==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL CYCLE 10-SEP-03 1UNG . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MAPELLI,C.CROVACE,L.MASSIMILIANO,A.MUSACCHIO . 852 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 65 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 54 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 279 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 1 1 3 0 0 3 2 3 0 3 1 1 1 0 1 2 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 5 3 1 1 2 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 . 2 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 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 46 0, 0.0 3,-4.5 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 72.8 23.3 66.9 -2.7 2 2 A Q T 3 + 0 0 153 1,-0.3 19,-0.1 19,-0.0 0, 0.0 0.512 360.0 55.2 -18.2 -46.7 25.2 67.5 -6.0 3 3 A K T 3 S+ 0 0 62 17,-0.1 18,-3.4 18,-0.1 19,-0.4 0.814 107.8 56.6 -62.5 -32.0 22.9 65.2 -8.0 4 4 A Y E < -A 20 0A 14 -3,-4.5 2,-0.5 16,-0.2 16,-0.2 -0.806 65.9-149.9-114.2 144.8 19.8 67.2 -7.0 5 5 A E E -A 19 0A 70 14,-2.7 14,-2.4 -2,-0.3 2,-0.3 -0.954 25.6-128.7-108.6 122.4 18.7 70.8 -7.2 6 6 A K E +A 18 0A 78 -2,-0.5 12,-0.2 12,-0.2 3,-0.1 -0.544 27.5 177.5 -75.5 128.8 16.4 71.9 -4.4 7 7 A L E - 0 0 76 10,-3.3 2,-0.3 1,-0.4 11,-0.2 0.866 59.8 -33.6 -99.4 -43.2 13.3 73.6 -5.8 8 8 A E E -A 17 0A 105 9,-1.5 9,-3.6 0, 0.0 -1,-0.4 -0.929 57.2-102.5-173.4 149.1 11.3 74.4 -2.7 9 9 A K E A 16 0A 138 -2,-0.3 7,-0.3 7,-0.3 5,-0.0 -0.540 360.0 360.0 -73.1 146.2 10.6 73.1 0.8 10 10 A I 0 0 93 5,-3.3 6,-0.2 -2,-0.2 -1,-0.1 0.117 360.0 360.0-140.7 360.0 7.2 71.5 1.0 11 ! 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 12 15 A Y 0 0 99 0, 0.0 2,-0.2 0, 0.0 33,-0.1 0.000 360.0 360.0 360.0 4.2 10.6 63.5 11.6 13 16 A G - 0 0 45 19,-0.1 2,-0.5 32,-0.0 19,-0.2 -0.858 360.0 -73.4-150.0-165.7 12.5 65.6 9.0 14 17 A T E - B 0 31A 58 17,-1.3 17,-2.7 -2,-0.2 2,-0.4 -0.917 39.1-151.9 -99.3 131.9 12.4 68.4 6.3 15 18 A V E - B 0 30A 50 -2,-0.5 -5,-3.3 15,-0.2 2,-0.3 -0.842 13.9-177.0-106.7 129.7 10.8 67.7 2.9 16 19 A F E -AB 9 29A 37 13,-2.5 13,-2.7 -2,-0.4 2,-0.4 -0.956 27.2-131.3-124.3 144.5 11.9 69.4 -0.5 17 20 A K E +AB 8 28A 56 -9,-3.6 -10,-3.3 -2,-0.3 -9,-1.5 -0.759 45.4 171.2 -85.6 133.4 10.7 69.3 -4.0 18 21 A A E -AB 6 27A 0 9,-2.7 9,-2.7 -2,-0.4 2,-0.4 -0.938 32.2-126.3-141.3 173.0 13.8 68.8 -6.2 19 22 A K E -AB 5 26A 69 -14,-2.4 -14,-2.7 -2,-0.3 2,-0.4 -0.975 22.7-126.2-121.1 132.0 15.1 68.1 -9.6 20 23 A N E > -A 4 0A 12 5,-3.0 4,-2.0 -2,-0.4 -16,-0.2 -0.612 18.2-150.4 -69.3 121.5 17.6 65.3 -10.7 21 24 A R T 4 S+ 0 0 132 -18,-3.4 -1,-0.2 -2,-0.4 -17,-0.1 0.798 92.4 51.2 -70.1 -18.9 20.3 67.2 -12.5 22 25 A E T 4 S+ 0 0 157 -19,-0.4 -1,-0.2 1,-0.1 -18,-0.1 0.816 128.3 13.7 -91.4 -31.1 21.0 64.2 -14.6 23 26 A T T 4 S- 0 0 82 2,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.423 91.6-128.0-116.5 -12.0 17.4 63.3 -15.9 24 27 A H < + 0 0 127 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.472 57.2 149.5 66.1 5.7 15.6 66.5 -15.0 25 28 A E - 0 0 106 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.376 47.6-123.5 -65.6 146.0 12.9 64.4 -13.2 26 29 A I E +B 19 0A 57 -7,-0.2 53,-0.6 -3,-0.1 -7,-0.2 -0.778 39.3 167.3 -92.7 134.9 11.2 66.0 -10.3 27 30 A V E -BC 18 78A 3 -9,-2.7 -9,-2.7 -2,-0.4 2,-0.4 -0.792 36.0-111.5-133.6 172.5 11.4 64.1 -7.0 28 31 A A E -BC 17 77A 10 49,-2.8 49,-3.6 -2,-0.2 2,-0.5 -0.967 27.8-159.2-106.8 137.1 10.8 64.7 -3.2 29 32 A L E -BC 16 76A 0 -13,-2.7 -13,-2.5 -2,-0.4 2,-0.6 -0.970 3.4-163.6-113.7 119.7 13.8 64.7 -0.9 30 33 A K E -BC 15 75A 9 45,-2.8 45,-2.7 -2,-0.5 2,-0.5 -0.929 12.5-152.3 -99.9 122.7 13.5 64.1 2.8 31 34 A R E -BC 14 74A 14 -17,-2.7 -17,-1.3 -2,-0.6 2,-0.5 -0.817 8.6-167.7 -94.9 132.3 16.5 65.2 4.8 32 35 A V E - C 0 73A 0 41,-3.0 41,-2.8 -2,-0.5 2,-0.3 -0.977 17.6-138.5-121.7 114.7 17.4 63.4 8.0 33 36 A R E - C 0 72A 137 -2,-0.5 3,-0.3 39,-0.2 39,-0.2 -0.588 13.6-168.4 -72.8 130.0 20.0 65.2 10.2 34 37 A L S S+ 0 0 6 37,-3.5 38,-0.2 -2,-0.3 -1,-0.1 0.627 82.1 51.3 -95.6 -21.7 22.4 62.7 11.7 35 38 A D S S+ 0 0 91 36,-0.7 -1,-0.2 4,-0.0 4,-0.1 -0.192 82.4 158.7-104.3 39.2 24.2 65.0 14.2 36 39 A D - 0 0 73 -3,-0.3 3,-0.2 2,-0.1 4,-0.1 -0.040 48.3-138.1 -64.5 164.7 20.9 66.3 15.8 37 40 A D S S+ 0 0 163 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.772 98.1 64.9 -86.3 -35.2 20.6 67.8 19.3 38 41 A D S S- 0 0 106 624,-0.0 3,-0.4 1,-0.0 -1,-0.2 -0.763 89.1-141.5 -96.4 85.9 17.4 65.8 19.8 39 42 A E S S+ 0 0 68 -2,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.011 70.1 52.8 -28.9 140.5 18.4 62.1 19.8 40 43 A G > + 0 0 2 621,-0.4 3,-2.0 -4,-0.1 621,-0.6 -0.661 67.0 93.6 134.5 -84.2 16.0 59.7 18.0 41 44 A V T >> S+ 0 0 24 -3,-0.4 4,-2.0 -2,-0.4 3,-0.6 0.598 82.0 60.3 -2.6 -62.9 15.0 60.6 14.4 42 45 A P H 3> S+ 0 0 11 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.941 99.8 59.7 -54.6 -41.5 17.6 58.5 12.5 43 46 A S H <> S+ 0 0 0 -3,-2.0 4,-1.6 618,-0.4 -2,-0.2 0.861 109.1 41.5 -49.1 -46.2 16.2 55.4 14.2 44 47 A S H <> S+ 0 0 11 -3,-0.6 4,-2.2 -4,-0.5 -1,-0.3 0.824 112.0 55.1 -76.6 -31.7 12.8 55.9 12.7 45 48 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.874 107.6 51.1 -63.9 -41.3 14.2 56.9 9.3 46 49 A L H X S+ 0 0 1 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.896 110.2 48.3 -65.8 -37.1 16.2 53.6 9.2 47 50 A R H X S+ 0 0 7 -4,-1.6 4,-2.2 -5,-0.2 5,-0.2 0.910 110.9 51.4 -68.9 -39.7 13.0 51.6 10.0 48 51 A E H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.935 109.6 49.4 -62.1 -46.7 11.2 53.6 7.3 49 52 A I H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.932 111.2 50.7 -56.0 -45.6 14.0 52.8 4.7 50 53 A C H < S+ 0 0 3 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.871 116.0 39.8 -62.0 -43.5 13.9 49.1 5.6 51 54 A L H >< S+ 0 0 0 -4,-2.2 3,-1.8 2,-0.2 -2,-0.2 0.950 114.1 52.1 -70.5 -46.7 10.2 48.8 5.2 52 55 A L H >< S+ 0 0 2 -4,-3.1 3,-1.2 1,-0.3 11,-0.3 0.797 101.6 60.8 -67.3 -28.5 9.9 51.0 2.1 53 56 A K T 3< S+ 0 0 60 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.716 111.3 42.7 -62.4 -22.8 12.6 49.0 0.2 54 57 A E T < S+ 0 0 54 -3,-1.8 2,-0.4 -4,-0.3 -1,-0.2 0.233 104.0 70.5-107.8 7.5 10.3 46.0 0.6 55 58 A L < + 0 0 0 -3,-1.2 2,-0.8 -4,-0.1 8,-0.2 -0.702 53.3 159.8-132.6 76.4 7.0 47.8 -0.3 56 59 A K + 0 0 130 -2,-0.4 2,-0.3 -3,-0.1 5,-0.1 -0.900 20.7 132.3-102.7 107.2 6.9 48.7 -3.9 57 60 A H > - 0 0 33 -2,-0.8 3,-2.4 3,-0.4 -2,-0.0 -0.978 65.8-114.1-153.4 148.1 3.3 49.3 -5.0 58 61 A K T 3 S+ 0 0 145 -2,-0.3 4,-0.1 1,-0.3 52,-0.1 0.761 117.5 47.5 -60.8 -24.5 1.7 52.1 -7.0 59 62 A N T 3 S+ 0 0 5 79,-0.1 80,-3.1 2,-0.1 2,-0.4 0.209 98.1 78.3-101.8 15.2 -0.3 53.2 -3.9 60 63 A I B < S-e 139 0B 0 -3,-2.4 -3,-0.4 78,-0.3 80,-0.2 -0.983 97.4-100.4-118.6 133.8 2.6 53.2 -1.5 61 64 A V - 0 0 6 78,-2.9 2,-0.7 -2,-0.4 -6,-0.1 -0.333 44.5-124.1 -55.1 131.6 5.0 56.2 -1.7 62 65 A R - 0 0 81 -4,-0.1 16,-1.7 -6,-0.1 2,-0.6 -0.725 15.4-154.6 -95.5 116.2 8.0 55.1 -3.6 63 66 A L E +D 77 0A 20 -2,-0.7 14,-0.3 -11,-0.3 3,-0.1 -0.731 14.2 177.8 -80.7 120.4 11.5 55.3 -2.2 64 67 A H E - 0 0 93 12,-2.7 2,-0.3 -2,-0.6 13,-0.2 0.840 58.9 -22.7 -90.7 -34.8 13.9 55.6 -5.1 65 68 A D E -D 76 0A 74 11,-1.3 11,-2.8 2,-0.0 2,-0.4 -0.983 47.4-131.5-171.7 167.4 17.2 55.9 -3.3 66 69 A V E -D 75 0A 32 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.995 20.8-163.7-141.7 124.8 19.0 56.9 -0.1 67 70 A L E -D 74 0A 32 7,-2.4 7,-3.6 -2,-0.4 2,-0.6 -0.923 7.2-159.6-114.7 140.5 22.0 59.2 -0.0 68 71 A H E +D 73 0A 39 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.934 34.7 137.5-119.4 104.5 24.5 59.6 2.8 69 72 A S E > -D 72 0A 36 3,-1.9 3,-1.3 -2,-0.6 -2,-0.1 -0.995 59.2 -6.9-150.4 148.4 26.4 62.9 2.6 70 73 A D T 3 S- 0 0 82 -2,-0.3 2,-1.2 1,-0.2 -1,-0.0 -0.122 123.5 -39.0 51.6-161.9 27.4 65.5 5.0 71 74 A K T 3 S+ 0 0 109 -3,-0.1 -37,-3.5 -36,-0.0 -36,-0.7 -0.040 121.2 90.2 -90.1 42.9 25.9 64.8 8.4 72 75 A K E < -CD 33 69A 44 -3,-1.3 -3,-1.9 -2,-1.2 2,-0.5 -0.986 66.0-140.4-141.9 151.3 22.6 63.8 6.7 73 76 A L E -CD 32 68A 2 -41,-2.8 -41,-3.0 -2,-0.3 2,-0.6 -0.897 24.2-157.2 -91.9 127.1 20.6 61.0 5.3 74 77 A T E -CD 31 67A 0 -7,-3.6 -7,-2.4 -2,-0.5 2,-0.5 -0.900 2.8-162.7-111.4 106.0 18.7 62.0 2.1 75 78 A L E -CD 30 66A 0 -45,-2.7 -45,-2.8 -2,-0.6 2,-0.6 -0.732 7.8-154.1 -84.3 120.7 15.7 59.9 1.2 76 79 A V E +CD 29 65A 1 -11,-2.8 -12,-2.7 -2,-0.5 -11,-1.3 -0.884 21.4 171.5 -97.2 119.0 14.6 60.3 -2.5 77 80 A F E -CD 28 63A 13 -49,-3.6 -49,-2.8 -2,-0.6 -14,-0.2 -0.806 42.4 -88.6-116.5 166.0 10.9 59.7 -3.2 78 81 A E E -C 27 0A 35 -16,-1.7 2,-0.4 -2,-0.3 -51,-0.2 -0.437 56.6-107.8 -61.3 149.2 8.6 60.1 -6.1 79 82 A F - 0 0 35 -53,-0.6 2,-0.4 -2,-0.1 -1,-0.1 -0.674 35.0-174.1 -88.9 131.4 7.1 63.6 -5.9 80 83 A C - 0 0 12 -2,-0.4 52,-0.2 52,-0.1 57,-0.0 -0.999 20.4-142.0-123.3 137.5 3.4 64.1 -4.9 81 84 A D S S- 0 0 80 -2,-0.4 2,-0.3 50,-0.2 51,-0.2 0.725 72.2 -0.5 -66.5 -33.3 1.9 67.6 -5.0 82 85 A Q E -F 131 0B 41 49,-1.4 49,-2.4 4,-0.0 2,-0.2 -0.954 59.9-119.6-154.2 164.3 -0.2 67.5 -1.9 83 86 A D E > -F 130 0B 47 -2,-0.3 4,-2.0 47,-0.2 47,-0.2 -0.686 44.4-100.7-103.6 169.2 -1.5 65.5 1.0 84 87 A L H > S+ 0 0 1 45,-2.1 4,-2.8 42,-1.3 43,-0.2 0.839 120.9 59.8 -61.5 -31.5 -5.2 64.7 1.6 85 88 A K H > S+ 0 0 60 41,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.953 108.5 42.0 -59.3 -49.8 -5.5 67.6 4.2 86 89 A K H > S+ 0 0 124 1,-0.2 4,-2.8 -3,-0.2 -1,-0.2 0.885 111.7 56.5 -66.2 -36.6 -4.5 70.2 1.6 87 90 A Y H X S+ 0 0 44 -4,-2.0 4,-1.1 2,-0.2 6,-0.3 0.907 104.4 51.9 -60.3 -44.9 -6.7 68.5 -0.9 88 91 A F H ><>S+ 0 0 11 -4,-2.8 5,-3.1 1,-0.2 3,-0.5 0.922 112.2 47.3 -58.7 -44.4 -9.7 68.9 1.4 89 92 A D H ><5S+ 0 0 117 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.860 107.4 56.8 -61.2 -41.1 -8.8 72.6 1.7 90 93 A S H 3<5S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 114.7 36.6 -64.3 -22.6 -8.4 73.0 -2.1 91 94 A C T X<5S- 0 0 36 -4,-1.1 3,-2.3 -3,-0.5 -1,-0.2 0.054 113.2-102.5-128.7 31.5 -11.9 71.8 -2.8 92 95 A N T < 5S- 0 0 151 -3,-1.0 -3,-0.2 1,-0.3 -4,-0.1 0.758 71.6 -74.0 61.6 25.8 -14.0 73.2 -0.0 93 96 A G T 3 > - 0 0 94 -2,-0.4 4,-2.2 1,-0.1 3,-0.7 -0.492 34.2-114.3 -61.8 144.2 -17.4 64.1 -6.0 97 100 A P H 3> S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.747 115.5 57.6 -55.3 -28.6 -18.6 60.6 -5.1 98 101 A E H 3> S+ 0 0 103 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.866 107.9 46.6 -73.3 -35.4 -16.5 59.0 -7.8 99 102 A I H <> S+ 0 0 59 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.902 109.2 54.9 -68.9 -43.5 -13.3 60.6 -6.3 100 103 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 113.1 42.9 -47.2 -53.5 -14.4 59.5 -2.8 101 104 A K H X S+ 0 0 38 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.907 113.2 52.0 -63.0 -47.4 -14.6 55.9 -4.2 102 105 A S H X S+ 0 0 28 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.898 111.2 46.7 -54.5 -43.9 -11.4 56.3 -6.2 103 106 A F H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.901 113.5 47.5 -71.6 -41.0 -9.4 57.5 -3.1 104 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.911 111.2 53.4 -61.6 -43.6 -10.8 54.7 -0.8 105 108 A F H X S+ 0 0 13 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.950 112.1 42.4 -56.2 -50.8 -10.0 52.2 -3.5 106 109 A Q H X S+ 0 0 19 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.899 112.4 54.5 -66.2 -41.4 -6.4 53.2 -3.8 107 110 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 110.0 46.9 -57.8 -45.8 -6.0 53.5 -0.1 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.838 110.2 53.1 -66.1 -34.7 -7.3 49.9 0.3 109 112 A K H X S+ 0 0 64 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.937 112.3 43.5 -64.5 -47.5 -5.0 48.6 -2.4 110 113 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.909 117.9 45.8 -63.1 -42.0 -1.9 50.1 -0.8 111 114 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.937 110.5 53.5 -69.4 -44.1 -3.0 48.9 2.7 112 115 A G H X S+ 0 0 18 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.869 109.0 49.9 -52.7 -48.0 -3.9 45.5 1.3 113 116 A F H X S+ 0 0 39 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.930 111.2 48.4 -55.9 -53.4 -0.4 45.3 -0.1 114 117 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.0 1,-0.2 3,-0.8 0.941 113.3 46.6 -51.4 -54.9 1.3 46.3 3.3 115 118 A H H ><5S+ 0 0 22 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.873 109.6 53.1 -61.4 -38.9 -0.8 43.8 5.3 116 119 A S H 3<5S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.716 109.5 51.0 -69.7 -18.0 -0.1 40.9 2.8 117 120 A R T <<5S- 0 0 116 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.299 123.2-109.3 -95.0 5.3 3.6 41.8 3.2 118 121 A N T < 5S+ 0 0 34 -3,-1.7 30,-2.0 1,-0.2 2,-0.4 0.881 74.4 133.6 66.3 40.3 3.2 41.6 7.0 119 122 A V E < -H 147 0C 0 -5,-2.0 2,-0.5 28,-0.2 28,-0.3 -0.987 43.4-153.8-120.2 130.9 3.6 45.3 7.7 120 123 A L E -H 146 0C 0 26,-3.3 26,-2.2 -2,-0.4 58,-0.1 -0.901 1.1-160.6 -96.6 131.4 1.3 47.4 9.9 121 124 A H - 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0 0 76 -2,-1.2 6,-0.1 -3,-0.3 -3,-0.1 -0.858 49.5-146.3 -96.2 131.4 47.7 6.7 53.1 543 269 B C S S+ 0 0 15 -2,-0.4 -98,-0.5 -99,-0.1 -1,-0.1 0.949 88.4 72.8 -62.2 -45.7 50.2 7.2 56.0 544 270 B N S > S- 0 0 15 1,-0.2 3,-2.0 -44,-0.1 4,-0.4 -0.574 80.0-149.5 -68.6 111.8 51.5 3.7 55.8 545 271 B P G > S+ 0 0 21 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.814 94.8 65.5 -57.1 -30.2 53.6 3.8 52.6 546 272 B V G 3 S+ 0 0 127 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.750 98.9 52.9 -60.6 -26.1 52.7 0.1 52.0 547 273 B Q G < S+ 0 0 81 -3,-2.0 2,-0.4 -47,-0.1 -1,-0.2 0.486 82.6 110.2 -94.3 -3.7 49.0 1.1 51.5 548 274 B R S < S- 0 0 16 -3,-1.3 -8,-0.2 -4,-0.4 -9,-0.1 -0.578 73.8-119.2 -74.4 123.5 49.7 3.8 48.8 549 275 B I - 0 0 23 -10,-2.2 2,-0.1 -2,-0.4 -7,-0.1 -0.279 31.6-118.4 -50.8 139.1 48.5 2.8 45.3 550 276 B S > - 0 0 47 1,-0.1 4,-1.9 -91,-0.0 5,-0.1 -0.407 22.9-108.0 -72.7 165.1 51.3 2.7 42.8 551 277 B A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.919 120.6 51.3 -57.5 -42.7 51.4 5.0 39.7 552 278 B E H > S+ 0 0 141 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.929 112.1 44.6 -63.7 -49.7 50.6 2.0 37.5 553 279 B E H 4 S+ 0 0 107 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.810 110.6 55.6 -63.3 -32.0 47.6 0.9 39.5 554 280 B A H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 6,-0.2 0.868 100.9 56.7 -69.4 -39.3 46.4 4.6 39.8 555 281 B L H 3< S+ 0 0 47 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.724 107.7 50.9 -60.0 -24.9 46.3 5.0 36.0 556 282 B Q T 3< S+ 0 0 133 -4,-0.7 -1,-0.3 -3,-0.2 -2,-0.2 0.467 84.2 121.4 -91.7 -4.0 44.0 2.0 36.0 557 283 B H S X S- 0 0 14 -3,-1.6 3,-2.0 1,-0.1 -3,-0.1 -0.254 78.6-117.4 -58.7 146.2 41.8 3.6 38.7 558 284 B P G > S+ 0 0 84 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.859 108.9 81.0 -50.6 -34.5 38.2 4.0 37.5 559 285 B Y G 3 S+ 0 0 6 -27,-0.3 -26,-0.1 1,-0.3 -4,-0.1 0.719 94.8 46.1 -40.3 -30.1 38.8 7.8 37.9 560 286 B F G < 0 0 28 -3,-2.0 -1,-0.3 -6,-0.2 -3,-0.1 0.086 360.0 360.0-105.0 19.5 40.5 7.6 34.4 561 287 B S < 0 0 147 -3,-2.9 -4,-0.0 -5,-0.0 -5,-0.0 0.075 360.0 360.0 -73.3 360.0 38.0 5.5 32.5 562 !* 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 0.0 563 145 D Q 0 0 70 0, 0.0 145,-0.0 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-163.0 17.2 26.6 25.6 564 146 D A + 0 0 77 4,-0.1 2,-0.2 5,-0.0 144,-0.0 0.508 360.0 99.1 -94.2 -4.5 14.1 29.0 25.5 565 147 D S S > S- 0 0 60 1,-0.1 4,-2.0 51,-0.1 5,-0.2 -0.501 77.7-123.9 -90.2 151.7 15.6 31.6 27.9 566 148 D T H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.855 109.5 53.9 -57.6 -39.4 17.2 34.9 27.0 567 149 D S H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.900 109.2 48.0 -67.1 -45.0 20.4 34.1 28.9 568 150 D E H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 113.9 45.5 -55.6 -48.5 21.0 30.8 27.1 569 151 D L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.870 110.4 54.6 -71.3 -34.5 20.4 32.3 23.6 570 152 D L H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.884 109.4 48.6 -62.8 -35.2 22.7 35.3 24.5 571 153 D R H X S+ 0 0 91 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.933 109.8 50.2 -73.3 -44.2 25.3 32.7 25.4 572 154 D C H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.935 111.9 50.0 -52.0 -49.0 24.7 30.8 22.1 573 155 D L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.927 110.7 49.1 -57.3 -43.4 25.1 34.1 20.3 574 156 D G H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.888 111.9 48.2 -64.6 -39.9 28.3 34.9 22.2 575 157 D E H X S+ 0 0 56 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.876 108.6 54.9 -70.9 -35.5 29.7 31.4 21.4 576 158 D F H X S+ 0 0 10 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.908 107.4 50.2 -60.3 -42.0 28.8 32.0 17.8 577 159 D L H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.874 108.5 50.6 -68.0 -39.8 30.8 35.3 17.7 578 160 D C H < S+ 0 0 38 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.852 114.7 45.5 -63.3 -39.5 34.0 33.8 19.2 579 161 D R H < S+ 0 0 140 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.911 115.3 44.9 -70.6 -45.2 33.8 31.0 16.6 580 162 D R H < S+ 0 0 73 -4,-2.6 2,-2.0 1,-0.2 -2,-0.2 0.973 109.7 56.5 -61.3 -49.4 33.1 33.3 13.6 581 163 D C >< + 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 -0.481 66.3 165.7 -90.9 70.7 35.8 35.9 14.6 582 164 D Y T 3 + 0 0 125 -2,-2.0 -1,-0.2 50,-0.3 51,-0.1 0.675 66.3 64.7 -62.8 -20.8 38.7 33.5 14.6 583 165 D R T 3 S+ 0 0 128 49,-0.6 2,-1.5 51,-0.3 -1,-0.3 0.696 80.6 87.3 -76.2 -15.5 41.3 36.3 14.7 584 166 D L X + 0 0 18 -3,-1.7 3,-0.9 1,-0.2 -1,-0.2 -0.614 51.9 172.3 -91.6 85.6 40.2 37.6 18.0 585 167 D K T 3 S+ 0 0 156 -2,-1.5 -1,-0.2 1,-0.2 -2,-0.0 0.676 75.2 43.3 -67.6 -24.6 42.3 35.4 20.4 586 168 D H T 3 S+ 0 0 163 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.328 80.9 122.2-109.5 7.0 41.3 37.3 23.7 587 169 D L < - 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0 0 27 -2,-0.8 4,-1.7 -49,-0.1 5,-0.2 -0.841 68.7 -92.0-137.2 169.8 13.9 38.9 24.8 616 198 D P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 3,-0.2 0.930 123.6 49.3 -54.8 -48.8 14.3 35.5 23.1 617 199 D A H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 111.3 48.5 -61.5 -37.9 12.7 36.6 19.8 618 200 D N H > S+ 0 0 17 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.835 107.6 53.9 -75.0 -29.3 14.8 39.7 19.5 619 201 D V H X S+ 0 0 3 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.889 110.0 49.0 -67.1 -42.9 18.1 37.8 20.2 620 202 D V H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.924 110.9 50.1 -55.5 -49.9 17.1 35.4 17.3 621 203 D F H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.923 112.3 47.2 -54.4 -46.3 16.5 38.5 15.2 622 204 D L H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.906 110.6 52.3 -62.4 -43.6 19.9 39.9 16.2 623 205 D Y H X S+ 0 0 6 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.899 103.6 57.3 -65.3 -40.1 21.6 36.6 15.5 624 206 D M H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.917 111.0 43.1 -54.5 -45.1 20.1 36.5 12.0 625 207 D L H >X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 3,-0.6 0.968 115.0 50.5 -62.4 -50.9 21.7 39.9 11.3 626 208 D C H 3X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 3,-0.3 0.894 103.3 56.9 -57.0 -47.8 25.0 38.9 12.8 627 209 D R H 3< S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 118.7 33.4 -55.4 -37.1 25.4 35.6 11.0 628 210 D D H << S+ 0 0 62 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.684 125.3 39.1 -90.6 -20.0 25.2 37.5 7.6 629 211 D V H < S+ 0 0 31 -4,-1.9 2,-0.6 -3,-0.3 -3,-0.2 0.808 91.0 84.8-100.8 -41.7 26.9 40.8 8.5 630 212 D I S < S- 0 0 2 -4,-2.2 2,-0.1 -5,-0.3 -1,-0.1 -0.583 72.8-138.6 -78.5 114.8 29.8 40.0 10.8 631 213 D S > - 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0 0 3 -4,-1.6 -4,-0.0 -5,-0.6 5,-0.0 -0.156 62.4-129.0 -54.1 151.6 76.0 7.5 48.1 805 239 E N S S+ 0 0 25 -46,-0.1 -372,-0.6 -373,-0.1 -1,-0.1 0.842 91.9 76.5 -69.1 -36.0 73.5 7.4 50.9 806 240 E E S S- 0 0 42 -374,-0.1 3,-0.1 1,-0.1 -49,-0.0 -0.344 89.5-124.1 -74.7 158.0 73.8 11.2 51.2 807 241 E I S S+ 0 0 35 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.808 91.2 3.9 -73.7 -31.2 72.1 13.4 48.7 808 242 E S - 0 0 56 -488,-0.0 -1,-0.2 -487,-0.0 -2,-0.0 -0.971 61.7-152.3-147.9 165.4 75.5 15.1 47.8 809 243 E Y - 0 0 20 -2,-0.3 -489,-0.4 1,-0.1 -491,-0.2 -0.985 24.3-113.3-138.7 149.7 79.3 14.9 48.6 810 244 E P - 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -492,-0.0 0.244 14.6-135.3 -69.7-163.3 82.1 17.5 48.6 811 245 E L S >> S+ 0 0 22 -496,-0.1 3,-2.8 3,-0.1 4,-1.6 0.697 79.9 84.4-125.5 -44.2 85.1 17.7 46.2 812 246 E K T 34 S+ 0 0 140 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.735 91.1 51.1 -33.4 -51.7 88.2 18.4 48.2 813 247 E P T 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.652 114.9 44.8 -68.5 -13.6 88.9 14.8 49.2 814 248 E F T <4 S+ 0 0 15 -3,-2.8 2,-0.6 1,-0.1 -2,-0.2 0.827 90.3 82.1 -99.0 -40.4 88.7 13.6 45.6 815 249 E L < + 0 0 55 -4,-1.6 -25,-0.1 1,-0.2 5,-0.1 -0.606 40.6 149.3 -72.5 114.5 90.7 16.1 43.5 816 250 E V + 0 0 54 -2,-0.6 -1,-0.2 -30,-0.1 -26,-0.1 0.656 51.0 81.1-115.0 -35.4 94.4 15.2 43.8 817 251 E E S S- 0 0 41 1,-0.1 3,-0.1 2,-0.1 6,-0.0 -0.270 80.4-128.8 -64.3 156.8 95.5 16.5 40.3 818 252 E S S S+ 0 0 121 1,-0.2 2,-1.5 2,-0.0 3,-0.1 0.760 89.2 78.3 -86.8 -25.0 96.2 20.2 40.0 819 253 E C >> - 0 0 77 1,-0.2 3,-2.6 2,-0.1 4,-1.0 -0.602 57.0-175.2 -90.2 80.1 94.1 21.0 36.9 820 254 E K H >> S+ 0 0 46 -2,-1.5 4,-0.8 1,-0.3 3,-0.8 0.831 80.1 66.2 -36.5 -43.3 90.6 21.2 38.4 821 255 E E H 3> S+ 0 0 119 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.761 97.8 50.5 -55.8 -34.7 89.3 21.7 34.8 822 256 E A H <> S+ 0 0 32 -3,-2.6 4,-1.5 1,-0.2 -1,-0.3 0.798 96.9 68.8 -76.2 -30.4 90.3 18.2 33.7 823 257 E F H S+ 0 0 47 1,-0.2 4,-3.0 -4,-0.2 5,-0.3 0.826 113.4 60.1 -70.0 -30.4 73.4 3.0 31.4 837 271 E K H > S+ 0 0 58 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.834 103.5 52.7 -66.7 -31.5 75.7 0.6 33.2 838 272 E M H < S+ 0 0 0 -4,-2.2 4,-0.4 -3,-0.5 -1,-0.2 0.834 115.2 39.7 -73.3 -34.4 75.1 2.5 36.4 839 273 E L H >X S+ 0 0 20 -4,-1.2 4,-2.7 -5,-0.2 3,-0.8 0.905 114.5 50.2 -77.2 -45.9 71.3 2.3 36.1 840 274 E Q H 3X S+ 0 0 81 -4,-3.0 4,-2.8 1,-0.3 8,-0.2 0.897 103.9 59.9 -63.1 -40.1 71.1 -1.4 34.8 841 275 E I H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.791 113.7 38.9 -55.6 -29.5 73.4 -2.5 37.6 842 276 E N H <4 S+ 0 0 4 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.844 120.4 44.9 -83.6 -38.5 70.7 -1.2 39.9 843 277 E A H < S+ 0 0 40 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.647 110.6 56.0 -82.6 -14.1 67.8 -2.4 37.7 844 278 E D X - 0 0 69 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 -0.868 54.0-173.2-128.7 96.5 69.1 -5.9 37.0 845 279 E P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.764 91.1 58.0 -54.4 -26.6 70.0 -8.2 40.0 846 280 E H H > S+ 0 0 145 2,-0.2 4,-3.5 1,-0.2 5,-0.1 0.956 107.8 42.9 -72.9 -47.5 71.4 -10.6 37.4 847 281 E Y H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.855 113.6 53.6 -63.0 -39.1 73.9 -8.1 36.0 848 282 E F H >X S+ 0 0 33 -4,-2.6 4,-2.6 -8,-0.2 3,-0.6 0.986 114.0 40.7 -55.2 -57.8 74.7 -7.0 39.5 849 283 E T H 3< S+ 0 0 71 -4,-2.4 4,-0.4 1,-0.3 -2,-0.2 0.863 111.6 57.3 -63.1 -40.7 75.4 -10.7 40.5 850 284 E Q H 3< S+ 0 0 128 -4,-3.5 -1,-0.3 2,-0.2 -2,-0.2 0.864 112.5 40.7 -48.5 -43.7 77.2 -11.2 37.2 851 285 E V H << S+ 0 0 12 -4,-2.0 -2,-0.2 -3,-0.6 -1,-0.2 0.775 106.2 61.5 -81.1 -29.6 79.5 -8.2 38.1 852 286 E F S < S+ 0 0 149 -4,-2.6 2,-0.5 1,-0.3 -1,-0.2 0.626 104.7 59.4 -66.5 -9.7 79.7 -9.5 41.7 853 287 E S + 0 0 48 -4,-0.4 -1,-0.3 -5,-0.3 3,-0.1 -0.825 65.9 113.4-118.8 85.3 81.2 -12.4 39.7 854 288 E D S S+ 0 0 70 -2,-0.5 2,-0.2 -3,-0.2 -1,-0.1 0.599 87.0 25.2-128.2 -25.7 84.2 -11.1 37.8 855 289 E L S S+ 0 0 107 -3,-0.2 -1,-0.1 2,-0.0 4,-0.0 -0.716 101.0 90.6-128.9 83.6 87.2 -12.9 39.4 856 290 E K S S+ 0 0 127 -2,-0.2 -3,-0.1 -3,-0.1 -4,-0.0 0.432 98.2 7.1-128.4 -76.6 85.5 -16.0 40.7 857 291 E N S S+ 0 0 125 2,-0.1 2,-0.1 -4,-0.0 -2,-0.0 0.758 94.8 110.0 -85.8 -29.9 85.4 -19.0 38.3 858 292 E E 0 0 164 1,-0.1 -4,-0.0 -4,-0.0 0, 0.0 -0.313 360.0 360.0 -54.1 117.6 87.7 -17.6 35.5 859 293 E S 0 0 137 -2,-0.1 -1,-0.1 -4,-0.0 -2,-0.1 0.024 360.0 360.0-153.3 360.0 90.9 -19.6 35.6