 -2,-0.3 4,-1.8 48,-0.3 48,-0.3 -0.695 31.3-113.1-105.3 163.7 -72.7 134.0 -60.2 84 87 A L H > S+ 0 0 0 46,-2.9 4,-2.8 43,-1.0 5,-0.2 0.777 113.3 60.7 -66.3 -27.2 -70.5 133.8 -57.1 85 88 A K H > S+ 0 0 54 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.966 108.5 43.6 -64.0 -48.8 -71.2 130.1 -56.5 86 89 A K H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.872 114.5 50.8 -62.5 -38.3 -69.6 129.3 -59.9 87 90 A F H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.907 109.9 49.1 -67.1 -42.7 -66.7 131.7 -59.2 88 91 A M H < S+ 0 0 17 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.913 111.5 49.1 -64.4 -41.4 -66.0 130.3 -55.7 89 92 A D H >< S+ 0 0 103 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.933 112.7 48.1 -62.0 -44.5 -66.0 126.7 -57.2 90 93 A A H 3< S+ 0 0 77 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.752 114.5 46.6 -66.3 -24.3 -63.6 127.9 -59.9 91 94 A S T 3X S+ 0 0 4 -4,-1.6 4,-3.5 1,-0.2 -1,-0.3 0.296 82.2 106.7-100.7 8.9 -61.5 129.6 -57.3 92 95 A A T <4 S+ 0 0 47 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.865 75.1 50.9 -55.5 -44.3 -61.5 126.6 -55.0 93 96 A L T 4 S+ 0 0 170 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.877 129.4 16.7 -66.4 -37.3 -57.9 125.5 -55.6 94 97 A T T 4 S- 0 0 103 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.653 102.9-128.0-111.4 -17.6 -56.3 128.9 -55.0 95 98 A G < - 0 0 10 -4,-3.5 -3,-0.1 -7,-0.2 99,-0.1 0.111 32.3 -73.3 84.7 155.9 -59.0 130.8 -53.1 96 99 A I - 0 0 12 97,-0.6 5,-0.1 1,-0.1 100,-0.0 -0.769 60.2-107.3 -84.7 126.1 -60.4 134.3 -53.9 97 100 A P >> - 0 0 73 0, 0.0 4,-2.1 0, 0.0 3,-1.3 -0.251 25.3-118.4 -55.2 141.0 -57.7 136.9 -53.0 98 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.830 111.5 58.6 -49.9 -42.3 -58.6 138.8 -49.8 99 102 A P H 3> S+ 0 0 66 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.858 110.0 43.4 -59.4 -34.3 -58.6 142.2 -51.6 100 103 A L H <> S+ 0 0 3 -3,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.851 112.4 52.5 -78.7 -36.2 -61.4 140.9 -53.9 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.946 111.9 47.4 -60.6 -46.0 -63.2 139.2 -51.1 102 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.914 111.7 49.7 -61.1 -45.3 -63.1 142.6 -49.3 103 106 A S H X S+ 0 0 3 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.913 111.9 48.6 -61.1 -43.5 -64.3 144.5 -52.4 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.921 112.6 46.7 -64.5 -43.9 -67.2 142.1 -52.9 105 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.907 111.4 52.7 -63.3 -42.0 -68.3 142.3 -49.3 106 109 A F H X S+ 0 0 55 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.917 113.3 43.5 -57.9 -46.2 -68.1 146.1 -49.4 107 110 A Q H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.867 111.6 52.9 -70.3 -38.4 -70.2 146.2 -52.5 108 111 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.911 108.4 51.3 -65.1 -40.4 -72.7 143.7 -51.3 109 112 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.860 107.5 53.4 -63.9 -34.9 -73.1 145.8 -48.1 110 113 A Q H X S+ 0 0 60 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.916 108.9 48.6 -65.1 -41.2 -73.7 148.9 -50.2 111 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.917 114.9 45.7 -63.6 -42.9 -76.5 147.0 -52.1 112 115 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.910 109.4 53.9 -65.6 -43.8 -78.0 145.9 -48.8 113 116 A A H X S+ 0 0 24 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.910 111.7 47.6 -56.9 -40.6 -77.7 149.4 -47.2 114 117 A F H X S+ 0 0 43 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.974 115.0 41.2 -65.6 -58.0 -79.6 150.8 -50.2 115 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 3,-1.3 0.932 115.2 52.1 -57.2 -46.8 -82.5 148.2 -50.3 116 119 A H H ><5S+ 0 0 21 -4,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.849 103.0 57.4 -59.6 -36.1 -82.8 148.3 -46.5 117 120 A S H 3<5S+ 0 0 86 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.704 108.9 48.2 -67.6 -18.9 -83.0 152.1 -46.4 118 121 A H T <<5S- 0 0 104 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.162 122.1-111.4-103.1 15.2 -86.0 151.6 -48.8 119 122 A R T < 5S+ 0 0 193 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.821 74.4 132.6 58.8 37.6 -87.4 148.9 -46.5 120 123 A V < - 0 0 12 -5,-2.1 2,-0.3 -8,-0.2 -1,-0.2 -0.975 35.3-167.4-119.3 130.4 -86.9 146.1 -48.9 121 124 A L - 0 0 39 -2,-0.4 23,-1.0 1,-0.2 26,-0.3 -0.793 19.0-151.2-112.0 158.6 -85.3 142.8 -47.7 122 125 A H - 0 0 4 -2,-0.3 24,-0.6 21,-0.2 -1,-0.2 0.905 19.0-174.2 -89.1 -57.2 -84.0 140.0 -49.8 123 126 A R S S+ 0 0 25 56,-0.1 20,-0.1 23,-0.1 -1,-0.1 0.134 71.3 54.7 84.1 -18.9 -84.6 137.1 -47.3 124 127 A D + 0 0 15 18,-0.1 2,-0.1 42,-0.1 5,-0.1 -0.159 67.1 163.9-139.5 47.5 -82.8 134.4 -49.3 125 128 A L + 0 0 1 40,-0.1 40,-0.1 3,-0.1 17,-0.1 -0.420 11.1 149.6 -65.6 136.4 -79.3 135.6 -50.1 126 129 A K > - 0 0 11 -2,-0.1 3,-1.9 1,-0.0 -42,-0.2 -0.963 61.3 -96.1-160.2 160.9 -77.0 132.9 -51.3 127 130 A P G > S+ 0 0 3 0, 0.0 3,-1.7 0, 0.0 -43,-1.0 0.832 118.3 66.4 -50.8 -37.4 -73.9 132.7 -53.6 128 131 A Q G 3 S+ 0 0 84 1,-0.3 -42,-0.1 -44,-0.2 -3,-0.1 0.732 103.7 44.1 -58.4 -29.1 -76.2 131.6 -56.4 129 132 A N G < S+ 0 0 9 -3,-1.9 12,-3.1 -5,-0.1 2,-0.6 0.180 91.2 91.8-106.4 20.3 -78.0 135.0 -56.5 130 133 A L E < - G 0 140B 0 -3,-1.7 -46,-2.9 10,-0.2 2,-0.4 -0.964 64.6-161.4-110.0 119.6 -74.9 137.2 -56.3 131 134 A L E -FG 83 139B 33 8,-2.8 8,-2.7 -2,-0.6 2,-0.3 -0.857 6.1-163.9-109.7 142.2 -73.7 138.0 -59.8 132 135 A I E -FG 82 138B 0 -50,-2.8 -50,-1.3 -2,-0.4 2,-0.2 -0.832 3.2-162.5-122.6 158.4 -70.4 139.2 -60.9 133 136 A N > - 0 0 35 4,-1.6 3,-1.0 -2,-0.3 -53,-0.1 -0.708 39.9 -97.1-126.3-179.6 -68.9 140.9 -64.0 134 137 A T T 3 S+ 0 0 66 1,-0.2 159,-0.1 -2,-0.2 -2,-0.0 0.668 113.1 70.2 -72.0 -19.7 -65.4 141.4 -65.5 135 138 A E T 3 S- 0 0 129 155,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.499 117.6-102.7 -76.9 -8.1 -65.2 144.9 -64.0 136 139 A G S < S+ 0 0 0 -3,-1.0 2,-0.2 1,-0.3 -2,-0.1 0.549 79.2 134.3 95.3 7.1 -64.9 143.7 -60.4 137 140 A A - 0 0 10 151,-0.1 -4,-1.6 -30,-0.0 2,-0.3 -0.562 36.3-165.3 -89.2 156.9 -68.5 144.5 -59.6 138 141 A I E - G 0 132B 0 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.992 7.6-168.3-138.9 141.2 -70.9 142.2 -57.8 139 142 A K E - G 0 131B 33 -8,-2.7 -8,-2.8 -2,-0.3 2,-0.5 -0.974 22.1-121.0-135.3 148.1 -74.7 142.6 -57.6 140 143 A L E -eG 60 130B 2 -81,-2.8 -79,-2.6 -2,-0.3 2,-0.3 -0.745 30.1-162.2 -88.8 129.5 -77.5 141.1 -55.6 141 144 A A + 0 0 13 -12,-3.1 -12,-0.1 -2,-0.5 -79,-0.1 -0.787 64.3 26.6-109.9 156.6 -80.2 139.3 -57.7 142 145 A D S > S+ 0 0 24 -2,-0.3 3,-1.4 1,-0.2 4,-0.5 0.657 74.4 168.6 70.8 17.8 -83.8 138.4 -56.7 143 146 A F T 3 + 0 0 9 -3,-0.3 -1,-0.2 1,-0.2 -21,-0.2 -0.367 66.0 11.4 -61.2 140.3 -84.2 141.1 -54.1 144 147 A G T 3> S+ 0 0 1 -23,-1.0 4,-1.1 1,-0.1 3,-0.3 0.263 94.2 107.4 77.6 -12.2 -87.7 141.5 -52.9 145 148 A L H <> S+ 0 0 5 -3,-1.4 4,-2.8 1,-0.2 5,-0.4 0.813 72.2 60.8 -69.2 -29.6 -89.1 138.3 -54.5 146 149 A A H > S+ 0 0 11 -24,-0.6 4,-2.1 -4,-0.5 -1,-0.2 0.862 100.3 53.4 -66.5 -35.2 -89.4 136.6 -51.2 147 150 A R H 4 S+ 0 0 128 -26,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.900 115.3 43.4 -65.4 -35.0 -91.9 139.2 -49.8 148 151 A A H < S+ 0 0 19 -4,-1.1 -2,-0.2 1,-0.1 -1,-0.2 0.906 133.8 12.3 -76.9 -43.7 -93.9 138.5 -52.9 149 152 A F H < S- 0 0 66 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.560 96.1-127.5-112.2 -12.5 -93.8 134.7 -53.2 150 153 A G < - 0 0 32 -4,-2.1 -1,-0.2 -5,-0.4 -3,-0.1 -0.163 36.5 -78.4 82.0 170.4 -92.4 133.5 -49.9 151 154 A V - 0 0 27 -4,-0.1 -1,-0.1 -2,-0.0 4,-0.1 -0.958 52.4-148.4-109.9 115.7 -89.4 131.1 -49.8 152 155 A P - 0 0 49 0, 0.0 9,-0.1 0, 0.0 3,-0.1 -0.271 20.3-121.6 -80.3 168.3 -90.5 127.6 -50.6 153 156 A V S S+ 0 0 107 1,-0.2 8,-2.3 7,-0.1 2,-0.3 0.882 100.4 23.8 -74.7 -37.9 -89.1 124.3 -49.2 154 157 A R B S-H 160 0C 127 6,-0.2 6,-0.2 1,-0.0 -1,-0.2 -0.930 85.4-117.5-126.3 153.4 -88.4 123.2 -52.8 155 158 A T > - 0 0 7 4,-3.0 3,-2.4 -2,-0.3 -140,-0.2 -0.162 45.8 -87.7 -77.8 178.0 -87.9 125.1 -56.0 156 159 A Y T 3 S+ 0 0 56 -142,-1.3 -141,-0.1 -143,-0.3 -142,-0.1 0.680 134.5 51.2 -63.1 -16.4 -90.2 124.7 -59.0 157 160 A T T 3 S- 0 0 42 -144,-0.3 -1,-0.3 -143,-0.1 3,-0.1 0.332 122.6-108.9 -99.8 4.4 -88.0 121.8 -60.1 158 161 A H < + 0 0 145 -3,-2.4 -2,-0.1 1,-0.3 2,-0.1 0.437 69.2 149.7 80.3 6.2 -88.3 120.2 -56.6 159 162 A E - 0 0 91 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.409 56.8-103.1 -66.9 143.1 -84.7 121.1 -55.8 160 163 A V B -H 154 0C 91 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.523 30.2-128.1 -71.5 129.5 -84.1 121.7 -52.1 161 164 A V - 0 0 6 -8,-2.3 -1,-0.1 -2,-0.3 -10,-0.0 -0.660 37.0-106.9 -76.6 129.9 -83.8 125.4 -51.4 162 165 A T - 0 0 35 -2,-0.4 3,-0.2 1,-0.1 -1,-0.1 -0.293 28.6-169.2 -65.6 141.9 -80.7 125.8 -49.4 163 166 A L > + 0 0 23 39,-0.4 3,-1.9 1,-0.1 -1,-0.1 0.461 61.9 102.1-102.1 -7.0 -80.8 126.5 -45.6 164 167 A W T 3 S+ 0 0 88 1,-0.3 36,-0.3 38,-0.2 -1,-0.1 0.697 86.4 37.5 -54.3 -28.2 -77.1 127.3 -45.3 165 168 A Y T 3 S+ 0 0 14 -3,-0.2 2,-0.3 -40,-0.1 -1,-0.3 0.301 85.8 126.4-110.1 9.9 -77.6 131.0 -45.2 166 169 A R < - 0 0 32 -3,-1.9 -42,-0.1 1,-0.1 16,-0.1 -0.506 60.9-121.1 -76.5 128.3 -80.7 131.2 -43.1 167 170 A A >> - 0 0 0 -2,-0.3 4,-1.7 14,-0.2 3,-0.9 -0.280 20.8-119.1 -64.5 150.6 -80.7 133.4 -40.0 168 171 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.814 110.1 62.3 -63.8 -29.7 -81.5 131.6 -36.7 169 172 A E H 34>S+ 0 0 7 1,-0.2 5,-2.7 2,-0.2 -2,-0.0 0.840 104.8 48.6 -67.1 -28.0 -84.5 133.8 -36.0 170 173 A I H X45S+ 0 0 17 -3,-0.9 3,-1.6 3,-0.2 -1,-0.2 0.931 110.9 49.6 -73.2 -44.7 -86.1 132.3 -39.1 171 174 A L H 3<5S+ 0 0 6 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.816 108.9 54.5 -62.2 -30.7 -85.2 128.8 -38.1 172 175 A L T 3<5S- 0 0 0 -4,-2.2 60,-2.8 -5,-0.2 61,-0.4 0.338 124.6 -99.2 -87.5 5.4 -86.7 129.5 -34.6 173 176 A G T < 5 + 0 0 15 -3,-1.6 -3,-0.2 58,-0.2 -2,-0.1 0.637 54.6 172.6 93.9 14.3 -90.0 130.6 -36.0 174 177 A C < - 0 0 22 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.260 21.7-155.8 -56.3 143.3 -90.0 134.3 -36.0 175 178 A K S S+ 0 0 142 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.811 78.5 55.0 -89.9 -33.8 -93.1 135.8 -37.8 176 179 A Y S S- 0 0 213 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.872 72.9-152.7-107.6 128.6 -91.4 139.1 -38.7 177 180 A Y - 0 0 102 -2,-0.5 2,-0.2 -3,-0.1 -56,-0.0 -0.843 11.7-160.3 -98.2 132.2 -88.2 139.2 -40.6 178 181 A S > - 0 0 49 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.597 39.1 -97.4-104.7 170.7 -85.9 142.2 -40.1 179 182 A T T >> S+ 0 0 50 1,-0.3 3,-1.1 -2,-0.2 4,-1.0 0.720 115.5 80.1 -58.1 -18.1 -83.2 143.5 -42.3 180 183 A A H 3> S+ 0 0 7 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.778 76.8 69.9 -61.7 -26.0 -80.9 141.6 -40.0 181 184 A V H <> S+ 0 0 1 -3,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.870 99.0 48.5 -62.5 -34.7 -81.7 138.4 -41.8 182 185 A D H <> S+ 0 0 0 -3,-1.1 4,-2.5 -4,-0.3 -1,-0.2 0.834 107.0 54.7 -72.6 -32.9 -79.8 139.6 -44.8 183 186 A I H X S+ 0 0 1 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.887 107.7 51.6 -65.7 -39.3 -76.7 140.6 -42.8 184 187 A W H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.960 110.3 47.4 -61.8 -51.5 -76.6 137.1 -41.4 185 188 A S H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.918 112.3 49.7 -57.1 -45.2 -76.7 135.5 -44.8 186 189 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.884 107.9 54.2 -63.7 -37.4 -74.0 137.8 -46.1 187 190 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 76,-0.2 -1,-0.2 0.921 108.1 49.1 -60.3 -44.6 -71.8 137.0 -43.1 188 191 A C H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 11,-0.4 0.869 112.9 48.6 -62.1 -36.1 -72.1 133.3 -43.9 189 192 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.900 108.1 53.5 -71.2 -38.6 -71.2 134.1 -47.5 190 193 A F H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.939 110.0 48.3 -58.6 -48.0 -68.2 136.2 -46.3 191 194 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 6,-0.3 0.874 109.8 52.8 -61.4 -39.3 -66.9 133.2 -44.3 192 195 A E H X S+ 0 0 12 -4,-1.7 4,-2.3 1,-0.2 5,-0.4 0.888 107.0 51.2 -66.6 -39.9 -67.4 130.9 -47.2 193 196 A M H < S+ 0 0 3 -4,-2.3 -97,-0.6 1,-0.2 -1,-0.2 0.917 114.3 44.9 -63.4 -40.8 -65.3 133.1 -49.5 194 197 A V H < S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.927 125.3 29.0 -69.6 -45.7 -62.5 133.2 -47.0 195 198 A T H < S- 0 0 45 -4,-2.7 -2,-0.2 2,-0.3 -3,-0.2 0.653 95.6-130.3 -91.8 -16.4 -62.4 129.5 -46.0 196 199 A R S < S+ 0 0 126 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.1 0.777 79.9 87.7 66.7 32.4 -63.7 128.0 -49.3 197 200 A R S S- 0 0 193 -5,-0.4 -2,-0.3 -6,-0.3 -1,-0.2 -0.972 90.0 -95.8-153.5 142.4 -66.2 125.9 -47.5 198 201 A A - 0 0 16 -2,-0.3 -9,-0.1 1,-0.1 -10,-0.0 -0.330 29.1-140.9 -59.0 143.5 -69.8 126.7 -46.4 199 202 A L S S+ 0 0 27 -11,-0.4 -1,-0.1 1,-0.3 -34,-0.1 0.946 92.0 14.9 -72.8 -48.4 -69.9 127.9 -42.8 200 203 A F S S- 0 0 4 -36,-0.3 2,-2.1 2,-0.1 -1,-0.3 -0.737 70.4-178.0-130.0 79.3 -73.1 126.1 -41.8 201 204 A P + 0 0 38 0, 0.0 7,-0.1 0, 0.0 -37,-0.1 -0.333 17.2 178.0 -80.1 62.8 -73.9 123.4 -44.4 202 205 A G - 0 0 4 -2,-2.1 -39,-0.4 1,-0.1 -38,-0.2 -0.294 24.5-165.5 -66.0 144.9 -77.2 122.2 -42.8 203 206 A D S S+ 0 0 133 1,-0.1 2,-0.3 -40,-0.1 -1,-0.1 0.247 76.6 18.8-116.5 16.0 -79.2 119.5 -44.6 204 207 A S S > S- 0 0 48 1,-0.1 4,-2.5 -41,-0.0 5,-0.2 -0.930 90.1 -97.7-166.3 166.8 -82.4 119.9 -42.6 205 208 A E H > S+ 0 0 99 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.933 124.4 44.0 -64.3 -40.9 -83.8 122.7 -40.4 206 209 A I H > S+ 0 0 81 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.859 113.2 51.0 -72.4 -32.7 -82.6 121.2 -37.2 207 210 A D H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.892 111.5 49.5 -69.1 -37.3 -79.2 120.3 -38.6 208 211 A Q H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.962 113.4 45.2 -63.9 -49.7 -78.9 123.9 -39.8 209 212 A L H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.929 114.3 48.4 -60.4 -45.6 -79.8 125.2 -36.4 210 213 A F H X S+ 0 0 35 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.839 107.7 54.7 -68.9 -29.7 -77.5 122.8 -34.5 211 214 A R H X S+ 0 0 88 -4,-2.2 4,-1.3 2,-0.2 5,-0.2 0.932 109.7 48.0 -66.1 -42.7 -74.6 123.5 -36.8 212 215 A I H >X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 3,-0.5 0.950 113.1 48.5 -59.5 -47.1 -75.0 127.2 -35.9 213 216 A F H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.883 105.8 57.1 -60.9 -42.3 -75.2 126.3 -32.2 214 217 A R H 3< S+ 0 0 93 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.792 118.4 32.2 -61.2 -29.5 -72.1 124.1 -32.4 215 218 A T H << S+ 0 0 31 -4,-1.3 28,-3.4 -3,-0.5 -2,-0.2 0.890 131.3 29.9 -93.4 -47.4 -70.0 127.0 -33.7 216 219 A L H < S- 0 0 11 -4,-3.1 26,-0.3 26,-0.2 -3,-0.2 0.497 114.2-105.4 -93.4 -3.5 -71.6 130.1 -32.0 217 220 A G < - 0 0 7 -4,-2.2 24,-0.2 24,-0.4 -1,-0.2 0.195 44.9 -67.4 91.1 146.4 -72.8 128.4 -28.9 218 221 A T - 0 0 19 22,-2.3 24,-0.1 -4,-0.1 -8,-0.0 -0.541 64.3-117.1 -66.8 125.1 -76.4 127.5 -28.0 219 222 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.310 38.3 177.7 -66.2 147.7 -78.2 130.8 -27.6 220 223 A D > - 0 0 66 -3,-0.0 4,-2.5 7,-0.0 3,-0.2 -0.800 49.0 -85.4-137.4-179.7 -79.7 131.8 -24.3 221 224 A E T 4 S+ 0 0 78 -2,-0.2 6,-0.0 1,-0.2 0, 0.0 0.726 120.4 66.3 -63.8 -19.3 -81.5 134.8 -22.8 222 225 A V T 4 S+ 0 0 121 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.970 116.2 22.0 -67.2 -52.2 -78.1 136.3 -22.0 223 226 A V T 4 S+ 0 0 66 1,-0.2 44,-0.5 -3,-0.2 -2,-0.2 0.757 136.9 32.7 -89.1 -20.5 -77.0 136.9 -25.6 224 227 A W S >< S- 0 0 12 -4,-2.5 3,-2.4 42,-0.1 4,-0.3 -0.710 77.2-148.8-139.8 86.2 -80.5 136.8 -27.1 225 228 A P T 3 S+ 0 0 75 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.310 86.6 16.1 -56.5 126.2 -83.3 138.2 -25.0 226 229 A G T > S+ 0 0 33 -2,-0.1 3,-1.5 4,-0.0 4,-0.3 0.328 85.4 121.3 94.2 -6.4 -86.5 136.5 -25.8 227 230 A V G X S+ 0 0 0 -3,-2.4 3,-1.6 1,-0.3 6,-0.1 0.867 71.6 56.7 -58.8 -36.9 -85.0 133.5 -27.6 228 231 A T G 3 S+ 0 0 62 -4,-0.3 -1,-0.3 1,-0.3 5,-0.0 0.645 104.7 54.9 -71.0 -11.5 -86.5 131.0 -25.2 229 232 A S G < S+ 0 0 102 -3,-1.5 -1,-0.3 3,-0.0 -2,-0.2 0.383 80.9 119.2 -99.6 1.5 -89.9 132.4 -26.1 230 233 A M S X S- 0 0 28 -3,-1.6 3,-1.8 -4,-0.3 -57,-0.1 -0.381 76.9-110.3 -69.3 147.3 -89.5 131.9 -29.8 231 234 A P T 3 S+ 0 0 60 0, 0.0 -58,-0.2 0, 0.0 -1,-0.1 0.819 113.0 30.3 -43.9 -45.5 -92.1 129.5 -31.6 232 235 A D T 3 S+ 0 0 77 -60,-2.8 2,-0.2 2,-0.1 -59,-0.2 0.246 86.8 122.0-106.5 15.8 -89.7 126.7 -32.3 233 236 A Y < - 0 0 32 -3,-1.8 -5,-0.0 -61,-0.4 3,-0.0 -0.566 43.8-163.8 -75.7 140.4 -87.3 127.1 -29.5 234 237 A K > - 0 0 108 -2,-0.2 3,-2.1 1,-0.1 -2,-0.1 -0.997 24.0-142.5-127.7 129.2 -87.1 123.9 -27.4 235 238 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.745 101.4 68.2 -59.8 -19.6 -85.6 123.7 -23.9 236 239 A S T 3 + 0 0 102 2,-0.0 3,-0.1 -3,-0.0 -3,-0.0 0.390 67.8 123.8 -81.9 3.5 -84.2 120.3 -24.9 237 240 A F S < S- 0 0 14 -3,-2.1 -19,-0.0 1,-0.1 -4,-0.0 -0.421 73.4-105.7 -62.1 140.1 -81.8 121.8 -27.5 238 241 A P - 0 0 56 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.301 29.5-122.4 -64.6 154.9 -78.3 120.6 -26.6 239 242 A K - 0 0 176 -3,-0.1 2,-0.3 -22,-0.1 -25,-0.0 -0.851 34.7-179.5-107.8 101.1 -76.0 123.2 -25.0 240 243 A W - 0 0 76 -2,-0.8 -22,-2.3 -30,-0.0 2,-0.2 -0.729 25.7-118.7 -98.5 148.6 -72.9 123.7 -27.0 241 244 A A - 0 0 76 -2,-0.3 -24,-0.4 -24,-0.2 2,-0.2 -0.587 33.6-102.8 -86.1 147.9 -70.1 126.1 -26.2 242 245 A R - 0 0 125 -26,-0.3 -26,-0.2 -2,-0.2 2,-0.2 -0.469 33.8-137.5 -71.9 136.9 -69.1 128.9 -28.5 243 246 A Q - 0 0 66 -28,-3.4 2,-0.3 -2,-0.2 -1,-0.1 -0.618 23.7-100.7 -94.6 155.0 -66.0 128.5 -30.6 244 247 A D >> - 0 0 117 -2,-0.2 3,-2.2 1,-0.1 4,-1.2 -0.550 21.8-132.6 -75.8 133.2 -63.3 131.1 -31.3 245 248 A F H 3> S+ 0 0 14 1,-0.3 4,-2.6 -2,-0.3 -1,-0.1 0.733 105.5 71.0 -56.3 -22.2 -63.5 132.8 -34.6 246 249 A S H 34 S+ 0 0 54 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.853 104.6 41.0 -62.6 -31.0 -59.8 132.2 -35.0 247 250 A K H <4 S+ 0 0 141 -3,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.787 115.2 52.6 -84.6 -27.3 -60.8 128.6 -35.5 248 251 A V H < S+ 0 0 27 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.906 122.5 18.3 -78.1 -44.8 -63.8 129.3 -37.6 249 252 A V S >< S- 0 0 0 -4,-2.6 3,-2.6 3,-0.1 -1,-0.2 -0.318 90.2-158.4-126.8 53.1 -62.4 131.5 -40.4 250 253 A P T 3 + 0 0 67 0, 0.0 3,-0.1 0, 0.0 -4,-0.0 -0.494 68.8 16.9 -72.6 147.4 -58.7 131.1 -40.4 251 254 A P T 3 S+ 0 0 126 0, 0.0 -5,-0.1 0, 0.0 -4,-0.1 -0.761 86.8 124.1-108.2 44.3 -56.7 132.8 -41.5 252 255 A L < - 0 0 9 -3,-2.6 -3,-0.1 1,-0.1 -61,-0.0 -0.265 63.1-111.3 -56.7 140.4 -58.8 136.0 -41.7 253 256 A D > - 0 0 59 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.126 30.5 -95.8 -71.0 169.0 -57.3 138.9 -39.8 254 257 A E H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.786 122.2 54.9 -58.1 -31.2 -58.7 140.5 -36.6 255 258 A D H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.929 112.6 42.8 -68.9 -43.4 -60.6 143.2 -38.5 256 259 A G H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.896 114.0 50.9 -68.1 -39.7 -62.4 140.7 -40.7 257 260 A R H X S+ 0 0 66 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.912 110.2 50.9 -63.5 -40.1 -63.1 138.4 -37.7 258 261 A S H X S+ 0 0 34 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.943 112.2 45.5 -61.2 -47.4 -64.5 141.3 -35.8 259 262 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.923 112.4 50.9 -63.7 -43.9 -66.8 142.3 -38.6 260 263 A L H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 3,-0.2 0.924 107.3 54.1 -62.0 -41.6 -67.9 138.7 -39.2 261 264 A S H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.886 109.2 48.3 -60.5 -34.8 -68.7 138.3 -35.5 262 265 A Q H >< S+ 0 0 65 -4,-1.7 10,-2.1 1,-0.2 3,-0.7 0.795 109.4 52.6 -74.9 -26.3 -70.9 141.4 -35.6 263 266 A M H 3< S+ 0 0 0 -4,-1.7 -76,-0.2 -3,-0.2 -1,-0.2 0.704 112.4 47.0 -78.9 -19.7 -72.7 140.1 -38.7 264 267 A L T 3< S+ 0 0 6 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.138 74.8 138.1-109.9 19.4 -73.4 136.8 -36.9 265 268 A H < - 0 0 70 -3,-0.7 6,-0.1 1,-0.1 -3,-0.1 -0.385 53.9-135.2 -59.5 141.6 -74.7 138.1 -33.5 266 269 A Y S S+ 0 0 18 -50,-0.1 -97,-0.2 4,-0.1 -1,-0.1 0.946 87.2 78.0 -65.8 -48.5 -77.7 136.0 -32.5 267 270 A D S >> S- 0 0 18 -44,-0.5 4,-1.7 1,-0.2 3,-1.7 -0.514 71.5-153.5 -66.2 112.8 -79.9 138.9 -31.5 268 271 A P T 34 S+ 0 0 26 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.833 95.9 57.1 -56.4 -33.1 -81.2 140.4 -34.7 269 272 A N T 34 S+ 0 0 148 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.724 112.5 40.8 -71.4 -20.4 -81.5 143.8 -32.9 270 273 A K T <4 S+ 0 0 97 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.638 87.1 110.6 -98.3 -22.8 -77.8 143.7 -32.1 271 274 A R S < S- 0 0 13 -4,-1.7 -8,-0.2 -6,-0.1 -9,-0.1 -0.310 82.2 -98.2 -57.2 135.3 -76.6 142.3 -35.4 272 275 A I - 0 0 19 -10,-2.1 2,-0.1 -13,-0.2 -1,-0.1 -0.172 36.2-123.5 -56.8 145.2 -74.7 145.0 -37.2 273 276 A S > - 0 0 58 1,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.484 19.8-114.9 -85.0 164.5 -76.5 147.0 -39.9 274 277 A A H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -161,-0.2 0.920 117.8 52.2 -64.4 -42.4 -75.3 147.2 -43.5 275 278 A K H > S+ 0 0 170 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.932 112.2 43.6 -60.6 -47.0 -74.7 150.9 -43.0 276 279 A A H >4 S+ 0 0 49 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.866 109.2 58.3 -67.0 -35.7 -72.6 150.5 -39.9 277 280 A A H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.870 96.7 62.1 -62.1 -36.0 -70.7 147.6 -41.4 278 281 A L H 3< S+ 0 0 41 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 104.1 49.8 -60.5 -26.7 -69.5 149.9 -44.3 279 282 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.380 82.9 124.4 -92.5 3.1 -67.8 152.0 -41.7 280 283 A H S X S- 0 0 17 -3,-1.8 3,-2.5 -4,-0.2 4,-0.2 -0.367 74.2-117.9 -65.4 141.8 -66.0 149.0 -40.0 281 284 A P G > S+ 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.729 108.4 77.6 -51.1 -23.2 -62.2 149.3 -39.8 282 285 A F G > S+ 0 0 1 -27,-0.3 3,-0.5 1,-0.3 -26,-0.1 0.843 92.8 50.8 -57.7 -31.3 -62.0 146.2 -42.1 283 286 A F G X S+ 0 0 12 -3,-2.5 3,-1.8 -6,-0.2 -1,-0.3 0.371 76.4 105.9 -91.6 9.1 -62.8 148.4 -45.0 284 287 A Q G < S+ 0 0 170 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.843 92.9 29.6 -52.8 -40.6 -60.1 150.9 -44.3 285 288 A D G < S+ 0 0 105 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.008 86.7 150.2-111.8 27.8 -58.0 149.7 -47.2 286 289 A V < + 0 0 41 -3,-1.8 2,-0.2 -184,-0.1 -186,-0.1 -0.319 16.7 172.2 -65.3 144.7 -60.7 148.4 -49.5 287 290 A T - 0 0 84 -188,-0.4 -2,-0.0 2,-0.0 -1,-0.0 -0.745 37.4-110.6-137.6-178.7 -59.9 148.6 -53.2 288 291 A K + 0 0 127 -2,-0.2 -188,-0.1 -185,-0.0 -151,-0.1 -0.685 39.2 178.8-125.1 78.8 -61.7 147.4 -56.4 289 292 A P - 0 0 36 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.261 26.8-121.8 -71.7 164.0 -59.6 144.5 -57.9 290 293 A V - 0 0 103 -154,-0.0 -155,-0.1 3,-0.0 2,-0.1 -0.898 21.2-131.6-109.4 138.8 -60.8 142.7 -61.0 291 294 A P - 0 0 13 0, 0.0 2,-0.9 0, 0.0 -155,-0.0 -0.420 23.5-111.1 -81.2 164.4 -61.4 139.0 -60.9 292 295 A H - 0 0 130 -2,-0.1 2,-0.5 2,-0.0 -158,-0.0 -0.869 44.2-177.0 -96.7 106.9 -59.9 136.7 -63.6 293 296 A L - 0 0 33 -2,-0.9 2,-0.8 -159,-0.1 -159,-0.0 -0.927 20.3-162.6-110.4 127.9 -63.0 135.6 -65.5 294 297 A R 0 0 238 -2,-0.5 -2,-0.0 1,-0.2 0, 0.0 -0.902 360.0 360.0-107.4 100.1 -62.9 133.2 -68.4 295 298 A L 0 0 143 -2,-0.8 -1,-0.2 -213,-0.0 0, 0.0 0.877 360.0 360.0 -91.3 360.0 -66.2 133.7 -70.1